From b7d56c2df1cdf92a5eadb991fd636ca3cbfea5ed Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Mon, 5 Oct 2020 17:30:21 +0200
Subject: [PATCH 01/11] Add new data from XLS file

---
 docs/examples/other/xls-addon.tex             | 452 ++++++++++++++++++
 .../abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat |  11 +
 .../abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat  |  12 +
 .../abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat  |  12 +
 ...dehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  12 +
 ...etaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  12 +
 .../abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat  |  12 +
 .../data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat   |  17 +
 .../data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat |  15 +
 .../data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat  |  17 +
 .../data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat  |  17 +
 ...cetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  17 +
 .../acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |  17 +
 .../data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat  |  17 +
 .../abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat    |  12 +
 .../abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat     |  15 +
 .../abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat     |  15 +
 ...tylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  15 +
 .../acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  15 +
 .../abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat     |  15 +
 .../data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat  |  18 +
 .../abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat     |  14 +
 .../data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat |  17 +
 .../data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat |  18 +
 ...rolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  18 +
 .../acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  |  18 +
 .../data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat |  18 +
 .../data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat |  14 +
 .../data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat  |  15 +
 .../data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat  |  15 +
 ...mmonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  15 +
 .../ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |  15 +
 .../data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat  |  15 +
 .../data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat   |  18 +
 .../data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat |  15 +
 .../data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat  |  18 +
 .../data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat  |  18 +
 ...enzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  18 +
 .../benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |  18 +
 .../data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat  |  18 +
 .../data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat |  19 +
 .../abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat    |  15 +
 .../abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat     |  19 +
 .../abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat     |  19 +
 ...adiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  19 +
 .../butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  19 +
 .../abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat     |  19 +
 .../carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat  |  16 +
 .../carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat   |  21 +
 .../carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat   |  21 +
 ...noxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  21 +
 ...n_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  21 +
 .../carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat   |  21 +
 .../carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat |  11 +
 .../carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat  |  12 +
 .../carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat  |  12 +
 ...uoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  12 +
 ...ylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  12 +
 .../carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat  |  12 +
 static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat |  12 +
 static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat  |  14 +
 static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat  |  14 +
 .../ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  |  14 +
 .../abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  |  14 +
 static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat  |  14 +
 static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat |  11 +
 static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat  |  11 +
 .../cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  |  11 +
 .../abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat   |  12 +
 static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat   |  12 +
 .../cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   |  12 +
 .../abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |  12 +
 static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat   |  12 +
 .../abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat |  14 +
 .../cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat   |  12 +
 .../cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat    |  14 +
 .../cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat    |  14 +
 ...tylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  14 +
 ...oacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  14 +
 .../cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat    |  14 +
 .../cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat  |  14 +
 ...cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat |  12 +
 .../cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat |  14 +
 .../cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat |  14 +
 ...dehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  14 +
 ...rmaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  14 +
 .../cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat |  14 +
 .../data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat  |  13 +
 .../abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat     |  12 +
 .../data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat |  13 +
 .../data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat |  13 +
 ...anogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  13 +
 .../cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  |  13 +
 .../data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat |  13 +
 .../cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat    |  20 +
 .../cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat  |  16 +
 .../cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat   |  20 +
 .../cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat   |  20 +
 ...adiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  20 +
 ...pentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  20 +
 .../cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat   |  20 +
 .../abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat |  12 +
 .../abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat  |  14 +
 .../abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat  |  14 +
 ...ropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  14 +
 ...clopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  14 +
 .../abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat  |  14 +
 .../cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat |  20 +
 ...yclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat |  16 +
 ...cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat |  20 +
 ...cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat |  20 +
 ...thione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  20 +
 ...penethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  20 +
 ...cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat |  20 +
 .../abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat |  21 +
 .../cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat   |  15 +
 .../cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat    |  21 +
 .../cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat    |  21 +
 ...penone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  21 +
 ...opropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  21 +
 .../cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat    |  21 +
 .../abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat    |  14 +
 .../abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat  |  12 +
 .../abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat   |  14 +
 .../abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat   |  14 +
 ...tylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  14 +
 ...iacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  14 +
 .../abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat   |  14 +
 .../abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat |  13 +
 .../abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat  |  17 +
 .../abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat  |  17 +
 ...ethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  17 +
 ...azomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  17 +
 .../abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat  |  17 +
 .../difluorodiazieine_ADC(2)_aug-cc-pVTZ.dat  |  16 +
 ...difluorodiazieine_ADC(2.5)_aug-cc-pVTZ.dat |  16 +
 .../difluorodiazieine_ADC(3)_aug-cc-pVTZ.dat  |  16 +
 .../abs/difluorodiazieine_CC2_aug-cc-pVTZ.dat |  16 +
 .../abs/difluorodiazieine_CC3_aug-cc-pVTZ.dat |  16 +
 ...difluorodiazieine_CCCSDT-3_aug-cc-pVTZ.dat |  13 +
 .../difluorodiazieine_CCSD(2)_aug-cc-pVTZ.dat |  16 +
 ...difluorodiazieine_CCSDR(3)_aug-cc-pVTZ.dat |  13 +
 .../difluorodiazieine_CCSD_aug-cc-pVTZ.dat    |  16 +
 .../difluorodiazieine_CIS(D)_aug-cc-pVTZ.dat  |  16 +
 .../difluorodiazieine_SCS-CC2_aug-cc-pVTZ.dat |  16 +
 ...zieine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  16 +
 ...odiazieine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  16 +
 .../difluorodiazieine_SOS-CC2_aug-cc-pVTZ.dat |  16 +
 ...fluorodiazieine_STEOM-CCSD_aug-cc-pVTZ.dat |  13 +
 .../abs/difluorodiazieine_TBE_aug-cc-pVTZ.dat |  16 +
 .../abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat   |  16 +
 .../abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat    |  21 +
 .../abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat    |  21 +
 ...trogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  21 +
 ...dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  21 +
 .../abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat    |  21 +
 .../abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat     |  13 +
 .../data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat |  16 +
 .../data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat |  16 +
 ...hylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  16 +
 .../ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  |  16 +
 .../data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat |  16 +
 .../abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat |  17 +
 .../abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat  |  23 +
 .../abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat  |  23 +
 ...dehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  23 +
 ...rmaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  23 +
 .../abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat  |  23 +
 .../abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat    |  11 +
 .../abs/formamide_CCSD(2)_aug-cc-pVTZ.dat     |  13 +
 .../abs/formamide_SCS-CC2_aug-cc-pVTZ.dat     |  13 +
 ...mamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  13 +
 .../formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  13 +
 .../abs/formamide_SOS-CC2_aug-cc-pVTZ.dat     |  13 +
 .../formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat   |  11 +
 .../formylfluoride_CCSD(2)_aug-cc-pVTZ.dat    |  12 +
 .../formylfluoride_SCS-CC2_aug-cc-pVTZ.dat    |  12 +
 ...uoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  12 +
 ...ylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  12 +
 .../formylfluoride_SOS-CC2_aug-cc-pVTZ.dat    |  12 +
 static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat  |  20 +
 .../data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat   |  15 +
 static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat |  20 +
 static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat |  20 +
 .../furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  20 +
 .../abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  20 +
 static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat |  20 +
 .../data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat   |  19 +
 .../data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat |  15 +
 .../data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat  |  18 +
 .../data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat  |  18 +
 ...lyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  18 +
 .../glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |  18 +
 .../data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat  |  18 +
 static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat |  11 +
 static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat  |  11 +
 .../hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  |  11 +
 .../abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat   |  11 +
 static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat   |  11 +
 .../hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   |  11 +
 .../abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |  11 +
 static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat   |  11 +
 static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat  |  12 +
 static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat   |  14 +
 static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat   |  14 +
 .../hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   |  14 +
 .../abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |  14 +
 static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat   |  14 +
 static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat   |  11 +
 static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat   |  11 +
 .../hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   |  11 +
 .../abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |  11 +
 static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat   |  11 +
 static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat   |  11 +
 static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat   |  11 +
 .../hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   |  11 +
 .../abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |  11 +
 static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat   |  11 +
 static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat |  11 +
 static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat  |  11 +
 .../hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  |  11 +
 .../abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  |  11 +
 static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat  |  11 +
 ...hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat |  11 +
 .../hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat |  11 +
 .../hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat |  11 +
 ...loride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  11 +
 ...n_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  11 +
 .../hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat |  11 +
 .../hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat |  12 +
 .../hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat  |  14 +
 .../hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat  |  14 +
 ...ulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  14 +
 ...en_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  14 +
 .../hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat  |  14 +
 .../data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat |  17 +
 .../abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat    |  14 +
 .../abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat     |  17 +
 .../abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat     |  17 +
 ...dazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  17 +
 .../imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  17 +
 .../abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat     |  17 +
 .../data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat |  13 +
 .../abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat    |  12 +
 .../abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat     |  13 +
 .../abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat     |  13 +
 ...butene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  13 +
 .../isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  13 +
 .../abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat     |  13 +
 .../data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat  |  13 +
 .../data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat   |  17 +
 .../data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat   |  17 +
 ...ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  17 +
 .../ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    |  17 +
 .../data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat   |  17 +
 .../abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat  |  11 +
 .../abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat   |  12 +
 .../abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat   |  12 +
 ...nimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  12 +
 ...ethanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  12 +
 .../abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat   |  12 +
 ...thylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat |  16 +
 ...ylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat |  14 +
 ...hylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat |  16 +
 ...hylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat |  16 +
 ...ropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  16 +
 ...clopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  16 +
 ...hylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat |  16 +
 .../nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat   |  13 +
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 ...ethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  14 +
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 ...razine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  25 +
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 .../abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat     |  20 +
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 ...dazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  21 +
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 ...dehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  11 +
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 ...dehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |  11 +
 ...rmaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |  11 +
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 create mode 100644 docs/examples/other/xls-addon.tex
 create mode 100644 static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
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 create mode 100644 static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
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 create mode 100644 static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat
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 create mode 100644 static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat
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 create mode 100644 static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat
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 create mode 100644 static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
 create mode 100644 static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat
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 create mode 100644 static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
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 create mode 100644 static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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 create mode 100644 static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
 create mode 100644 static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
 create mode 100644 static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
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 create mode 100644 static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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 create mode 100644 static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
 create mode 100644 static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
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 create mode 100644 static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
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diff --git a/docs/examples/other/xls-addon.tex b/docs/examples/other/xls-addon.tex
new file mode 100644
index 00000000..08f03dd6
--- /dev/null
+++ b/docs/examples/other/xls-addon.tex
@@ -0,0 +1,452 @@
+\begin{dfbOptions}
+  \format{fromXLSToLaTeX}
+
+  \initialState[Acetaldehyde]{^1A^\prime}
+  \initialState[Acetylene]{^1\Sigma_g}
+  \initialState[Carbon monoxide]{^1\Sigma^+}
+  \initialState[Dinitrogen]{^1\Sigma_g}
+  \initialState[Ethylene]{^1A_g}
+  \initialState[Formamide]{^1A^\prime}
+  \initialState[Hydrogen chloride]{^1\Sigma^+}
+  \initialState[Methanimine]{^1A^\prime}
+  \initialState[Nitrosomethane]{^1A^\prime}
+  
+  \initialState[Acrolein]{^1A^\prime}
+  \initialState[Benzene]{^1A_{1g}}
+  \initialState[Butadiene]{^1A_g}
+  \initialState[Cyanoacetylene]{^1\Sigma^+}}
+  \initialState[Cyanoformaldehyde]{^1A^\prime}
+  \initialState[Cyanogen]{^1\Sigma_g^+}
+  \initialState[Diacetylene]{^1A^\prime}
+  \initialState[Glyoxal]{^1A_g}
+  \initialState[Imidazole]{^1A^\prime}
+  \initialState[Propynal]{^1A^\prime}
+  \initialState[Pyrazine]{^1A_g}
+  \initialState[Tetrazine]{^1A_g}
+  \initialState[Thiopropynal]{^1A^\prime}
+  \initialState[Triazine]{^1A_1^\prime}
+
+  \initialState[\ce{CClF}]{^1A^\prime}
+  \initialState[Formylfluoride]{^1A^\prime}
+  \initialState[\ce{HCCl}]{^1A^\prime}
+  \initialState[\ce{HCF}]{^1A^\prime}
+  \initialState[\ce{HCP}]{^1\Sigma^+}
+  \initialState[\ce{HPO}]{^1A^\prime}
+  \initialState[\ce{HPS}]{^1A^\prime}
+  \initialState[\ce{HSiF}]{^1A^\prime}
+
+	\initialState[\ce{CClF}]{^1A^\prime}
+	\initialState[Formylfluoride]{^1A^\prime}
+	\initialState[\ce{HCCl}]{^1A^\prime}
+	\initialState[\ce{HCF}]{^1A^\prime}
+	\initialState[\ce{HCP}]{^1\Sigma^+}
+	\initialState[\ce{HPO}]{^1A^\prime}
+	\initialState[\ce{HPS}]{^1A^\prime}
+  \initialState[\ce{HSiF}]{^1A^\prime}
+  
+  \format{exoticcolumn}
+  \initialState[Allyl]{^2A_2}
+  \initialState[\ce{BeF}]{^2\Sigma^+}
+  \initialState[\ce{BeF}]{^2\Sigma^+}
+  \initialState[\ce{BeH}]{^2\Sigma^+}
+  \initialState[\ce{CH}]{^2\Pi}
+  \initialState[\ce{CH3}]{^2A_2^{\prime\prime}}
+  \initialState[\ce{CN}]{^2\Sigma^+}
+  \initialState[\ce{CNO}]{^2\Sigma^+}
+  \initialState[\ce{CO+}]{^2\Sigma^+}
+  \initialState[\ce{F2BO}]{^2B_2}
+  \initialState[\ce{H2BO}]{^2B_2}
+  \initialState[\ce{HCO}]{^2A^\prime}
+  \initialState[\ce{HOC}]{^2A^\prime}
+  \initialState[\ce{H2PO}]{^2A^\prime}
+  \initialState[\ce{H2PS}]{^2A^\prime}
+  \initialState[\ce{NCO}]{^2\Pi}
+  \initialState[\ce{NH2}]{^2B_1}
+  \initialState[Nitromethyl]{^2B_1}  
+  \initialState[\ce{NO}]{^2B_1}
+  \initialState[\ce{OH}]{^2\Pi}
+  \initialState[\ce{PH2}]{^2B_1}
+  \initialState[Vinyl]{^2A^{\prime\prime}}
+\end{dfbOptions}
+
+\begin{tabular}
+ & Molecule & Size & Group & State & S/T & V/R & Type & $\%T_1$ [CC3] & $f$ [CC3] & TBE & Method & Safe ? &  & CIS(D) & CC2 & CCSD(2) & STEOM-CCSD & CCSD & CCSDR(3) & CCCSDT-3 & CC3 & SOS-ADC(2) [TM] & SOS-CC2 & SCS-CC2 & SOS-ADC(2) [Q-Chem] & ADC(2) & ADC(3) & ADC(2.5) \\
+1 & Acetaldehyde & 3 & 13 & $^1A^{\prime\prime}$  & 1 & V & npi & 91.3 & 0.000 & 4.31 & exFCI/AVTZ & Y &  & 4.36 & 4.41 & 4.31 & 4.25 & 4.36 & 4.31 & 4.32 & 4.31 & 4.39 & 4.54 & 4.50 & 4.18 & 4.24 & 4.29 & 4.27 \\
+2 &  & 3 & 13 & $^3A^{\prime\prime}$  & 3 & V & npi & 97.9 &  & 3.97 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 3.96 & 3.98 & 3.92 & 3.95 & 3.95 &  &  & 3.95 & 4.07 & 4.20 & 4.13 & 3.89 & 3.83 & 3.89 & 3.86 \\
+3 & Acetone & 4 & 4 & $^1A_2$   & 1 & V & npi & 91.1 &  & 4.47 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 4.51 & 4.55 & 4.52 & 4.40 & 4.54 & 4.48 & 4.49 & 4.48 & 4.52 & 4.68 & 4.64 & 4.31 & 4.37 & 4.50 & 4.44 \\
+4 &  & 4 & 4 & $^1B_2$   & 1 & R & n3s & 90.5 & 0.000 & 6.46 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 5.91 & 5.91 & 6.60 & 6.62 & 6.59 & 6.46 & 6.50 & 6.43 & 6.64 & 6.59 & 6.37 & 6.34 & 5.87 & 6.91 & 6.39 \\
+5 &  & 4 & 4 & $^1A_2$   & 1 & R & n3p & 90.9 &  & 7.47 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.83 & 6.84 & 7.60 &  & 7.57 & 7.47 & 7.51 & 7.45 & 7.47 & 7.51 & 7.29 & 7.27 & 6.81 & 7.90 & 7.36 \\
+6 &  & 4 & 4 & $^1A_1$   & 1 & R & n3p & 90.6 & 0.004 & 7.51 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 7.04 & 6.89 & 7.65 & 7.68 & 7.63 & 7.52 & 7.55 & 7.48 & 7.52 & 7.56 & 7.33 & 7.32 & 6.85 & 7.92 & 7.39 \\
+7 &  & 4 & 4 & $^1B_2$   & 1 & R & n3p & 91.2 & 0.029 & 7.62 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.93 & 7.02 & 7.74 &  & 7.72 & 7.61 & 7.65 & 7.59 & 7.61 & 7.64 & 7.43 & 7.41 & 6.99 & 8.01 & 7.50 \\
+8 &  & 4 & 4 & $^3A_2$   & 3 & V & npi & 97.8 &  & 4.13 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.15 & 4.16 & 4.15 & 4.05 & 4.15 &  &  & 4.15 & 4.23 & 4.38 & 4.31 & 4.04 & 4.00 & 4.12 & 4.06 \\
+9 &  & 4 & 4 & $^3A_1$   & 3 & V & ppi & 98.7 &  & 6.25 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.50 & 6.50 & 6.33 & 6.05 & 6.19 &  &  & 6.28 & 6.34 & 6.43 & 6.46 & 6.22 & 6.37 & 6.01 & 6.19 \\
+10 & Acetylene  & 2 & 13 & $^1\Sigma_u^-$  & 1 & V & ppi & 96.5 &  & 7.10 & exFCI/AVTZ & Y &  & 7.28 & 7.26 & 7.10 & 7.08 & 7.15 & 7.09 & 7.09 & 7.09 & 7.30 & 7.33 & 7.30 & 7.20 & 7.24 & 6.72 & 6.98 \\
+11 &                                & 2 & 13 & $^1\Delta_u$  & 1 & V & ppi & 93.3 &  & 7.44 & exFCI/AVTZ & Y &  & 7.62 & 7.59 & 7.44 & 7.42 & 7.48 & 7.43 & 7.42 & 7.42 & 7.55 & 7.58 & 7.58 & 7.45 & 7.56 & 7.06 & 7.31 \\
+12 &                                & 2 & 13 & $^3\Sigma_u^+$ & 3 & V & ppi & 99.2 &  & 5.53 & exFCI/AVTZ & Y &  & 5.79 & 5.76 & 5.63 & 5.20 & 5.45 &  &  & 5.50 & 5.45 & 5.45 & 5.56 & 5.39 & 5.75 & 5.24 & 5.50 \\
+13 &                                & 2 & 13 & $^3\Delta_u$  & 3 & V & ppi & 99.0 &  & 6.40 & exFCI/AVTZ & Y &  & 6.62 & 6.60 & 6.44 & 6.13 & 6.41 &  &  & 6.40 & 6.70 & 6.72 & 6.68 & 6.61 & 6.57 & 6.06 & 6.32 \\
+14 &                                & 2 & 13 & $^3\Sigma_u^-$  & 3 & V & ppi & 98.8 &  & 7.08 & exFCI/AVTZ & Y &  & 7.31 & 7.29 & 7.11 & 6.84 & 7.12 &  &  & 7.07 & 7.34 & 7.37 & 7.34 & 7.24 & 7.27 & 6.72 & 7.00 \\
+15 &                                & 2 & 13 & $^1A_u$ [F] & 1 & V & ppi & 95.6 &  & 3.64 & exFCI/AVTZ & Y &  & 3.85 & 3.94 & 3.63 & 3.65 & 3.70 & 3.66 & 3.64 & 3.64 & 3.77 & 3.93 & 3.93 & 3.66 & 3.78 & 2.85 & 3.32 \\
+16 &  & 2 & 13 & $^1A_2$ [F] & 1 & V & ppi & 95.5 &  & 3.85 & exFCI/AVTZ & Y &  & 4.06 & 4.11 & 3.84 & 3.85 & 3.92 & 3.85 & 3.84 & 3.84 & 3.97 & 4.09 & 4.10 & 3.86 & 3.99 & 3.08 & 3.54 \\
+17 & Acrolein & 4 & 4 & $^1A^{\prime\prime}$   & 1 & V & npi & 87.6 & 0.000 & 3.78 & exFCI/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 3.89 & 3.85 & 3.88 & 3.85 & 3.91 & 3.80 & 3.78 & 3.74 & 3.95 & 4.11 & 4.03 & 3.73 & 3.68 & 3.76 & 3.72 \\
+18 &  & 4 & 4 & $^1A^\prime$   & 1 & V & ppi & 91.2 & 0.344 & 6.69 & CCSDT/AVTZ & Y &  & 6.88 & 6.80 & 6.85 &  & 6.87 & 6.69 & 6.71 & 6.65 & 6.82 & 6.88 & 6.98 & 6.64 & 6.74 & 6.51 & 6.63 \\
+19 &  & 4 & 4 & $^1A^{\prime\prime}$   & 1 & V & npi & 79.4 & 0.000 & 6.72 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & N &  & 7.76 & 6.68 &  & 6.98 & 7.27 & 6.94 & 6.89 & 6.75 & 7.27 & 7.37 & 7.14 & 7.04 & 6.59 & 6.82 & 6.71 \\
+20 &  & 4 & 4 & $^1A^\prime$   & 1 & R & n3s & 89.4 & 0.109 & 7.08 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.92 & 6.40 & 7.23 & 7.25 & 7.24 & 7.12 & 7.15 & 7.07 & 7.08 & 7.14 & 6.77 & 6.88 & 6.35 & 7.57 & 6.96 \\
+21 &  & 4 & 4 & $^3A^{\prime\prime}$   & 3 & V & npi & 97.0 &  & 3.51 & exFCI/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & Y &  & 3.56 & 3.49 & 3.53 & 3.48 & 3.55 &  &  & 3.46 & 3.67 & 3.81 & 3.70 & 3.48 & 3.33 & 3.45 & 3.39 \\
+22 &  & 4 & 4 & $^3A^\prime$   & 3 & V & ppi & 98.6 &  & 3.94 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.14 & 4.06 & 3.99 & 3.72 & 3.88 &  &  & 3.94 & 4.10 & 4.11 & 4.09 & 3.99 & 4.05 & 3.66 & 3.86 \\
+23 &  & 4 & 4 & $^3A^\prime$    & 3 & V & ppi & 98.4 &  & 6.18 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.42 & 6.37 & 6.24 & 6.00 & 6.14 &  &  & 6.19 & 6.25 & 6.33 & 6.36 & 6.13 & 6.31 & 5.86 & 6.09 \\
+24 &  & 4 & 4 & $^3A^{\prime\prime}$   & 3 & V & npi & 92.7 &  & 6.54 & CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & N &  &  & 6.55 & 7.01 &  & 7.09 &  &  & 6.61 & 7.16 & 7.25 & 7.02 & 6.94 & 6.47 & 6.67 & 6.57 \\
+25 & Ammonia  & 1 & 13 & $^1A_2$   & 1 & R & n3s & 93.5 & 0.086 & 6.59 & exFCI/AVTZ & Y &  & 6.37 & 6.39 & 6.57 & 6.55 & 6.60 & 6.57 & 6.58 & 6.57 & 6.56 & 6.54 & 6.49 & 6.42 & 6.40 & 6.63 & 6.52 \\
+26 &                                & 1 & 13 & $^1E$   & 1 & R & n3p & 93.7 & 0.006 & 8.16 & exFCI/AVTZ & Y &  & 7.86 & 7.85 & 8.14 & 8.14 & 8.15 & 8.15 & 8.15 & 8.15 & 8.07 & 8.05 & 7.98 & 7.93 & 7.87 & 8.21 & 8.04 \\
+27 &                                & 1 & 13 & $^1A_1$   & 1 & R & n3p & 94.0 & 0.003 & 9.33 & exFCI/AVTZ & Y &  & 9.04 & 9.05 & 9.31 & 9.33 & 9.33 & 9.32 & 9.32 & 9.32 & 9.19 & 9.18 & 9.14 & 9.05 & 9.05 & 9.38 & 9.22 \\
+28 &                                & 1 & 13 & $^1A_2$   & 1 & R & n3s & 93.6 & 0.008 & 9.96 & exFCI/AVTZ & Y &  & 9.59 & 9.65 & 9.93 & 9.98 & 9.95 & 9.94 & 9.95 & 9.95 & 9.85 & 9.83 & 9.77 & 9.71 & 9.67 & 10.00 & 9.84 \\
+29 &                                & 1 & 13 & $^3A_2$   & 3 & R & n3s & 98.2 &  & 6.31 & exFCI/AVTZ & Y &  & 6.18 & 6.14 & 6.27 & 6.31 & 6.30 &  &  & 6.29 & 6.36 & 6.34 & 6.27 & 6.23 & 6.16 & 6.31 & 6.24 \\
+30 & Benzene & 6 & 56 & $^1B_{2u}$    & 1 & V & ppi & 86.3 &  & 5.06 & CCSDT/AVTZ & Y &  & 5.32 & 5.26 & 5.43 & 5.01 & 5.20 & 5.14 & 5.11 & 5.09 & 5.03 & 5.02 & 5.10 & 4.81 & 5.27 & 5.01 & 5.14 \\
+31 &  & 6 & 56 & $^1B_{1u}$    & 1 & V & ppi & 92.9 &  & 6.45 & CCSDT/AVTZ & Y &  & 6.61 & 6.48 & 6.64 & 6.51 & 6.50 & 6.47 & 6.45 & 6.44 & 6.31 & 6.35 & 6.39 & 6.16 & 6.45 & 6.24 & 6.35 \\
+32 &  & 6 & 56 & $^1E_{1g}$    & 1 & R & p3s & 92.8 &  & 6.52 & CCSDT/AVTZ & Y &  & 6.57 & 6.47 & 6.79 & 6.65 & 6.58 & 6.54 & 6.54 & 6.52 & 6.63 & 6.57 & 6.54 & 6.51 & 6.52 & 6.38 & 6.45 \\
+33 &  & 6 & 56 & $^1A_{2u}$     & 1 & R & p3p & 93.4 & 0.066 & 7.08 & CCSDT/AVTZ & Y &  & 7.08 & 7.00 & 7.33 & 7.17 & 7.12 & 7.10 & 7.09 & 7.08 & 7.15 & 7.10 & 7.07 & 7.05 & 7.06 & 6.92 & 6.99 \\
+34 &  & 6 & 56 & $^1E_{2u}$     & 1 & R & p3p & 92.8 &  & 7.15 & CCSDT/AVTZ & Y &  & 7.14 & 7.06 & 7.42 &  & 7.20 & 7.17 & 7.16 & 7.15 & 7.23 & 7.18 & 7.14 & 7.12 & 7.12 & 7.00 & 7.06 \\
+35 &  & 6 & 56 & $^3B_{1u}$    & 3 & V & ppi & 98.6 &  & 4.16 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.47 & 4.37 & 4.35 &  & 4.00 &  &  & 4.18 & 4.32 & 4.32 & 4.34 & 4.21 & 4.37 & 3.94 & 4.16 \\
+36 &  & 6 & 56 & $^3E_{1u}$   & 3 & V & ppi & 97.1 &  & 4.85 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.12 & 5.08 & 5.14 & 4.88 & 4.93 &  &  & 4.86 & 4.99 & 5.00 & 5.03 & 4.83 & 5.07 & 4.60 & 4.84 \\
+37 &  & 6 & 56 & $^3B_{2u}$    & 3 & V & ppi & 98.1 &  & 5.81 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.95 & 5.89 & 5.92 & 5.78 & 5.77 &  &  & 5.81 & 5.96 & 5.98 & 5.94 & 5.81 & 5.87 & 5.51 & 5.69 \\
+38 & Butadiene & 4 & 4 & $^1B_u$    & 1 & V & ppi & 93.3 & 0.664 & 6.22 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.24 & 6.16 & 6.24 & 6.33 & 6.35 & 6.21 & 6.24 & 6.22 & 6.30 & 6.34 & 6.28 & 6.16 & 6.12 & 6.02 & 6.07 \\
+39 &  & 4 & 4 & $^1B_g$   & 1 & R & p3s & 94.1 &  & 6.33 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.34 & 6.26 & 6.44 & 6.38 & 6.40 & 6.33 & 6.34 & 6.33 & 6.54 & 6.49 & 6.41 & 6.44 & 6.31 & 6.12 & 6.22 \\
+40 &  & 4 & 4 & $^1A_g$    & 1 & V & ppi & 75.1 &  & 6.50 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 7.35 & 7.09 & 7.14 &  & 7.12 & 6.86 & 6.76 & 6.67 & 7.37 & 7.34 & 7.26 & 7.23 & 7.14 & 5.86 & 6.50 \\
+41 &  & 4 & 4 & $^1A_u$   & 1 & R & p3p & 94.1 & 0.001 & 6.64 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.65 & 6.57 & 6.75 & 6.69 & 6.71 & 6.65 & 6.66 & 6.64 & 6.88 & 6.83 & 6.74 & 6.78 & 6.63 & 6.44 & 6.54 \\
+42 &  & 4 & 4 & $^1A_u$   & 1 & R & p3p & 94.1 & 0.049 & 6.80 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.78 & 6.70 & 6.92 & 6.92 & 6.87 & 6.80 & 6.81 & 6.80 & 7.02 & 6.97 & 6.88 & 6.92 & 6.76 & 6.59 & 6.68 \\
+43 &  & 4 & 4 & $^1B_u$   & 1 & R & p3p & 93.8 & 0.055 & 7.68 & CCSDTQ/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & Y &  & 7.71 & 7.63 & 7.79 & 7.76 & 7.76 & 7.68 &  & 7.68 & 7.84 & 7.84 & 7.74 & 7.74 & 7.48 & 7.46 & 7.47 \\
+44 &  & 4 & 4 & $^3B_u$   & 3 & V & ppi & 98.4 &  & 3.36 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 3.55 & 3.45 & 3.37 & 3.17 & 3.29 &  &  & 3.36 & 3.54 & 3.53 & 3.51 & 3.43 & 3.46 & 3.09 & 3.28 \\
+45 &  & 4 & 4 & $^3A_g$   & 3 & V & ppi & 98.7 &  & 5.20 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.33 & 5.30 & 5.16 & 5.03 & 5.17 &  &  & 5.20 & 5.22 & 5.22 & 5.25 & 5.13 & 5.27 & 4.94 & 5.11 \\
+46 &  & 4 & 4 & $^3B_g$   & 3 & R & p3s & 97.9 &  & 6.29 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.31 & 6.21 & 6.38 & 6.42 & 6.33 &  &  & 6.28 & 6.51 & 6.47 & 6.38 & 6.42 & 6.27 & 6.06 & 6.17 \\
+47 & Carbon monoxide  & 2 & 13 & $^1\Pi$   & 1 & V & npi & 93.1 & 0.084 & 8.49 & exFCI/AVTZ & Y &  & 8.78 & 8.64 & 8.63 & 8.55 & 8.59 & 8.52 & 8.51 & 8.49 & 8.75 & 8.68 & 8.67 & 8.59 & 8.69 & 8.24 & 8.47 \\
+48 &                                & 2 & 13 & $^1\Sigma^-$   & 1 & V & ppi & 93.3 &  & 9.92 & exFCI/AVTZ & Y &  & 10.13 & 10.30 & 9.94 & 9.90 & 9.99 & 9.98 & 9.98 & 9.99 & 10.01 & 10.24 & 10.26 & 9.84 & 10.03 & 9.73 & 9.88 \\
+49 &                                & 2 & 13 & $^1\Delta$   & 1 & V & ppi & 91.8 &  & 10.06 & exFCI/AVTZ & Y &  & 10.41 & 10.60 & 10.08 & 10.07 & 10.12 & 10.12 & 10.11 & 10.12 & 10.14 & 10.40 & 10.47 & 9.97 & 10.30 & 9.82 & 10.06 \\
+50 &                                & 2 & 13 & $^1\Sigma^+$   & 1 & R & non-d & 91.5 & 0.003 & 10.95 & exFCI/AVTZ & Y &  & 11.48 & 11.11 & 11.29 & 11.14 & 11.22 & 10.99 & 11.02 & 10.94 & 11.52 & 11.32 & 11.25 & 11.39 & 11.32 & 10.79 & 11.06 \\
+51 &                                & 2 & 13 & $^1\Sigma^+$   & 1 & R & non-d & 92.9 & 0.200 & 11.52 & exFCI/AVTZ & Y &  & 11.71 & 11.63 & 11.80 & 11.75 & 11.75 & 11.53 & 11.55 & 11.49 & 12.04 & 11.81 & 11.75 & 11.93 & 11.83 & 11.33 & 11.58 \\
+52 &                                & 2 & 13 & $^1\Pi$   & 1 & R & non-d & 92.4 & 0.053 & 11.72 & exFCI/AVTZ & Y &  & 12.06 & 11.83 & 12.01 & 12.00 & 11.96 & 11.73 & 11.76 & 11.69 & 12.25 & 12.03 & 11.96 & 12.13 & 12.03 & 11.56 & 11.80 \\
+53 &                                & 2 & 13 & $^3\Pi$   & 3 & V & npi & 98.7 &  & 6.28 & exFCI/AVTZ & Y &  & 6.51 & 6.42 & 6.34 & 6.32 & 6.36 &  &  & 6.30 & 6.63 & 6.58 & 6.53 & 6.54 & 6.45 & 5.97 & 6.21 \\
+54 &                                & 2 & 13 & $^3\Sigma^+$   & 3 & V & ppi & 98.7 &  & 8.45 & exFCI/AVTZ & Y &  & 8.63 & 8.72 & 8.47 & 8.37 & 8.34 &  &  & 8.45 & 8.41 & 8.52 & 8.59 & 8.30 & 8.54 & 8.21 & 8.38 \\
+55 &                                & 2 & 13 & $^3\Delta$   & 3 & V & ppi & 98.4 &  & 9.27 & exFCI/AVTZ & Y &  & 9.44 & 9.56 & 9.26 & 9.21 & 9.23 &  &  & 9.30 & 9.40 & 9.60 & 9.59 & 9.26 & 9.33 & 9.03 & 9.18 \\
+56 &                                & 2 & 13 & $^3\Sigma^-$   & 3 & V & ppi & 97.5 &  & 9.80 & exFCI/AVTZ & Y &  & 10.10 & 10.27 & 9.80 & 9.83 & 9.81 &  &  & 9.82 & 9.98 & 10.20 & 10.22 & 9.81 & 10.01 & 9.53 & 9.77 \\
+57 &                                & 2 & 13 & $^3\Sigma^+$   & 3 & R & non-d & 98.0 &  & 10.47 & exFCI/AVTZ & Y &  & 10.98 & 10.60 & 10.78 & 10.73 & 10.71 &  &  & 10.45 & 11.08 & 10.86 & 10.77 & 10.99 & 10.83 & 10.29 & 10.56 \\
+58 & Carbonylfluoride & 4 & 4 & $^1A_2$ & 1 & V & npi & 91.1 &  & 7.31 & exFCI/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 7.38 & 7.47 & 7.39 & 7.07 & 7.36 & 7.32 & 7.32 & 7.31 & 7.27 & 7.48 & 7.47 & 7.04 & 7.22 & 7.32 & 7.27 \\
+59 &  & 4 & 4 & $^3A_2$ & 3 & V & npi & 97.8 &  & 7.06 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 7.08 & 7.14 & 7.08 & 6.82 & 7.03 &  &  & 7.03 & 7.05 & 7.24 & 7.21 & 6.81 & 6.91 & 7.01 & 6.96 \\
+60 & \ce{CCl2} & 3 & 13 & $^1B_1$ & 1 & V & spi & 93.7 & 0.002 & 2.59 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 2.59 & 2.58 & 2.36 & 2.35 & 2.61 & 2.59 & 2.61 & 2.61 & 2.58 & 2.67 & 2.64 & 2.44 & 2.46 & 2.41 & 2.44 \\
+61 &  & 3 & 13 & $^1A_2$ & 1 & V & non-d & 88.3 &  & 4.40 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 4.20 & 4.27 & 4.27 & 4.33 & 4.57 & 4.37 & 4.41 & 4.35 & 4.50 & 4.61 & 4.50 & 4.29 & 4.12 & 4.76 & 4.44 \\
+62 &  & 3 & 13 & $^3B_1$ & 3 & V & spi & 98.6 &  & 1.22 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 1.09 & 1.15 & 0.84 &  & 1.11 &  &  & 1.20 & 1.16 & 1.27 & 1.23 & 1.06 & 0.98 & 0.91 & 0.95 \\
+63 &  & 3 & 13 & $^3A_2$ & 3 & V & non-d & 96.1 &  & 4.31 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 4.24 & 4.20 & 4.17 & 4.23 & 4.45 &  &  & 4.28 & 4.48 & 4.59 & 4.46 & 4.29 & 4.05 & 4.62 & 4.34 \\
+64 & \ce{CClF} & 3 & 13 & $^1A{\prime\prime}$ & 1 & V & spi & 93.9 & 0.007 & 3.57 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 3.56 & 3.57 & 3.34 & 3.39 & 3.57 & 3.55 & 3.56 & 3.56 & 3.54 & 3.63 & 3.61 & 3.39 & 3.44 & 3.35 & 3.40 \\
+65 & \ce{CF2} & 3 & 13 & $^1B_1$ & 1 & V & spi & 94.7 & 0.034 & 5.09 & exFCI/AVTZ & Y &  & 5.06 & 5.09 & 4.90 & 4.90 & 5.09 & 5.07 & 5.08 & 5.07 & 5.05 & 5.15 & 5.13 & 4.89 & 4.94 & 4.86 & 4.90 \\
+66 &  & 3 & 13 & $^3B_1$ & 3 & V & spi & 99.1 &  & 2.77 & exFCI/AVTZ & Y &  & 2.63 & 2.70 & 2.47 & 2.61 & 2.69 &  &  & 2.76 & 2.74 & 2.84 & 2.79 & 2.64 & 2.54 & 2.48 & 2.51 \\
+67 & Cyanoacetylene & 4 & 4 & $^1\Sigma^-$   & 1 & V & ppi & 94.3 &  & 5.80 & CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 6.14 & 6.03 & 6.02 & 5.87 & 5.88 & 5.84 & 5.81 & 5.80 & 6.15 & 6.20 & 6.14 & 6.01 & 5.99 & 5.37 & 5.68 \\
+68 &  & 4 & 4 & $^1\Delta$   & 1 & V & ppi & 94.0 &  & 6.07 & CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 6.41 & 6.30 & 6.29 & 6.20 & 6.15 & 6.11 & 6.09 & 6.08 & 6.33 & 6.38 & 6.36 & 6.18 & 6.25 & 5.64 & 5.95 \\
+69 &  & 4 & 4 & $^3\Sigma^+$  & 3 & V & ppi & 98.5 &  & 4.44 & CCSDT/AVTZ & Y &  & 4.89 & 4.80 & 4.76 & 4.35 & 4.38 &  &  & 4.45 & 4.53 & 4.55 & 4.64 & 4.44 & 4.77 & 4.11 & 4.44 \\
+70 &  & 4 & 4 & $^3\Delta$   & 3 & V & ppi & 98.2 &  & 5.21 & CCSDT/AVTZ & Y &  & 5.60 & 5.50 & 5.46 & 5.22 & 5.24 &  &  & 5.22 & 5.66 & 5.71 & 5.64 & 5.54 & 5.46 & 4.80 & 5.13 \\
+71 &  & 4 & 4 & $^1A^{\prime\prime}$ [F] & 1 & V & ppi & 93.6 & 0.004 & 3.54 & CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 3.83 & 3.79 & 3.71 & 3.52 & 3.58 & 3.58 & 3.54 & 3.54 & 3.72 & 3.88 & 3.85 & 3.57 & 3.63 & 2.78 & 3.21 \\
+72 & Cyanoformaldehyde & 4 & 4 & $^1A^{\prime\prime}$   & 1 & V & npi & 89.8 & 0.001 & 3.81 & CCSDT/AVTZ & Y &  & 3.98 & 3.97 & 3.97 & 3.80 & 3.94 & 3.87 & 3.86 & 3.83 & 4.03 & 4.16 & 4.10 & 3.82 & 3.83 & 3.77 & 3.80 \\
+73 &  & 4 & 4 & $^1A^{\prime\prime}$  & 1 & V & ppi & 91.9 & 0.000 & 6.46 & CCSDT/AVTZ & Y &  & 7.10 & 6.74 & 6.85 & 6.56 & 6.67 & 6.50 & 6.47 & 6.42 & 6.95 & 6.98 & 6.90 & 6.77 & 6.73 & 6.07 & 6.40 \\
+74 &  & 4 & 4 & $^3A^{\prime\prime}$   & 3 & V & npi & 97.6 &  & 3.44 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 3.54 & 3.51 & 3.53 & 3.42 & 3.49 &  &  & 3.46 & 3.66 & 3.78 & 3.69 & 3.47 & 3.37 & 3.38 & 3.38 \\
+75 &  & 4 & 4 & $^3A^\prime$    & 3 & V & ppi & 98.4 &  & 5.01 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.43 & 5.34 & 5.27 & 4.89 & 4.97 &  &  & 5.01 & 5.19 & 5.25 & 5.29 & 5.07 & 5.27 & 4.63 & 4.95 \\
+76 & Cyanogen & 4 & 4 &  $^1\Sigma_u^-$   & 1 & V & ppi & 94.1 &  & 6.39 & CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 6.85 & 6.72 & 6.73 & 6.46 & 6.50 & 6.44 & 6.40 & 6.39 & 6.82 & 6.88 & 6.83 & 6.67 & 6.67 & 5.88 & 6.28 \\
+77 &  & 4 & 4 &  $^1\Delta_u$   & 1 & V & ppi & 93.4 &  & 6.66 & CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 7.15 & 7.02 & 7.00 & 6.80 & 6.78 & 6.72 & 6.68 & 6.66 & 7.01 & 7.08 & 7.06 & 6.85 & 6.95 & 6.16 & 6.56 \\
+78 &  & 4 & 4 &  $^3\Sigma_u^+$  & 3 & V & ppi & 98.5 &  & 4.91 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 5.44 & 5.35 & 5.32 & 4.81 & 4.84 &  &  & 4.90 & 4.96 & 4.98 & 5.11 & 4.85 & 5.31 & 4.49 & 4.90 \\
+79 &  & 4 & 4 &  $^1\Sigma_u^-$  [F] & 1 & V & ppi & 93.4 &  & 5.05 & CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 5.61 & 5.48 & 5.57 & 5.07 & 5.13 & 5.14 & 5.06 & 5.06 & 5.54 & 5.63 & 5.58 & 5.37 & 5.39 & 4.32 & 4.86 \\
+80 & Cyclopentadiene & 5 & 56 & $^1B_2$   & 1 & V & ppi & 93.8 & 0.084 & 5.56 & CCSDT/AVTZ & Y &  & 5.62 & 5.52 & 5.64 & 5.59 & 5.67 & 5.53 & 5.56 & 5.54 & 5.64 & 5.68 & 5.63 & 5.49 & 5.49 & 5.35 & 5.42 \\
+81 &  & 5 & 56 & $^1A_2$   & 1 & R & p3s & 94.0 &  & 5.78 & CCSDT/AVTZ & Y &  & 5.75 & 5.66 & 5.95 & 5.80 & 5.83 & 5.78 & 5.78 & 5.77 & 5.95 & 5.91 & 5.83 & 5.84 & 5.71 & 5.63 & 5.67 \\
+82 &  & 5 & 56 & $^1B_1$    & 1 & R & p3p & 94.2 & 0.037 & 6.41 & CCSDT/AVTZ & Y &  & 6.33 & 6.26 & 6.57 & 6.44 & 6.45 & 6.41 & 6.41 & 6.40 & 6.54 & 6.50 & 6.41 & 6.44 & 6.31 & 6.25 & 6.28 \\
+83 &  & 5 & 56 & $^1A_2$    & 1 & R & p3p & 93.8 &  & 6.46 & CCSDT/AVTZ & Y &  & 6.37 & 6.30 & 6.63 & 6.60 & 6.50 & 6.46 & 6.46 & 6.45 & 6.62 & 6.58 & 6.48 & 6.51 & 6.35 & 6.30 & 6.33 \\
+84 &  & 5 & 56 & $^1B_2$    & 1 & R & p3p & 94.2 & 0.046 & 6.56 & CCSDT/AVTZ & Y &  & 6.50 & 6.42 & 6.74 & 6.65 & 6.61 & 6.57 & 6.56 & 6.56 & 6.70 & 6.66 & 6.58 & 6.60 & 6.48 & 6.41 & 6.45 \\
+85 &  & 5 & 56 & $^1A_1$ & 1 & V & ppi & 78.9 & 0.010 & 6.52 & CCSDT/AVTZ & N &  & 7.63 & 6.86 & 7.04 &  & 6.96 & 6.71 & 6.66 & 6.57 & 7.16 & 7.15 & 7.05 & 6.97 & 6.91 & 5.92 & 6.42 \\
+86 &  & 5 & 56 & $^3B_2$   & 3 & V & ppi & 98.4 &  & 3.31 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 3.52 & 3.42 & 3.38 & 3.11 & 3.24 &  &  & 3.32 & 3.47 & 3.47 & 3.45 & 3.36 & 3.42 & 3.05 & 3.24 \\
+87 &  & 5 & 56 & $^3A_1$   & 3 & V & ppi & 98.6 &  & 5.11 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.30 & 5.36 & 5.15 & 4.79 & 5.09 &  &  & 5.12 & 5.11 & 5.11 & 5.16 & 5.01 & 5.23 & 4.86 & 5.05 \\
+88 &  & 5 & 56 & $^3A_2$   & 3 & R & p3s & 97.9 &  & 5.73 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.73 & 5.62 & 5.89 & 5.86 & 5.78 &  &  & 5.73 & 5.93 & 5.89 & 5.80 & 5.83 & 5.67 & 5.57 & 5.62 \\
+89 &  & 5 & 56 & $^3B_1$   & 3 & R & p3p & 97.9 &  & 6.36 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.31 & 6.22 & 6.52 & 6.47 & 6.40 &  &  & 6.36 & 6.52 & 6.48 & 6.39 & 6.42 & 6.27 & 6.20 & 6.24 \\
+90 & Cyclopropene  & 3 & 13 & $^1B_1$   & 1 & V & ppi & 92.8 & 0.001 & 6.68 & CCSDT/AVTZ & Y &  & 6.90 & 6.73 & 6.73 &  & 6.76 & 6.68 & 6.70 & 6.68 & 6.94 & 6.92 & 6.86 & 6.79 & 6.75 & 6.56 & 6.66 \\
+91 &                                & 3 & 13 & $^1B_2$   & 1 & V & ppi & 95.1 & 0.071 & 6.79 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 6.90 & 6.78 & 6.76 & 6.94 & 6.86 & 6.73 & 6.76 & 6.73 & 6.98 & 7.01 & 6.94 & 6.86 & 6.86 & 6.56 & 6.71 \\
+92 &                                & 3 & 13 & $^3B_2$   & 3 & V & ppi & 98.0 &  & 4.38 & exFCI/AVTZ & Y &  & 4.55 & 4.46 & 4.36 & 4.36 & 4.30 &  &  & 4.34 & 4.49 & 4.49 & 4.48 & 4.40 & 4.45 & 4.09 & 4.27 \\
+93 &                                & 3 & 13 & $^3B_1$   & 3 & V & non-d & 98.9 &  & 6.45 & exFCI/AVTZ & Y &  & 6.49 & 6.44 & 6.42 & 6.57 & 6.46 &  &  & 6.40 & 6.71 & 6.69 & 6.60 & 6.56 & 6.45 & 6.26 & 6.36 \\
+94 & Cyclopropenone & 4 & 4 & $^1B_1$   & 1 & V & npi & 87.7 & 0.000 & 4.26 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 4.27 & 4.01 & 4.49 & 4.18 & 4.53 & 4.28 & 4.31 & 4.21 & 4.45 & 4.56 & 4.38 & 4.21 & 3.88 & 4.66 & 4.27 \\
+95 &  & 4 & 4 & $^1A_2$   & 1 & V & npi & 91.0 &  & 5.55 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 5.65 & 5.65 & 5.71 &  & 5.40 & 5.59 & 5.59 & 5.57 & 5.64 & 5.79 & 5.75 & 5.42 & 5.47 & 5.61 & 5.54 \\
+96 &  & 4 & 4 & $^1B_2$    & 1 & R & n3s & 90.8 & 0.003 & 6.34 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.32 & 5.84 & 6.50 & 6.36 & 6.44 & 6.35 & 6.38 & 6.32 & 6.36 & 6.40 & 6.22 & 6.17 & 5.79 & 6.64 & 6.22 \\
+97 &  & 4 & 4 & $^1B_2$    & 1 & V & ppi & 86.5 & 0.047 & 6.54 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.60 & 6.46 & 6.80 &  & 6.82 & 6.59 & 6.61 & 6.54 & 6.69 & 6.86 & 6.75 & 6.47 & 6.33 & 6.83 & 6.58 \\
+98 &  & 4 & 4 & $^1B_2$    & 1 & R & n3p & 91.1 & 0.018 & 6.98 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.48 & 6.56 & 7.15 & 7.07 & 7.09 & 6.98 &  & 6.96 & 6.99 & 7.04 & 6.87 & 6.80 & 6.43 & 7.33 & 6.88 \\
+99 &  & 4 & 4 & $^1A_1$   & 1 & R & n3p & 91.2 & 0.003 & 7.02 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.54 & 6.47 & 7.19 &  & 7.12 & 7.02 & 7.06 & 7.00 & 7.01 & 7.06 & 6.86 & 6.83 & 6.41 & 7.36 & 6.89 \\
+100 &  & 4 & 4 & $^1A_1$   & 1 & V & ppi & 90.8 & 0.320 & 8.28 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 8.22 & 8.28 & 8.42 & 8.19 & 8.35 & 8.29 &  & 8.28 & 8.20 & 8.37 & 8.34 & 8.01 & 8.10 & 8.17 & 8.14 \\
+101 &  & 4 & 4 & $^3B_1$   & 3 & V & npi & 96.0 &  & 3.93 & CCSDT/AVTZ & Y &  & 4.15 & 3.73 & 4.16 & 4.13 & 4.18 &  &  & 3.91 & 4.21 & 4.31 & 4.12 & 3.99 & 3.62 & 4.28 & 3.95 \\
+102 &  & 4 & 4 & $^3B_2$   & 3 & V & ppi & 97.9 &  & 4.88 & CCSDT/AVTZ & Y &  & 5.26 & 4.99 & 5.02 & 4.88 & 4.91 &  &  & 4.89 & 5.02 & 5.07 & 5.05 & 4.88 & 4.90 & 4.80 & 4.85 \\
+103 &  & 4 & 4 & $^3A_2$   & 3 & V & npi & 97.5 &  & 5.35 & CCSDT/AVTZ & Y &  & 5.96 & 5.45 & 5.49 & 5.01 & 5.40 &  &  & 5.37 & 5.52 & 5.65 & 5.58 & 5.32 & 5.28 & 5.36 & 5.32 \\
+104 &  & 4 & 4 & $^3A_1$   & 3 & V & ppi & 98.1 &  & 6.79 & CCSDT/AVTZ & Y &  & 6.97 & 7.02 & 6.93 & 6.39 & 6.76 &  &  & 6.83 & 6.90 & 7.08 & 7.05 & 6.74 & 6.84 & 6.63 & 6.74 \\
+105 & Cyclopropenethione & 4 & 4 & $^1A_2$   & 1 & V & npi & 89.6 &  & 3.41 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 3.45 & 3.53 & 3.37 & 3.34 & 3.51 & 3.43 & 3.46 & 3.43 & 3.46 & 3.59 & 3.57 & 3.28 & 3.38 & 3.46 & 3.42 \\
+106 &  & 4 & 4 & $^1B_1$    & 1 & V & npi & 84.8 & 0.000 & 3.45 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 3.56 & 3.50 & 3.63 &  & 3.84 & 3.51 & 3.56 & 3.43 & 3.93 & 4.07 & 3.88 & 3.73 & 3.37 & 3.82 & 3.60 \\
+107 &  & 4 & 4 & $^1B_2$    & 1 & V & ppi & 83.0 & 0.007 & 4.60 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 5.06 & 4.91 & 4.83 &  & 4.98 & 4.69 & 4.73 & 4.64 & 5.04 & 5.20 & 5.11 & 4.84 & 4.72 & 4.72 & 4.72 \\
+108 &  & 4 & 4 & $^1B_2$    & 1 & R & n3s & 91.8 & 0.048 & 5.34 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 5.24 & 5.22 & 5.30 & 5.45 & 5.41 & 5.34 & 5.38 & 5.34 & 5.47 & 5.52 & 5.43 & 5.36 & 5.17 & 5.41 & 5.29 \\
+109 &  & 4 & 4 & $^1A_1$   & 1 & V & ppi & 89.0 & 0.228 & 5.46 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 5.47 & 5.59 & 5.41 &  & 5.55 & 5.48 & 5.52 & 5.49 & 5.35 & 5.56 & 5.58 & 5.17 & 5.36 & 5.36 & 5.36 \\
+110 &  & 4 & 4 & $^1B_2$   & 1 & R & n3p & 91.3 & 0.084 & 5.92 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 5.93 & 5.82 & 5.92 & 6.05 & 6.03 & 5.93 & 5.97 & 5.93 & 6.10 & 6.16 & 6.04 & 5.99 & 5.77 & 6.02 & 5.90 \\
+111 &  & 4 & 4 & $^3A_2$   & 3 & V & npi & 97.2 &  & 3.28 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 3.34 & 3.37 & 3.23 & 3.23 & 3.34 &  &  & 3.30 & 3.39 & 3.50 & 3.45 & 3.23 & 3.23 & 3.30 & 3.27 \\
+112 &  & 4 & 4 & $^3B_1$   & 3 & V & npi & 94.5 &  & 3.32 & CCSDT/AVTZ & Y &  & 3.55 & 3.38 & 3.50 & 3.55 & 3.69 &  &  & 3.31 & 3.83 & 3.97 & 3.77 & 3.64 & 3.26 & 3.65 & 3.46 \\
+113 &  & 4 & 4 & $^3B_2$   & 3 & V & ppi & 96.5 &  & 4.01 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.62 & 4.24 & 4.14 & 4.05 & 4.16 &  &  & 4.02 & 4.36 & 4.44 & 4.37 & 4.21 & 4.12 & 3.96 & 4.04 \\
+114 &  & 4 & 4 & $^3A_1$   & 3 & V & ppi & 98.2 &  & 4.01 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.12 & 4.16 & 3.97 & 3.87 & 3.97 &  &  & 4.03 & 4.10 & 4.18 & 4.18 & 3.97 & 4.04 & 3.83 & 3.94 \\
+115 & Diacetylene & 4 & 4 & $^1\Sigma_u^-$   & 1 & V & ppi & 94.4 &  & 5.33 & CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 5.62 & 5.51 & 5.50 & 5.37 & 5.41 & 5.37 & 5.35 & 5.34 & 5.66 & 5.70 & 5.64 & 5.53 & 5.49 & 4.95 & 5.22 \\
+116 &  & 4 & 4 & $^1\Delta_u$   & 1 & V & ppi & 94.1 &  & 5.61 & CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 5.86 & 5.76 & 5.75 & 5.64 & 5.67 & 5.64 & 5.62 & 5.61 & 5.83 & 5.87 & 5.83 & 5.69 & 5.72 & 5.22 & 5.47 \\
+117 &  & 4 & 4 & $^3\Sigma_u^+$   & 3 & V & ppi & 98.5 &  & 4.10 & CCSDTQ/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & Y &  & 4.48 & 4.39 & 4.34 & 4.05 & 4.01 &  &  & 4.08 & 4.20 & 4.21 & 4.27 & 4.11 & 4.37 & 3.79 & 4.08 \\
+118 &  & 4 & 4 & $^3\Delta_u$   & 3 & V & ppi & 98.2 &  & 4.78 & CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 5.14 & 5.03 & 4.99 & 4.87 & 4.82 &  &  & 4.80 & 5.22 & 5.25 & 5.18 & 5.10 & 5.01 & 4.43 & 4.72 \\
+119 & Diazomethane  & 3 & 13 & $^1A_2$   & 1 & V & ppi & 90.1 &  & 3.14 & exFCI/AVTZ & Y &  & 3.55 & 3.37 & 3.37 & 3.20 & 3.19 & 3.12 & 3.10 & 3.07 & 3.36 & 3.38 & 3.38 & 3.17 & 3.34 & 2.74 & 3.04 \\
+120 &                                & 3 & 13 & $^1B_1$   & 1 & R & p3s & 93.8 & 0.016 & 5.54 & exFCI/AVTZ & Y &  & 5.65 & 5.53 & 5.80 & 5.57 & 5.57 & 5.48 & 5.47 & 5.45 & 5.81 & 5.71 & 5.65 & 5.70 & 5.63 & 5.23 & 5.43 \\
+121 &                                & 3 & 13 & $^1A_1$   & 1 & V & ppi & 91.4 & 0.234 & 5.90 & exFCI/AVTZ & Y &  & 6.03 & 6.00 & 6.15 & 5.75 & 5.94 & 5.87 & 5.86 & 5.84 & 5.99 & 6.03 & 6.02 & 5.82 & 5.97 & 5.48 & 5.73 \\
+122 &                                & 3 & 13 & $^3A_2$   & 3 & V & ppi & 97.7 &  & 2.79 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 3.21 & 3.08 & 3.03 & 2.85 & 3.19 &  &  & 2.83 & 3.11 & 3.17 & 3.14 & 2.94 & 3.01 & 2.44 & 2.73 \\
+123 &                                & 3 & 13 & $^3A_1$   & 3 & V & ppi & 98.6 &  & 4.05 & exFCI/AVTZ & Y &  & 4.28 & 4.25 & 4.23 & 3.91 & 3.95 &  &  & 4.03 & 4.14 & 4.15 & 4.19 & 4.00 & 4.20 & 3.64 & 3.92 \\
+124 &                                & 3 & 13 & $^3B_1$   & 3 & R & p3s  & 98.0 &  & 5.35 & exFCI/AVTZ & Y &  & 5.53 & 5.40 & 5.64 & 5.43 & 5.42 &  &  & 5.31 & 5.71 & 5.61 & 5.54 & 5.60 & 5.50 & 5.08 & 5.29 \\
+125 &                                & 3 & 13 & $^3A_1$   & 3 & R & p3p & 98.5 &  & 6.82 & exFCI/AVTZ & Y &  & 7.37 & 7.04 & 7.14 &  & 6.85 &  &  & 6.80 & 7.02 & 7.01 & 7.04 & 6.91 & 7.09 & 6.36 & 6.73 \\
+126 &                                & 3 & 13 & $^1A^{\prime\prime}$ [F] & 1 & V & ppi & 87.4 & 0.000 & 0.71 & exFCI/AVTZ & Y &  & 1.06 & 0.90 & 0.85 & 0.88 & 0.81 & 0.73 & 0.70 & 0.68 & 0.93 & 1.01 & 0.98 & 0.74 & 0.81 & 0.24 & 0.53 \\
+127 & Difluorodiazieine & 5 & 56 & $^1B_1$ & 1 & V & npi & 93.1 & 0.002 & 3.74 & CCSDT/AVTZ & Y &  & 3.89 & 3.74 & 3.94 & 3.56 & 3.83 & 3.76 & 3.75 & 3.74 & 3.97 & 3.97 & 3.90 & 3.77 & 3.74 & 3.52 & 3.63 \\
+128 &  & 5 & 56 & $^1A_2$ & 1 & V & ppi & 91.4 &  & 7.00 & CCSDT/AVTZ & Y &  & 7.46 & 7.19 & 7.24 &  & 7.10 & 7.05 & 7.02 & 7.02 & 7.29 & 7.28 & 7.25 & 7.10 & 7.19 & 6.70 & 6.95 \\
+129 &  & 5 & 56 & $^1B_2$ & 1 & V & ppi & 93.3 & 0.026 & 8.52 & CCSDT/AVTZ & Y &  & 8.53 & 8.29 & 8.90 &  & 8.69 & 8.55 & 8.55 & 8.50 & 8.95 & 8.82 & 8.65 & 8.77 & 8.42 & 8.50 & 8.46 \\
+130 &  & 5 & 56 & $^3B_1$ & 3 & V & npi & 98.2 &  & 3.03 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 3.17 & 3.03 & 3.17 & 2.91 & 3.07 &  &  & 3.03 & 3.32 & 3.33 & 3.23 & 3.14 & 3.01 & 2.77 & 2.89 \\
+131 &  & 5 & 56 & $^3B_2$   & 3 & V & ppi & 98.9 &  & 5.44 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.89 & 5.77 & 5.97 &  & 5.40 &  &  & 5.45 & 5.53 & 5.55 & 5.63 & 5.41 & 5.72 & 5.04 & 5.38 \\
+132 &  & 5 & 56 & $^3A_2$ & 3 & V & ppi & 98.4 &  & 5.80 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.13 & 5.99 & 5.71 & 5.59 & 5.84 &  &  & 5.81 & 6.20 & 6.21 & 6.13 & 6.05 & 5.97 & 5.47 & 5.72 \\
+133 & Dinitrogen  & 2 & 13 & $^1\Pi_g$    & 1 & V & ppi & 92.6 &  & 9.34 & exFCI/AVTZ & Y &  & 9.66 & 9.44 & 9.59 & 9.37 & 9.41 & 9.36 & 9.35 & 9.34 & 9.55 & 9.51 & 9.48 & 9.36 & 9.48 & 9.16 & 9.32 \\
+134 &                                & 2 & 13 & $^1\Sigma_u^-$ & 1 & V & ppi & 97.2 &  & 9.88 & exFCI/AVTZ & Y &  & 10.31 & 10.32 & 10.11 & 10.09 & 10.00 & 9.90 & 9.89 & 9.88 & 10.24 & 10.30 & 10.30 & 10.12 & 10.26 & 9.33 & 9.80 \\
+135 &                                & 2 & 13 & $^1\Delta_u$   & 1 & V & ppi & 95.9 & 0.000 & 10.29 & exFCI/AVTZ & Y &  & 10.85 & 10.86 & 10.56 & 10.56 & 10.44 & 10.33 & 10.31 & 10.29 & 10.63 & 10.69 & 10.75 & 10.50 & 10.79 & 9.74 & 10.27 \\
+136 &                                & 2 & 13 & $^1\Sigma_g^+$ & 1 & R & non-d & 92.2 &  & 12.98 & exFCI/AVTZ & Y &  & 13.67 & 12.83 & 13.38 & 13.13 & 13.15 & 13.04 & 13.06 & 13.01 & 13.33 & 13.16 & 13.06 & 13.15 & 12.99 & 13.01 & 13.00 \\
+137 &                                & 2 & 13 & $^1\Pi_u$    & 1 & R & non-d & 82.9 & 0.458 & 13.03 & exFCI/AVTZ & Y &  & 13.64 & 13.15 & 13.64 & 13.43 & 13.43 & 13.28 & 13.27 & 13.22 & 13.64 & 13.47 & 13.37 & 13.45 & 13.32 & 12.98 & 13.15 \\
+138 &                                & 2 & 13 & $^1\Sigma_u^+$ & 1 & R & non-d & 92.8 & 0.296 & 13.09 & exFCI/AVTZ & Y &  & 13.75 & 12.89 & 13.49 & 13.22 & 13.26 & 13.14 & 13.16 & 13.12 & 13.41 & 13.23 & 13.12 & 13.25 & 13.07 & 13.09 & 13.08 \\
+139 &                                & 2 & 13 & $^1\Pi_u$   & 1 & R & non-d & 87.4 & 0.000 & 13.46 & exFCI/AVTZ & Y &  & 14.52 & 13.96 & 13.83 & 13.73 & 13.67 & 13.52 &  & 13.49 & 14.03 & 13.98 & 13.97 & 13.82 & 14.00 & 13.40 & 13.70 \\
+140 &                                & 2 & 13 & $^3\Sigma_u^+$  & 3 & V & ppi & 99.3 &  & 7.70 & exFCI/AVTZ & Y &  & 8.20 & 8.19 & 8.04 & 7.70 & 7.66 &  &  & 7.68 & 7.49 & 7.49 & 7.73 & 7.41 & 8.15 & 7.25 & 7.70 \\
+141 &                                & 2 & 13 & $^3\Pi_g$   & 3 & V & npi & 98.4 &  & 8.01 & exFCI/AVTZ & Y &  & 8.33 & 8.19 & 8.23 & 8.16 & 8.09 &  &  & 8.04 & 8.43 & 8.40 & 8.33 & 8.28 & 8.20 & 7.77 & 7.99 \\
+142 &                                & 2 & 13 & $^3\Delta_u$   & 3 & V & ppi & 99.3 &  & 8.87 & exFCI/AVTZ & Y &  & 9.30 & 9.30 & 9.13 & 8.94 & 8.91 &  &  & 8.87 & 9.33 & 9.37 & 9.35 & 9.24 & 9.25 & 8.36 & 8.81 \\
+143 &                                & 2 & 13 & $^3\Sigma_u^-$  & 3 & V & ppi & 98.8 &  & 9.66 & exFCI/AVTZ & Y &  & 10.29 & 10.29 & 9.99 & 9.90 & 9.83 &  &  & 9.68 & 10.21 & 10.26 & 10.27 & 10.09 & 10.23 & 9.14 & 9.69 \\
+144 & Ethylene  & 2 & 13 & $^1B_{3u}$    & 1 & R & p3s  & 95.1 & 0.078 & 7.39 & exFCI/AVTZ & Y &  & 7.35 & 7.29 & 7.39 & 7.42 & 7.42 & 7.35 & 7.36 & 7.35 & 7.48 & 7.44 & 7.39 & 7.39 & 7.34 & 7.17 & 7.26 \\
+145 &                                & 2 & 13 & $^1B_{1u}$    & 1 & V & ppi & 95.8 & 0.346 & 7.93 & exFCI/AVTZ & Y &  & 7.95 & 7.92 & 7.88 &  & 8.02 & 7.89 & 7.92 & 7.91 & 7.98 & 8.00 & 7.98 & 7.88 & 7.91 & 7.69 & 7.80 \\
+146 &                                & 2 & 13 & $^1B_{1g}$    & 1 & R & p3p & 95.3 &  & 8.08 & exFCI/AVTZ & Y &  & 8.01 & 7.95 & 8.04 & 8.10 & 8.08 & 8.02 & 8.03 & 8.03 & 8.14 & 8.11 & 8.05 & 8.06 & 7.99 & 7.84 & 7.92 \\
+147 &                                & 2 & 13 & $^3B_{1u}$    & 3 & V & ppi & 99.1 &  & 4.54 & exFCI/AVTZ & Y &  & 4.62 & 4.59 & 4.44 & 4.36 & 4.46 &  &  & 4.53 & 4.59 & 4.58 & 4.58 & 4.51 & 4.59 & 4.28 & 4.44 \\
+148 &                                & 2 & 13 & $^3B_{3u}$    & 3 & R & p3s  & 98.5 &  & 7.23 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 7.26 & 7.19 & 7.26 & 7.31 & 7.29 &  &  & 7.24 & 7.41 & 7.37 & 7.31 & 7.32 & 7.23 & 7.05 & 7.14 \\
+149 &                                & 2 & 13 & $^3B_{1g}$    & 3 & R & p3p & 98.4 &  & 7.98 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 7.97 & 7.91 & 7.95 & 8.08 & 8.03 &  &  & 7.98 & 8.12 & 8.08 & 8.02 & 8.03 & 7.95 & 7.80 & 7.88 \\
+150 & Formaldehyde  & 2 & 13 & $^1A_2$   & 1 & V & npi & 91.5 &  & 3.98 & exFCI/AVTZ & Y &  & 4.04 & 4.07 & 3.93 & 3.91 & 4.01 & 3.97 & 3.98 & 3.97 & 4.09 & 4.22 & 4.17 & 3.90 & 3.92 & 3.90 & 3.91 \\
+151 &                                & 2 & 13 & $^1B_2$   & 1 & R & n3s & 91.7 & 0.021 & 7.23 & exFCI/AVTZ & Y &  & 6.64 & 6.56 & 7.19 & 7.19 & 7.23 & 7.18 & 7.21 & 7.18 & 7.06 & 7.11 & 6.93 & 6.88 & 6.50 & 7.62 & 7.06 \\
+152 &                                & 2 & 13 & $^1B_2$   & 1 & R & n3p & 92.4 & 0.037 & 8.13 & exFCI/AVTZ & Y &  & 7.56 & 7.57 & 8.11 & 8.05 & 8.12 & 8.08 & 8.11 & 8.07 & 8.01 & 8.04 & 7.88 & 7.83 & 7.53 & 8.45 & 7.99 \\
+153 &                                & 2 & 13 & $^1A_1$   & 1 & R & n3p & 91.9 & 0.052 & 8.23 & exFCI/AVTZ & Y &  & 8.16 & 7.52 & 8.19 & 8.18 & 8.21 & 8.17 & 8.21 & 8.18 & 8.01 & 8.06 & 7.88 & 7.83 & 7.47 & 8.61 & 8.04 \\
+154 &                                & 2 & 13 & $^1A_2$   & 1 & R & n3p & 91.7 &  & 8.67 & exFCI/AVTZ & Y &  & 8.04 & 8.04 & 8.63 & 8.68 & 8.65 & 8.63 & 8.66 & 8.64 & 8.48 & 8.53 & 8.37 & 8.30 & 7.99 & 9.02 & 8.51 \\
+155 &                                & 2 & 13 & $^1B_1$   & 1 & V & non-d & 90.8 & 0.001 & 9.22 & exFCI/AVTZ & Y &  & 9.38 & 9.32 & 9.22 & 9.08 & 9.28 & 9.20 & 9.20 & 9.19 & 9.31 & 9.45 & 9.41 & 9.11 & 9.17 & 9.17 & 9.17 \\
+156 &                                & 2 & 13 & $^1A_1$   & 1 & V & ppi & 90.4 & 0.135 & 9.43 & exFCI/AVTZ & Y &  & 9.08 & 9.54 & 9.54 &  & 9.67 & 9.51 & 9.51 & 9.48 & 9.62 & 9.81 & 9.76 & 9.45 & 9.46 & 9.05 & 9.26 \\
+157 &                                & 2 & 13 & $^3A_2$   & 3 & V & npi & 98.1 &  & 3.58 & exFCI/AVTZ & Y &  & 3.58 & 3.59 & 3.49 & 3.54 & 3.56 &  &  & 3.57 & 3.72 & 3.84 & 3.75 & 3.55 & 3.46 & 3.48 & 3.47 \\
+158 &                                & 2 & 13 & $^3A_1$   & 3 & V & ppi & 99.0 &  & 6.06 & exFCI/AVTZ & Y &  & 6.27 & 6.30 & 6.09 & 5.89 & 5.97 &  &  & 6.05 & 6.10 & 6.18 & 6.22 & 6.00 & 6.20 & 5.71 & 5.96 \\
+159 &                                & 2 & 13 & $^3B_2$   & 3 & R & n3s & 97.1 &  & 7.06 & exFCI/AVTZ & Y &  & 6.66 & 6.44 & 7.03 & 7.07 & 7.08 &  &  & 7.03 & 6.97 & 7.02 & 6.83 & 6.80 & 6.39 & 7.44 & 6.92 \\
+160 &                                & 2 & 13 & $^3B_2$   & 3 & R & n3p & 97.4 &  & 7.94 & exFCI/AVTZ & Y &  & 7.52 & 7.45 & 7.92 & 7.98 & 7.94 &  &  & 7.92 & 7.90 & 7.93 & 7.77 & 7.73 & 7.41 & 8.23 & 7.82 \\
+161 &                                & 2 & 13 & $^3A_1$   & 3 & R & n3p & 97.2 &  & 8.10 & exFCI/AVTZ & Y &  & 7.68 & 7.44 & 8.06 & 8.15 & 8.09 &  &  & 8.08 & 7.96 & 8.00 & 7.81 & 7.78 & 7.40 & 8.46 & 7.93 \\
+162 &                                & 2 & 13 & $^3B_1$   & 3 & R & non-d & 97.9 &  & 8.42 & exFCI/AVTZ & Y &  & 8.57 & 8.52 & 8.40 & 8.36 & 8.43 &  &  & 8.41 & 8.66 & 8.78 & 8.69 & 8.49 & 8.39 & 8.32 & 8.36 \\
+163 &                                & 2 & 13 & $^1A^{\prime\prime}$ [F] & 1 & V & npi & 87.8 & 0.000 & 2.80 & exFCI/AVTZ & Y &  & 2.90 & 2.97 & 2.86 & 2.81 & 2.93 & 2.86 & 2.86 & 2.84 & 2.88 & 3.12 & 3.07 & 2.66 & 2.71 & 2.77 & 2.74 \\
+164 & Formamide  & 3 & 13 & $^1A^{\prime\prime}$   & 1 & V & npi & 90.8 & 0.000 & 5.65 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 5.58 & 5.69 & 5.66 & 5.72 & 5.69 & 5.66 & 5.67 & 5.66 & 5.61 & 5.81 & 5.77 & 5.39 & 5.45 & 5.75 & 5.60 \\
+165 &  & 3 & 13 & $^1A^\prime$    & 1 & R & n3s & 88.6 & 0.001 & 6.77 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & N &  &  &  &  &  &  &  &  & 6.74 &  &  &  &  &  &  &  \\
+166 &  & 3 & 13 & $^1A^\prime$    & 1 & R & n3p & 89.6 & 0.111 & 7.38 & CCSDT/AVTZ & N &  &  &  &  &  &  &  &  & 7.40 &  &  &  &  &  &  &  \\
+167 &  & 3 & 13 & $^1A^\prime$    & 1 & V & ppi & 89.3 & 0.251 & 7.63 & exFCI/AVTZ & N &  &  &  &  &  &  &  &  & 7.62 &  &  &  &  &  &  &  \\
+168 &                                & 3 & 13 & $^3A^{\prime\prime}$   & 3 & V & npi & 97.7 &  & 5.38 & exFCI/AVDZ + [CC3/AVTZ - CCS3/AVDZ] & Y &  & 5.31 & 5.36 & 5.35 & 5.29 & 5.36 &  &  & 5.38 & 5.39 & 5.57 & 5.50 & 5.19 & 5.15 & 5.42 & 5.29 \\
+169 &                                & 3 & 13 & $^3A^\prime$   & 3 & V & ppi & 98.2 &  & 5.81 & exFCI/AVDZ + [CC3/AVTZ - CCS3/AVDZ] & Y &  & 6.07 & 5.99 & 5.91 & 5.74 & 5.77 &  &  & 5.82 & 5.98 & 6.05 & 6.03 & 5.82 & 5.88 & 5.63 & 5.76 \\
+170 & Formylfluoride & 3 & 13 & $^1A^{\prime\prime}$    & 1 & V & npi & 91.2 &  & 5.96 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 6.03 & 6.14 & 6.00 & 5.88 & 6.02 & 5.99 & 6.00 & 5.99 & 5.99 & 6.19 & 6.17 & 5.78 & 5.91 & 5.93 & 5.92 \\
+171 &  & 3 & 13 & $^3A{\prime\prime}$ & 3 & V & npi & 98.0 & 0.001 & 5.63 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 5.63 & 5.70 & 5.60 & 5.51 & 5.60 &  &  & 5.62 & 5.67 & 5.85 & 5.80 & 5.48 & 5.50 & 5.54 & 5.52 \\
+172 & Furan & 5 & 56 & $^1A_2$   & 1 & R & p3s & 93.8 &  & 6.09 & CCSDT/AVTZ & Y &  & 6.16 & 6.06 & 6.33 & 6.15 & 6.17 & 6.10 & 6.09 & 6.08 & 6.28 & 6.22 & 6.17 & 6.18 & 6.12 & 5.95 & 6.04 \\
+173 &  & 5 & 56 & $^1B_2$   & 1 & V & ppi & 93.0 & 0.163 & 6.37 & CCSDT/AVTZ & Y &  & 6.59 & 6.45 & 6.67 & 6.45 & 6.51 & 6.38 & 6.37 & 6.34 & 6.54 & 6.52 & 6.50 & 6.38 & 6.47 & 6.15 & 6.31 \\
+174 &  & 5 & 56 & $^1A_1$    & 1 & V & ppi & 92.4 & 0.000 & 6.56 & CCSDT/AVTZ & Y &  & 7.01 & 6.77 & 7.02 &  & 6.85 & 6.68 & 6.65 & 6.58 & 6.83 & 6.83 & 6.81 & 6.60 & 6.76 & 6.48 & 6.62 \\
+175 &  & 5 & 56 & $^1B_1$    & 1 & R & p3p & 93.9 & 0.038 & 6.64 & CCSDT/AVTZ & Y &  & 6.67 & 6.59 & 6.86 & 6.70 & 6.71 & 6.65 & 6.64 & 6.63 & 6.81 & 6.75 & 6.70 & 6.70 & 6.64 & 6.49 & 6.57 \\
+176 &  & 5 & 56 & $^1A_2$    & 1 & R & p3p & 93.6 &  & 6.81 & CCSDT/AVTZ & Y &  & 6.84 & 6.75 & 7.05 & 6.93 & 6.89 & 6.82 & 6.81 & 6.80 & 7.00 & 6.94 & 6.88 & 6.90 & 6.82 & 6.67 & 6.75 \\
+177 &  & 5 & 56 & $^1B_2$   & 1 & R & p3p & 93.5 & 0.007 & 7.24 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 7.34 & 7.25 & 7.48 & 7.35 & 7.32 & 7.25 &  & 7.23 & 7.39 & 7.34 & 7.38 & 7.28 & 7.29 & 7.09 & 7.19 \\
+178 &  & 5 & 56 & $^3B_2$   & 3 & V & ppi & 98.4 &  & 4.20 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.51 & 4.43 & 4.39 & 4.17 & 4.15 &  &  & 4.22 & 4.40 & 4.41 & 4.41 & 4.28 & 4.41 & 3.91 & 4.16 \\
+179 &  & 5 & 56 & $^3A_1$   & 3 & V & ppi & 98.1 &  & 5.46 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.69 & 5.66 & 5.59 & 5.61 & 5.47 &  &  & 5.48 & 5.46 & 5.49 & 5.55 & 5.33 & 5.59 & 5.23 & 5.41 \\
+180 &  & 5 & 56 & $^3A_2$   & 3 & R & p3s & 97.9 &  & 6.02 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.13 & 6.01 & 6.26 & 6.20 & 6.11 &  &  & 6.02 & 6.26 & 6.20 & 6.14 & 6.15 & 6.08 & 5.89 & 5.99 \\
+181 &  & 5 & 56 & $^3B_1$   & 3 & R & p3p & 97.9 &  & 6.59 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.64 & 6.55 & 6.81 & 6.73 & 6.66 &  &  & 6.59 & 6.78 & 6.73 & 6.67 & 6.68 & 6.61 & 6.45 & 6.53 \\
+182 & Glyoxal & 4 & 4 & $^1A_u$   & 1 & V & npi & 91.0 & 0.000 & 2.88 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 3.01 & 2.91 & 3.05 & 2.86 & 3.01 & 2.92 & 2.91 & 2.88 & 3.13 & 3.21 & 3.11 & 2.91 & 2.83 & 2.83 & 2.83 \\
+183 &  & 4 & 4 & $^1B_g$   & 1 & V & npi & 88.3 &  & 4.24 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 4.46 & 4.44 & 4.41 & 4.32 & 4.42 & 4.32 & 4.30 & 4.27 & 4.49 & 4.63 & 4.57 & 4.27 & 4.27 & 4.23 & 4.25 \\
+184 &  & 4 & 4 & $^1A_g$ & 1 & V & dou & 0.5 & 0.000 & 5.61 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  &  &  &  &  &  &  & 7.26 & 6.76 &  &  &  &  &  & 5.26 &  \\
+185 &  & 4 & 4 & $^1B_g$    & 1 & V & npi & 83.9 &  & 6.57 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 7.01 & 6.51 & 7.16 &  & 7.12 & 6.75 & 6.73 & 6.58 & 7.20 & 7.22 & 6.98 & 6.94 & 6.50 & 6.80 & 6.65 \\
+186 &  & 4 & 4 & $^1B_u$    & 1 & R & n3p & 91.7 & 0.095 & 7.71 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 7.25 & 7.16 & 7.90 & 7.94 & 7.84 & 7.71 & 7.74 & 7.67 & 7.80 & 7.78 & 7.57 & 7.51 & 7.18 & 7.86 & 7.52 \\
+187 &  & 4 & 4 & $^3A_u$   & 3 & V & npi & 97.6 &  & 2.49 & CCSDT/AVTZ & Y &  & 2.59 & 2.47 & 2.60 & 2.44 & 2.56 &  &  & 2.49 & 2.76 & 2.84 & 2.72 & 2.57 & 2.39 & 2.40 & 2.40 \\
+188 &  & 4 & 4 & $^3B_g$   & 3 & V & npi & 97.4 &  & 3.89 & CCSDT/AVTZ & Y &  & 4.00 & 3.96 & 3.96 & 3.88 & 3.96 &  &  & 3.90 & 4.11 & 4.24 & 4.15 & 3.92 & 3.82 & 3.85 & 3.84 \\
+189 &  & 4 & 4 & $^3B_u$   & 3 & V & ppi & 98.5 &  & 5.15 & CCSDT/AVTZ & Y &  & 5.47 & 5.42 & 5.32 & 4.92 & 5.10 &  &  & 5.17 & 5.32 & 5.40 & 5.41 & 5.19 & 5.33 & 4.83 & 5.08 \\
+190 &  & 4 & 4 & $^3A_g$   & 3 & V & ppi & 98.8 &  & 6.30 & CCSDT/AVTZ & Y &  & 6.54 & 6.56 & 6.38 & 6.13 & 6.23 &  &  & 6.30 & 6.35 & 6.42 & 6.47 & 6.24 & 6.45 & 5.93 & 6.19 \\
+191 & \ce{HCCl} & 3 & 13 & $^1A{\prime\prime}$ & 1 & V & spi & 94.5 & 0.003 & 1.98 & exFCI/AVTZ & Y &  & 1.95 & 1.91 & 1.65 & 1.80 & 1.99 & 1.95 & 1.98 & 1.97 & 2.01 & 2.06 & 2.01 & 1.88 & 1.84 & 1.81 & 1.83 \\
+192 & \ce{HCF} & 3 & 13 & $^1A{\prime\prime}$ & 1 & V & spi & 95.4 & 0.006 & 2.49 & exFCI/AVTZ & Y &  & 2.54 & 2.44 & 2.19 & 2.32 & 2.51 & 2.48 & 2.50 & 2.49 & 2.51 & 2.58 & 2.53 & 2.38 & 2.34 & 2.30 & 2.32 \\
+193 & \ce{HCP} & 2 & 13 & $^1\Sigma^-$   & 1 & V & ppi & 94.9 &  & 4.84 & exFCI/AVTZ & Y &  & 5.07 & 5.07 & 4.83 & 4.90 & 4.87 & 4.85 & 4.84 & 4.85 & 5.02 & 5.07 & 5.07 & 4.91 & 5.02 & 4.37 & 4.70 \\
+194 &  & 2 & 13 & $^1\Delta$ & 1 & V & ppi & 94.0 &  & 5.15 & exFCI/AVTZ & Y &  & 5.40 & 5.41 & 5.12 & 5.22 & 5.16 & 5.16 & 5.14 & 5.15 & 5.23 & 5.29 & 5.33 & 5.12 & 5.33 & 4.66 & 5.00 \\
+195 &  & 2 & 13 & $^3\Sigma^+$   & 3 & V & ppi & 98.9 &  & 3.47 & exFCI/AVTZ & Y &  & 3.74 & 3.73 & 3.55 & 3.41 & 3.36 &  &  & 3.45 & 3.37 & 3.38 & 3.50 & 3.30 & 3.69 & 3.10 & 3.40 \\
+196 &  & 2 & 13 & $^3\Delta$ & 3 & V & ppi & 98.8 &  & 4.22 & exFCI/AVTZ & Y &  & 4.44 & 4.43 & 4.23 & 4.20 & 4.17 &  &  & 4.22 & 4.47 & 4.52 & 4.49 & 4.39 & 4.39 & 3.79 & 4.09 \\
+197 & \ce{HPO} & 2 & 13 & $^1A^{\prime\prime}$  & 1 & V & npi & 90.9 & 0.003 & 2.47 & exFCI/AVTZ & Y &  & 2.54 & 2.50 & 2.44 & 2.45 & 2.54 & 2.48 & 2.48 & 2.46 & 2.57 & 2.68 & 2.62 & 2.39 & 2.35 & 2.35 & 2.35 \\
+198 & \ce{HPS} & 2 & 13 & $^1A^{\prime\prime}$  & 1 & V & npi & 90.3 & 0.001 & 1.59 & exFCI/AVTZ & Y &  & 1.68 & 1.68 & 1.39 & 1.55 & 1.67 & 1.59 & 1.60 & 1.59 & 1.74 & 1.79 & 1.75 & 1.60 & 1.62 & 1.39 & 1.51 \\
+199 & \ce{HSiF} & 2 & 13 & $^1A^{\prime\prime}$  & 1 & V & spi & 93.1 & 0.024 & 3.05 & exFCI/AVTZ & Y &  & 3.16 & 3.14 & 2.78 & 3.02 & 3.12 & 3.07 & 3.08 & 3.07 & 3.22 & 3.24 & 3.21 & 3.12 & 3.11 & 2.88 & 3.00 \\
+200 & Hydrogen chloride  & 1 & 13 & $^1\Pi$   & 1 & CT & CT & 94.3 & 0.056 & 7.84 & exFCI/AVTZ & Y &  & 7.98 & 7.96 & 7.73 & 7.91 & 7.91 & 7.84 & 7.85 & 7.84 & 7.98 & 7.98 & 7.97 & 7.87 & 7.97 & 7.79 & 7.88 \\
+201 & Hydrogen sulfide   & 1 & 13 & $^1A_2$   & 1 & R & n3p & 94.6 &  & 6.18 & exFCI/AVTZ & Y &  & 6.38 & 6.35 & 6.00 & 6.23 & 6.25 & 6.25 & 6.23 & 6.19 & 6.30 & 6.28 & 6.31 & 6.20 & 6.37 & 6.05 & 6.21 \\
+202 &                                & 1 & 13 & $^1B_1$   & 1 & R & n3p & 94.3 & 0.063 & 6.24 & exFCI/AVTZ & Y &  & 6.33 & 6.30 & 6.14 & 6.31 & 6.29 & 6.29 & 6.28 & 6.24 & 6.39 & 6.37 & 6.35 & 6.30 & 6.34 & 6.18 & 6.26 \\
+203 &                                & 1 & 13 & $^3A_2$   & 3 & R & n3p & 98.7 &  & 5.81 & exFCI/AVTZ & Y &  & 5.94 & 5.91 & 5.61 & 5.96 & 5.85 &  &  & 5.82 & 5.93 & 5.93 & 5.92 & 5.85 & 5.91 & 5.67 & 5.79 \\
+204 &                                & 1 & 13 & $^3B_1$   & 3 & R & n3p & 98.4 &  & 5.88 & exFCI/AVTZ & Y &  & 5.99 & 5.94 & 5.75 & 5.98 & 5.92 &  &  & 5.88 & 6.05 & 6.03 & 6.00 & 5.97 & 5.96 & 5.81 & 5.89 \\
+205 & Imidazole & 5 & 56 & $^1A^{\prime\prime}$   & 1 & R & p3s & 93.0 & 0.001 & 5.71 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.81 & 5.69 & 6.00 & 5.91 & 5.80 & 5.73 & 5.72 & 5.71 & 5.95 & 5.90 & 5.83 & 5.84 & 5.75 & 5.61 & 5.68 \\
+206 &  & 5 & 56 & $^1A^\prime$   & 1 & V & ppi & 89.6 & 0.124 & 6.41 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.73 & 6.51 & 6.80 & 6.76 & 6.59 & 6.47 & 6.46 & 6.41 & 6.56 & 6.55 & 6.53 & 6.37 & 6.50 & 6.31 & 6.41 \\
+207 &  & 5 & 56 & $^1A^{\prime\prime}$   & 1 & V & npi & 93.6 & 0.028 & 6.50 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.52 & 6.47 & 6.76 & 6.66 & 6.58 & 6.53 & 6.51 & 6.50 & 6.67 & 6.63 & 6.58 & 6.56 & 6.51 & 6.39 & 6.45 \\
+208 &  & 5 & 56 & $^1A^\prime$   & 1 & R & p3p & 88.9 & 0.035 & 6.83 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & N &  &  & 6.41 &  & 6.92 & 7.02 & 6.93 & 6.91 & 6.87 &  &  &  &  &  &  &  \\
+209 &  & 5 & 56 & $^3A^\prime$   & 3 & V & ppi & 98.3 &  & 4.73 & CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & Y &  & 5.04 & 4.94 & 4.92 & 4.66 & 4.68 &  &  & 4.75 & 4.90 & 4.91 & 4.92 & 4.77 & 4.92 & 4.47 & 4.70 \\
+210 &  & 5 & 56 & $^3A^{\prime\prime}$   & 3 & R & p3s & 97.6 &  & 5.66 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.80 & 5.66 & 5.96 & 5.87 & 5.77 &  &  & 5.67 & 5.93 & 5.89 & 5.81 & 5.82 & 5.72 & 5.57 & 5.65 \\
+211 &  & 5 & 56 & $^3A^\prime$   & 3 & V & ppi & 97.9 &  & 5.74 & CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & Y &  & 6.06 & 5.94 & 5.99 & 5.60 & 5.77 &  &  & 5.74 & 5.82 & 5.83 & 5.88 & 5.68 & 5.93 & 5.49 & 5.71 \\
+212 &  & 5 & 56 & $^3A^{\prime\prime}$   & 3 & V & npi & 97.3 &  & 6.31 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.47 & 6.36 & 6.53 & 6.28 & 6.40 &  &  & 6.33 & 6.54 & 6.57 & 6.50 & 6.35 & 6.31 & 6.26 & 6.29 \\
+213 & Isobutene & 4 & 4 & $^1B_1$   & 1 & R & p3s & 94.1 & 0.006 & 6.46 & CCSDT/AVTZ & Y &  & 6.46 & 6.37 & 6.56 & 6.59 & 6.54 & 6.46 & 6.47 & 6.45 & 6.73 & 6.69 & 6.58 & 6.62 & 6.43 & 6.33 & 6.38 \\
+214 &  & 4 & 4 & $^1A_1$   & 1 & R & p3p & 94.2 & 0.228 & 7.01 & CCSDT/AVTZ & Y &  & 7.01 & 6.95 & 7.06 & 7.11 & 7.09 & 7.00 & 7.01 & 7.00 & 7.19 & 7.18 & 7.11 & 7.07 & 6.97 & 6.82 & 6.90 \\
+215 &  & 4 & 4 & $^3A_1$   & 3 & V & ppi & 98.9 &  & 4.53 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.68 & 4.62 & 4.52 & 4.22 & 4.48 &  &  & 4.53 & 4.64 & 4.64 & 4.63 & 4.55 & 4.62 & 4.30 & 4.46 \\
+216 & Ketene  & 3 & 13 & $^1A_2$   & 1 & V & ppi & 91.0 &  & 3.86 & exFCI/AVTZ & Y &  & 4.18 & 4.17 & 4.05 & 3.84 & 3.97 & 3.92 & 3.90 & 3.88 & 4.09 & 4.14 & 4.15 & 3.91 & 4.11 & 3.67 & 3.89 \\
+217 &                                & 3 & 13 & $^1B_1$   & 1 & R & n3s & 93.9 & 0.035 & 6.01 & exFCI/AVTZ & Y &  & 6.09 & 5.94 & 6.21 & 6.08 & 6.09 & 5.99 & 5.99 & 5.96 & 6.25 & 6.16 & 5.09 & 6.13 & 6.03 & 5.87 & 5.95 \\
+218 &                                & 3 & 13 & $^1A_2$   & 1 & R & p3p & 94.4 &  & 7.18 & exFCI/AVTZ & Y &  & 7.25 & 7.09 & 7.43 & 7.29 & 7.29 & 7.19 & 7.20 & 7.16 & 7.44 & 7.33 & 7.25 & 7.32 & 7.18 & 7.07 & 7.13 \\
+219 &                                & 3 & 13 & $^3A_2$   & 3 & V & npi & 91.0 &  & 3.77 & exFCI/AVTZ & Y &  & 4.00 & 3.98 & 3.90 & 3.82 & 3.83 &  &  & 3.78 & 3.99 & 4.03 & 4.01 & 3.82 & 3.92 & 3.56 & 3.74 \\
+220 &                                & 3 & 13 & $^3A_1$   & 3 & V & ppi & 98.6 &  & 5.61 & exFCI/AVTZ & Y &  & 5.79 & 5.72 & 5.66 & 5.53 & 5.55 &  &  & 5.61 & 5.71 & 5.73 & 5.73 & 5.58 & 5.67 & 5.39 & 5.53 \\
+221 &                                & 3 & 13 & $^3B_1$   & 3 & R & n3p & 98.1 &  & 5.79 & exFCI/AVTZ & Y &  & 5.94 & 5.77 & 6.00 & 5.91 & 5.89 &  &  & 5.76 & 6.11 & 6.02 & 5.94 & 6.00 & 5.85 & 5.67 & 5.76 \\
+222 &                                & 3 & 13 & $^3A_2$   & 3 & R & p3p & 94.4 &  & 7.12 & exFCI/AVTZ & Y &  & 7.24 & 7.06 & 7.39 & 7.32 & 7.25 &  &  & 7.12 & 7.42 & 7.32 & 7.22 & 7.31 & 7.15 & 7.03 & 7.09 \\
+223 &                                & 3 & 13 & $^1A^{\prime\prime}$ [F]  & 1 & V & ppi & 87.9 & 0.000 & 1.00 & exFCI/AVTZ & Y &  & 1.28 & 1.26 & 1.22 & 1.03 & 1.13 & 1.06 & 1.03 & 1.00 & 1.23 & 1.31 & 1.30 & 1.04 & 1.19 & 0.67 & 0.93 \\
+224 & Methanimine  & 2 & 13 & $^1A^{\prime\prime}$   & 1 & V & npi & 90.7 & 0.003 & 5.23 & exFCI/AVTZ & Y &  & 5.38 & 5.32 & 5.15 & 5.20 & 5.28 & 5.20 & 5.22 & 5.20 & 5.45 & 5.48 & 5.43 & 5.28 & 5.29 & 5.05 & 5.17 \\
+225 &                                & 2 & 13 & $^3A^{\prime\prime}$   & 3 & V & npi & 98.1 &  & 4.65 & exFCI/AVTZ & Y &  & 4.71 & 4.65 & 4.52 & 4.62 & 4.63 &  &  & 4.61 & 4.87 & 4.90 & 4.81 & 4.72 & 4.61 & 4.44 & 4.53 \\
+226 & Methylenecyclopropene & 4 & 4 & $^1B_2$   & 1 & V & ppi & 85.4 & 0.011 & 4.28 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 4.72 & 4.51 & 4.54 & 4.76 & 4.58 & 4.35 & 4.38 & 4.31 & 4.79 & 4.86 & 4.74 & 4.61 & 4.46 & 4.18 & 4.32 \\
+227 &  & 4 & 4 & $^1B_1$   & 1 & R & p3s & 93.6 & 0.005 & 5.44 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 5.43 & 5.35 & 5.54 & 5.45 & 5.48 & 5.44 & 5.45 & 5.44 & 5.60 & 5.59 & 5.51 & 5.50 & 5.38 & 5.26 & 5.32 \\
+228 &  & 4 & 4 & $^1A_2$   & 1 & R & p3p & 93.3 &  & 5.96 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 5.94 & 5.85 & 6.05 & 6.01 & 6.00 & 5.96 & 5.97 & 5.95 & 6.14 & 6.13 & 6.04 & 6.04 & 5.87 & 5.78 & 5.83 \\
+229 &  & 4 & 4 & $^1A_1$  & 1 & V & ppi & 92.8 & 0.224 & 6.12 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & N &  & 6.14 & 6.09 & 6.21 & 6.21 & 6.18 & 6.12 & 6.14 & 6.13 & 6.24 & 6.26 & 6.20 & 6.12 & 6.09 & 5.91 & 6.00 \\
+230 &  & 4 & 4 & $^3B_2$   & 3 & V & ppi & 97.2 &  & 3.49 & CCSDT/AVTZ & Y &  & 3.94 & 3.64 & 3.62 & 3.67 & 3.57 &  &  & 3.50 & 3.81 & 3.84 & 3.78 & 3.68 & 3.61 & 3.30 & 3.46 \\
+231 &  & 4 & 4 & $^3A_1$  & 3 & V & ppi & 98.6 &  & 4.74 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.86 & 4.81 & 4.75 & 4.78 & 4.69 &  &  & 4.74 & 4.86 & 4.87 & 4.86 & 4.75 & 4.80 & 4.51 & 4.66 \\
+232 & Nitrosomethane  & 3 & 13 & $^1A^{\prime\prime}$    & 1 & V & npi & 93.0 & 0.000 & 1.96 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 2.03 & 1.98 & 2.01 & 1.80 & 1.98 & 1.96 & 1.96 & 1.96 & 2.04 & 2.12 & 2.07 & 1.83 & 1.88 & 1.72 & 1.80 \\
+233 &  & 3 & 13 & $^1A^\prime$    & 1 & V & dou & 2.5 & 0.000 & 4.72 & exFCI/AVTZ & Y &  &  &  &  &  &  &  & 6.02 & 5.76 &  &  &  &  &  & 3.00 &  \\
+234 &                                & 3 & 13 & $^1A^\prime$    & 1 & R & non-d & 90.8 & 0.006 & 6.40 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 5.89 & 5.84 & 6.49 & 6.51 & 6.43 & 6.33 & 6.38 & 6.31 & 6.48 & 6.45 & 6.25 & 6.29 & 5.86 & 6.48 & 6.17 \\
+235 &                                & 3 & 13 & $^3A^{\prime\prime}$    & 3 & V & npi & 98.4 &  & 1.16 & exFCI/AVTZ & Y &  & 1.18 & 1.12 & 1.14 & 0.99 & 1.11 &  &  & 1.14 & 1.28 & 1.36 & 1.28 & 1.11 & 1.03 & 0.84 & 0.94 \\
+236 &                                & 3 & 13 & $^3A^\prime$    & 3 & V & ppi & 98.9 &  & 5.60 & exFCI/AVTZ & Y &  & 5.89 & 5.84 & 5.68 & 5.04 & 5.43 &  &  & 5.51 & 5.58 & 5.64 & 5.71 & 5.46 & 5.75 & 5.04 & 5.40 \\
+237 &                                & 3 & 13 & $^1A^{\prime\prime}$  [F] & 1 & V & npi & 92.7 & 0.000 & 1.67 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 1.73 & 1.68 & 1.72 & 1.49 & 1.68 & 1.67 & 1.67 & 1.69 & 1.72 & 1.82 & 1.77 & 1.51 & 1.55 & 1.40 & 1.48 \\
+238 & Propynal & 4 & 4 &  $^1A^{\prime\prime}$   & 1 & V & npi & 89.0 & 0.000 & 3.80 & CCSDT/AVTZ & Y &  & 3.95 & 3.96 & 3.95 & 3.82 & 3.84 & 3.86 & 3.85 & 3.82 & 4.00 & 4.16 & 4.09 & 3.78 & 3.78 & 3.81 & 3.80 \\
+239 &  & 4 & 4 & $^1A^{\prime\prime}$   & 1 & V & ppi & 92.9 & 0.000 & 5.54 & CCSDT/AVTZ & Y &  & 5.95 & 5.71 & 5.79 & 5.72 & 5.69 & 5.57 & 5.55 & 5.51 & 5.93 & 5.93 & 5.86 & 5.77 & 5.73 & 5.20 & 5.47 \\
+240 &  & 4 & 4 & $^3A^{\prime\prime}$   & 3 & V & npi & 97.4 &  & 3.47 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 3.55 & 3.53 & 3.55 & 3.40 & 3.53 &  &  & 3.49 & 3.68 & 3.81 & 3.72 & 3.48 & 3.38 & 3.45 & 3.42 \\
+241 &  & 4 & 4 & $^3A^\prime$   & 3 & V & ppi & 98.3 &  & 4.47 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.81 & 4.71 & 4.65 & 4.38 & 4.40 &  &  & 4.43 & 4.63 & 4.66 & 4.68 & 4.51 & 4.67 & 4.10 & 4.39 \\
+242 & Pyrazine & 6 & 56 & $^1B_{3u}$    & 1 & V & npi & 90.1 & 0.006 & 4.15 & CCSDT/AVTZ & Y &  & 4.37 & 4.14 & 4.58 & 4.10 & 4.32 & 4.21 & 4.20 & 4.14 & 4.46 & 4.44 & 4.34 & 4.24 & 4.17 & 4.13 & 4.15 \\
+243 &  & 6 & 56 & $^1A_u$    & 1 & V & npi & 88.6 &  & 4.98 & CCSDT/AVTZ & Y &  & 4.91 & 4.86 & 5.40 & 5.04 & 5.23 & 5.04 & 5.06 & 4.97 & 5.31 & 5.28 & 5.14 & 5.07 & 4.88 & 5.21 & 5.05 \\
+244 &  & 6 & 56 & $^1B_{2u}$    & 1 & V & ppi & 86.9 & 0.078 & 5.02 & CCSDT/AVTZ & Y &  & 5.26 & 5.14 & 5.50 & 4.83 & 5.15 & 5.09 & 5.06 & 5.03 & 4.95 & 4.93 & 5.00 & 4.71 & 5.17 & 4.88 & 5.03 \\
+245 &  & 6 & 56 & $^1B_{2g}$    & 1 & V & npi & 85.6 &  & 5.71 & CCSDT/AVTZ & Y &  & 6.22 & 5.86 & 6.23 & 5.71 & 6.00 & 5.84 & 5.80 & 5.71 & 6.11 & 6.10 & 6.02 & 5.89 & 5.87 & 5.67 & 5.77 \\
+246 &  & 6 & 56 & $^1A_g$    & 1 & R & n3s & 91.1 &  & 6.65 & CCSDT/AVTZ & Y &  & 6.20 & 6.20 & 7.04 & 6.86 & 6.83 & 6.71 & 6.74 & 6.66 & 6.99 & 6.89 & 6.66 & 6.82 & 6.30 & 6.96 & 6.63 \\
+247 &  & 6 & 56 & $^1B_{1g}$    & 1 & V & npi & 84.2 &  & 6.74 & CCSDT/AVTZ & Y &  & 7.31 & 6.67 & 7.30 & 7.33 & 7.14 & 6.85 & 6.87 & 6.73 & 7.11 & 7.09 & 6.95 & 6.84 & 6.67 & 7.00 & 6.84 \\
+248 &  & 6 & 56 & $^1B_{1u}$    & 1 & V & ppi & 92.8 & 0.063 & 6.88 & CCSDT/AVTZ & Y &  & 7.13 & 6.89 & 7.14 &  & 6.96 & 6.90 & 6.88 & 6.86 & 6.78 & 6.81 & 6.85 & 6.60 & 6.88 & 6.66 & 6.77 \\
+249 &  & 6 & 56 & $^1B_{1g}$    & 1 & R & p3s & 93.8 &  & 7.21 & CCSDT/AVTZ & Y &  & 7.31 & 7.21 & 7.50 &  & 7.26 & 7.22 & 7.21 & 7.20 & 7.33 & 7.27 & 7.25 & 7.22 & 7.27 & 7.18 & 7.23 \\
+250 &  & 6 & 56 & $^1B_{2u}$    & 1 & R & n3p & 90.8 & 0.037 & 7.24 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 7.30 & 6.74 & 7.66 & 7.49 & 7.44 & 7.31 & 7.35 & 7.25 & 7.58 & 7.47 & 7.22 & 7.40 &  &  &  \\
+251 &  & 6 & 56 & $^1B_{1u}$    & 1 & R & n3p & 91.4 & 0.128 & 7.44 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 7.19 & 7.03 &  &  & 7.60 & 7.50 & 7.52 & 7.45 &  &  &  &  &  &  &  \\
+252 &  & 6 & 56 & $^1B_{1u}$    & 1 & V & ppi & 90.5 & 0.285 & 7.98 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & N &  & 7.85 &  &  &  & 8.20 & 7.98 & 8.02 & 7.94 &  &  &  &  &  &  &  \\
+253 &  & 6 & 56 & $^3B_{3u}$    & 3 & V & npi & 97.3 &  & 3.59 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 3.84 & 3.60 & 3.94 & 3.48 & 3.70 &  &  & 3.59 & 3.95 & 3.93 & 3.82 & 3.75 & 3.62 & 3.52 & 3.57 \\
+254 &  & 6 & 56 & $^3B_{1u}$    & 3 & V & ppi & 98.5 &  & 4.35 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.76 & 4.60 & 4.60 & 3.93 & 4.19 &  &  & 4.39 & 4.53 & 4.53 & 4.55 & 4.41 & 4.57 & 4.05 & 4.31 \\
+255 &  & 6 & 56 & $^3B_{2u}$    & 3 & V & ppi & 97.6 &  & 4.39 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.67 & 4.57 & 4.72 & 4.32 & 4.40 &  &  & 4.40 & 4.53 & 4.52 & 4.54 & 4.35 & 4.59 & 4.10 & 4.35 \\
+256 &  & 6 & 56 & $^3A_u$    & 3 & V & npi & 96.1 &  & 4.93 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.93 & 4.82 & 5.34 & 4.97 & 5.16 &  &  & 4.93 & 5.31 & 5.28 & 5.12 & 5.08 & 4.84 & 5.15 & 5.00 \\
+257 &  & 6 & 56 & $^3B_{2g}$    & 3 & V & npi & 97.0 &  & 5.08 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.41 & 5.17 & 5.39 & 4.89 & 5.21 &  &  & 5.08 & 5.42 & 5.43 & 5.34 & 5.24 &  &  &  \\
+258 &  & 6 & 56 & $^3B_{1u}$    & 3 & V & ppi & 97.0 &  & 5.28 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.59 & 5.59 & 5.70 & 5.21 & 5.35 &  &  & 5.29 & 5.43 & 5.43 & 5.48 & 5.25 &  &  &  \\
+259 & Pyridazine & 6 & 56 & $^1B_1$   & 1 & V & npi & 89.0 & 0.005 & 3.83 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.12 & 3.78 & 4.28 & 3.76 & 4.03 & 3.91 & 3.89 & 3.83 & 4.14 & 4.12 & 4.01 & 3.90 & 3.79 & 3.86 & 3.83 \\
+260 &  & 6 & 56 & $^1A_2$   & 1 & V & npi & 86.9 &  & 4.37 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.84 & 4.26 & 4.85 & 4.44 & 4.65 & 4.46 & 4.47 & 4.37 & 4.71 & 4.68 & 4.54 & 4.46 & 4.27 & 4.60 & 4.44 \\
+261 &  & 6 & 56 & $^1A_1$  & 1 & V & ppi & 85.8 & 0.016 & 5.26 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.51 & 5.43 & 5.77 &  & 5.43 & 5.36 & 5.32 & 5.29 & 5.21 & 5.20 & 5.27 & 4.96 & 5.44 & 5.18 & 5.31 \\
+262 &  & 6 & 56 & $^1A_2$   & 1 & V & npi & 86.2 &  & 5.72 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.62 & 5.79 & 6.27 & 5.76 & 6.01 & 5.84 & 5.82 & 5.74 & 6.17 & 6.15 & 6.03 & 5.93 & 5.81 & 5.74 & 5.78 \\
+263 &  & 6 & 56 & $^1B_2$    & 1 & R & n3s & 88.5 & 0.001 & 6.17 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.83 & 5.59 & 6.65 & 6.45 & 6.42 & 6.27 & 6.31 & 6.17 & 6.50 & 6.41 & 6.14 & 6.31 & 5.69 & 6.67 & 6.18 \\
+264 &  & 6 & 56 & $^1B_1$   & 1 & V & npi & 87.0 & 0.004 & 6.37 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.39 & 6.33 & 6.85 & 6.47 & 6.67 & 6.46 & 6.47 & 6.37 & 6.74 & 6.72 & 6.59 & 6.50 & 6.35 & 6.62 & 6.49 \\
+265 &  & 6 & 56 & $^1B_2$   & 1 & V & ppi & 90.6 & 0.010 & 6.75 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  &  & 6.86 & 7.10 &  & 6.88 & 6.81 & 6.77 & 6.74 & 6.69 & 6.71 & 6.73 & 6.50 & 6.85 &  &  \\
+266 &  & 6 & 56 & $^3B_1$    & 3 & V & npi & 97.1 &  & 3.19 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 3.50 & 3.18 & 3.53 & 3.06 & 3.30 &  &  & 3.19 & 3.54 & 3.53 & 3.41 & 3.33 & 3.19 & 3.12 & 3.16 \\
+267 &  & 6 & 56 & $^3A_2$    & 3 & V & npi & 96.1 &  & 4.11 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.64 & 4.01 & 4.49 & 4.13 & 4.31 &  &  & 4.11 & 4.46 & 4.44 & 4.30 & 4.23 & 4.02 & 4.22 & 4.12 \\
+268 &  & 6 & 56 & $^3B_2$   & 3 & V & ppi & 98.5 &  & 4.34 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & N &  & 4.75 & 4.61 & 4.62 & 3.89 & 4.17 &  &  & 4.38 & 4.51 & 4.51 & 4.55 & 4.39 & 4.60 & 4.07 & 4.34 \\
+269 &  & 6 & 56 & $^3A_1$   & 3 & V & ppi & 97.3 &  & 4.82 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.18 & 5.07 & 5.19 & 4.78 & 4.86 &  &  & 4.83 & 4.95 & 4.96 & 5.00 & 4.78 & 5.06 & 4.46 & 4.76 \\
+270 & Pyridine & 6 & 56 & $^1B_1$   & 1 & V & npi & 88.4 & 0.004 & 4.95 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.22 & 4.99 & 5.36 & 4.94 & 5.17 & 5.04 & 5.03 & 4.96 & 5.31 & 5.30 & 5.20 & 5.09 & 4.98 & 4.99 & 4.99 \\
+271 &  & 6 & 56 & $^1B_2$   & 1 & V & ppi & 86.5 & 0.028 & 5.14 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.40 & 5.32 & 5.57 & 5.03 & 5.29 & 5.23 & 5.20 & 5.17 & 5.10 & 5.09 & 5.17 & 4.87 & 5.33 & 5.08 & 5.21 \\
+272 &  & 6 & 56 & $^1A_2$   & 1 & V & npi & 87.9 &  & 5.40 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.33 & 5.28 & 5.77 & 5.45 & 5.64 & 5.46 & 5.48 & 5.40 & 5.65 & 5.65 & 5.53 & 5.40 & 5.27 & 5.70 & 5.49 \\
+273 &  & 6 & 56 & $^1A_1$   & 1 & V & ppi & 92.1 & 0.010 & 6.62 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.84 & 6.24 & 6.87 & 6.98 & 6.96 & 6.67 & 6.65 & 6.63 & 6.54 & 6.57 & 6.61 & 6.36 & 6.31 & 7.17 & 6.74 \\
+274 &  & 6 & 56 & $^1A_1$   & 1 & R & n3s & 89.7 & 0.011 & 6.76 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.38 & 6.68 & 7.13 &  & 6.71 & 6.83 & 6.86 & 6.76 & 7.04 & 6.96 & 6.73 & 6.85 & 6.65 & 6.39 & 6.52 \\
+275 &  & 6 & 56 & $^1A_2$   & 1 & R & p3s & 93.2 &  & 6.82 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.88 & 6.79 & 7.08 & 6.94 & 6.87 & 6.83 & 6.83 & 6.81 & 6.92 & 6.87 & 6.84 & 6.80 & 6.83 & 6.65 & 6.74 \\
+276 &  & 6 & 56 & $^1B_1$    & 1 & R & p3p & 93.6 & 0.045 & 7.38 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 7.42 & 7.34 & 7.64 & 7.49 & 7.43 & 7.40 & 7.40 & 7.38 & 7.47 & 7.42 & 7.39 & 7.36 & 7.38 & 7.21 & 7.30 \\
+277 &  & 6 & 56 & $^1A_1$   & 1 & V & ppi & 90.5 & 0.291 & 7.39 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 7.56 & 7.45 &  &  & 7.59 & 7.44 & 7.47 & 7.39 & 7.58 & 7.55 & 7.62 & 7.39 & 7.48 & 7.27 & 7.38 \\
+278 &  & 6 & 56 & $^1B_2$   & 1 & V & ppi & 90.0 & 0.319 & 7.40 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & N &  & 7.56 & 7.37 &  &  & 7.55 & 7.40 &  & 7.38 & 7.49 & 7.48 & 7.45 & 7.31 & 7.37 &  &  \\
+279 &  & 6 & 56 & $^3A_1$   & 3 & V & ppi & 98.5 &  & 4.30 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.66 & 4.53 & 4.53 & 3.93 & 4.15 &  &  & 4.33 & 4.49 & 4.49 & 4.50 & 4.38 & 4.53 & 4.06 & 4.30 \\
+280 &  & 6 & 56 & $^3B_1$   & 3 & V & npi & 97.0 &  & 4.46 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.72 & 4.48 & 4.76 & 4.41 & 4.59 &  &  & 4.46 & 4.82 & 4.82 & 4.71 & 4.63 & 4.47 & 4.43 & 4.45 \\
+281 &  & 6 & 56 & $^3B_2$   & 3 & V & ppi & 97.3 &  & 4.79 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.08 & 4.98 & 5.08 & 4.78 & 4.83 &  &  & 4.79 & 4.93 & 4.94 & 4.95 & 4.76 & 4.98 & 4.49 & 4.74 \\
+282 &  & 6 & 56 & $^3A_1$   & 3 & V & ppi & 97.1 &  & 5.04 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.33 & 5.29 & 5.37 & 5.03 & 5.11 &  &  & 5.05 & 5.17 & 5.18 & 5.22 & 5.01 & 5.28 & 4.75 & 5.02 \\
+283 &  & 6 & 56 & $^3A_2$   & 3 & V & npi & 95.8 &  & 5.36 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.36 & 5.24 & 5.71 & 5.39 & 5.58 &  &  & 5.35 & 5.65 & 5.65 & 5.51 & 5.42 & 5.23 & 5.62 & 5.43 \\
+284 &  & 6 & 56 & $^3B_2$   & 3 & V & ppi & 97.7 &  & 6.24 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.40 & 6.39 & 6.43 & 6.25 & 6.26 &  &  & 6.25 & 6.43 & 6.47 & 6.44 & 6.28 & 6.35 & 5.98 & 6.17 \\
+285 & Pyrimidine & 6 & 56 & $^1B_1$   & 1 & V & npi & 88.6 & 0.005 & 4.44 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.57 & 4.41 & 4.85 & 4.36 & 4.66 & 4.51 & 4.51 & 4.44 & 4.74 & 4.75 & 4.64 & 4.50 & 4.37 & 4.54 & 4.46 \\
+286 &  & 6 & 56 & $^1A_2$    & 1 & V & npi & 88.5 &  & 4.85 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.97 & 4.77 & 5.21 & 4.81 & 5.07 & 4.92 & 4.94 & 4.86 & 5.08 & 5.10 & 4.99 & 4.83 & 4.73 & 5.06 & 4.90 \\
+287 &  & 6 & 56 & $^1B_2$    & 1 & V & ppi & 86.3 & 0.028 & 5.38 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.58 & 5.54 & 5.81 & 5.15 & 5.53 & 5.47 & 5.44 & 5.41 & 5.29 & 5.20 & 5.38 & 5.05 & 5.52 & 5.33 & 5.43 \\
+288 &  & 6 & 56 & $^1A_2$    & 1 & V & npi & 86.7 &  & 5.92 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.06 & 5.96 & 6.35 & 5.91 & 6.20 & 6.03 & 6.02 & 5.93 & 6.29 & 6.30 & 6.19 & 6.05 & 5.93 & 6.08 & 6.01 \\
+289 &  & 6 & 56 & $^1B_1$   & 1 & V & npi & 86.7 & 0.005 & 6.26 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 7.22 & 6.25 & 6.65 & 6.26 & 6.54 & 6.34 & 6.36 & 6.26 & 6.56 & 6.58 & 6.47 & 6.32 & 6.22 & 6.52 & 6.37 \\
+290 &  & 6 & 56 & $^1B_2$   & 1 & R & n3s & 90.3 & 0.005 & 6.70 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.23 & 6.20 & 7.05 & 6.90 & 6.88 & 6.77 & 6.81 & 6.72 & 6.96 & 6.90 & 6.67 & 6.77 & 6.25 & 7.11 & 6.68 \\
+291 &  & 6 & 56 & $^1A_1$   & 1 & V & ppi & 91.5 & 0.036 & 6.88 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 7.07 & 6.84 & 7.13 &  & 6.97 & 6.91 & 6.89 & 6.87 & 6.81 & 6.87 & 6.89 & 6.63 & 6.83 & 6.52 & 6.68 \\
+292 &  & 6 & 56 & $^3B_1$   & 3 & V & npi & 96.8 &  & 4.09 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.31 & 4.07 & 4.44 & 4.02 & 4.25 &  &  & 4.10 & 4.45 & 4.45 & 4.32 & 4.23 & 4.05 & 4.12 & 4.09 \\
+293 &  & 6 & 56 & $^3A_1$   & 3 & V & ppi & 98.3 &  & 4.51 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & N &  & 4.91 & 4.77 & 4.79 & 4.11 & 4.39 &  &  & 4.55 & 4.76 & 4.75 & 4.75 & 4.64 & 4.76 & 4.23 & 4.50 \\
+294 &  & 6 & 56 & $^3A_2$   & 3 & V & npi & 96.5 &  & 4.66 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.01 & 4.60 & 4.98 & 4.63 & 4.83 &  &  & 4.66 & 4.97 & 4.98 & 4.86 & 4.75 & 4.58 & 4.73 & 4.66 \\
+295 &  & 6 & 56 & $^3B_2$   & 3 & V & ppi & 97.4 &  & 4.96 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.23 & 5.17 & 5.24 & 4.88 & 4.99 &  &  & 4.96 & 5.08 & 5.10 & 5.13 & 4.92 & 5.14 & 4.63 & 4.89 \\
+296 & Pyrrole & 5 & 56 & $^1A_2$   & 1 & R & p3s & 92.9 &  & 5.24 & CCSDT/AVTZ & Y &  & 5.34 & 5.23 & 5.54 & 5.36 & 5.34 & 5.28 & 5.26 & 5.24 & 5.49 & 5.43 & 5.36 & 5.37 & 5.30 & 5.14 & 5.22 \\
+297 &  & 5 & 56 & $^1B_1$    & 1 & R & p3p & 92.4 & 0.015 & 6.00 & CCSDT/AVTZ & Y &  & 6.04 & 5.91 & 6.23 & 6.08 & 6.04 & 6.01 & 6.00 & 5.98 & 6.10 & 6.06 & 6.01 & 5.98 & 5.94 & 5.89 & 5.92 \\
+298 &  & 5 & 56 & $^1A_2$    & 1 & R & p3p & 93.0 &  & 6.00 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.04 & 5.96 & 6.29 & 6.15 & 6.09 & 6.04 & 6.03 & 6.01 & 6.18 & 6.13 & 6.07 & 6.07 & 6.03 & 5.91 & 5.97 \\
+299 &  & 5 & 56 & $^1B_2$    & 1 & V & ppi & 92.5 & 0.164 & 6.26 & CCSDT/AVTZ & Y &  & 6.62 & 6.30 & 6.56 & 6.44 & 6.35 & 6.28 & 6.27 & 6.25 & 6.41 & 6.37 & 6.34 & 6.28 & 6.35 & 6.11 & 6.23 \\
+300 &  & 5 & 56 & $^1A_1$   & 1 & V & ppi & 86.3 & 0.001 & 6.30 & CCSDT/AVTZ & Y &  & 6.64 & 6.47 & 6.70 &  & 6.51 & 6.39 & 6.36 & 6.32 & 6.41 & 6.40 & 6.42 & 6.19 & 6.47 & 6.29 & 6.38 \\
+301 &  & 5 & 56 & $^1B_2$   & 1 & R & p3p & 92.6 & 0.003 & 6.83 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 7.00 & 6.89 & 7.10 &  & 6.93 & 6.85 & 6.85 & 6.83 & 6.93 & 6.91 & 6.90 & 6.79 & 6.91 & 6.69 & 6.80 \\
+302 &  & 5 & 56 & $^3B_2$   & 3 & V & ppi & 98.3 &  & 4.51 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.81 & 4.72 & 4.70 & 4.15 & 4.45 &  &  & 4.53 & 4.67 & 4.68 & 4.69 & 4.55 & 4.71 & 4.26 & 4.49 \\
+303 &  & 5 & 56 & $^3A_2$   & 3 & R & p3s & 97.6 &  & 5.21 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.33 & 5.20 & 5.51 & 5.41 & 5.30 &  &  & 5.21 & 5.47 & 5.41 & 5.34 & 5.36 & 5.27 & 5.11 & 5.19 \\
+304 &  & 5 & 56 & $^3A_1$   & 3 & V & ppi & 97.8 &  & 5.45 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.70 & 5.66 & 5.64 & 5.12 & 5.49 &  &  & 5.46 & 5.50 & 5.51 & 5.56 & 5.36 & 5.62 & 5.23 & 5.43 \\
+305 &  & 5 & 56 & $^3B_1$   & 3 & R & p3p & 97.4 &  & 5.91 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.01 & 5.86 & 6.16 & 6.06 & 5.97 &  &  & 5.92 & 6.07 & 6.02 & 5.97 & 5.94 & 5.89 & 5.84 & 5.87 \\
+306 & \ce{SiCl2} & 3 & 13 & $^1B_1$ & 1 & V & spi & 92.1 & 0.031 & 3.91 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 3.99 & 3.99 & 3.70 & 3.80 & 3.96 & 3.89 & 3.91 & 3.90 & 4.01 & 4.04 & 4.02 & 3.89 & 3.95 & 3.76 & 3.86 \\
+307 &  & 3 & 13 & $^3B_1$ & 3 & V & spi & 98.7 &  & 2.48 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 2.40 & 2.39 & 2.18 &  & 2.45 &  &  & 2.48 & 2.51 & 2.52 & 2.48 & 2.44 & 2.35 & 2.31 & 2.33 \\
+308 & Silylidene & 2 & 13 & $^1A_2$ & 1 & R & non-d & 92.3 &  & 2.11 & exFCI/AVTZ & Y &  & 2.39 & 2.37 & 2.09 & 2.21 & 2.29 & 2.16 & 2.17 & 2.15 & 2.35 & 2.35 & 2.35 & 2.24 & 2.37 & 1.87 & 2.12 \\
+309 &  & 2 & 13 & $^1B_2$    & 1 & R & non-d & 88.0 & 0.033 & 3.78 & exFCI/AVTZ & Y &  & 3.91 & 3.85 & 3.66 & 3.81 & 3.88 & 3.79 & 3.80 & 3.78 & 3.98 & 3.94 & 3.91 & 3.87 & 3.88 & 3.40 & 3.64 \\
+310 & Streptocyanine-C1 & 3 & 13 & $^1B_2$    & 1 & V & ppi & 88.7 & 0.347 & 7.13 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 6.99 & 7.20 & 7.12 & 6.76 & 7.24 & 7.12 & 7.16 & 7.13 & 7.03 & 7.20 & 7.20 & 6.81 & 7.00 & 7.16 & 7.08 \\
+311 &                                & 3 & 13 & $^3B_2$    & 3 & V & ppi & 98.3 &  & 5.52 & exFCI/AVTZ & Y &  & 5.61 & 5.60 & 5.48 & 5.40 & 5.45 &  &  & 5.48 & 5.70 & 5.73 & 5.69 & 5.54 & 5.55 & 5.33 & 5.44 \\
+312 & Tetrazine & 6 & 56 & $^1B_{3u}$    & 1 & V & npi & 89.8 & 0.006 & 2.47 & CCSDT/AVTZ & Y &  & 2.67 & 2.38 & 3.01 & 2.36 & 2.64 & 2.54 & 2.52 & 2.46 & 2.75 & 2.71 & 2.60 & 2.50 & 2.42 & 2.42 & 2.42 \\
+313 &  & 6 & 56 & $^1A_u$    & 1 & V & npi & 87.9 &  & 3.69 & CCSDT/AVTZ & Y &  & 3.93 & 3.53 & 4.22 & 3.73 & 3.96 & 3.77 & 3.78 & 3.67 & 4.06 & 4.01 & 3.84 & 3.80 & 3.58 & 3.87 & 3.73 \\
+314 &  & 6 & 56 & $^1A_g$    & 1 & V & dou & 0.7 &  & 4.61 & NEVPT2/AVTZ & N &  &  &  &  &  &  &  & 6.77 & 6.21 &  &  &  &  &  & 4.54 &  \\
+315 &  & 6 & 56 & $^1B_{1g}$    & 1 & V & npi & 83.1 &  & 4.93 & CCSDT/AVTZ & Y &  & 5.58 & 5.02 & 5.56 & 4.90 & 5.26 & 5.09 & 5.03 & 4.91 & 5.31 & 5.28 & 5.20 & 5.05 & 5.04 & 4.97 & 5.01 \\
+316 &  & 6 & 56 & $^1B_{2u}$    & 1 & V & ppi & 85.4 & 0.055 & 5.21 & CCSDT/AVTZ & Y &  & 5.40 & 5.31 & 5.83 & 4.92 & 5.37 & 5.31 & 5.26 & 5.23 & 5.06 & 5.05 & 5.14 & 4.78 & 5.31 & 5.08 & 5.20 \\
+317 &  & 6 & 56 & $^1B_{2g}$    & 1 & V & npi & 81.7 &  & 5.45 & CCSDT/AVTZ & Y &  & 6.09 & 5.64 & 6.18 & 5.49 & 5.84 & 5.64 & 5.57 & 5.46 & 5.97 & 5.94 & 5.84 & 5.72 & 5.68 & 5.13 & 5.41 \\
+318 &  & 6 & 56 & $^1A_u$    & 1 & V & npi & 87.7 &  & 5.53 & CCSDT/AVTZ & Y &  & 5.64 & 5.56 & 6.11 & 5.50 & 5.77 & 5.63 &  & 5.52 & 5.94 & 5.91 & 5.79 & 5.69 & 5.59 & 5.49 & 5.54 \\
+319 &  & 6 & 56 & $^1B_{3g}$    & 1 & V & dou & 0.7 &  & 6.15 & NEVPT2/AVTZ & N &  &  &  &  &  &  &  &  & 7.62 &  &  &  &  &  & 6.54 &  \\
+320 &  & 6 & 56 & $^1B_{2g}$   & 1 & V & npi & 80.2 &  & 6.12 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.08 & 6.18 & 6.87 &  & 6.66 & 6.34 & 6.32 & 6.13 & 6.69 & 6.66 & 6.50 & 6.42 & 6.21 & 6.50 & 6.36 \\
+321 &  & 6 & 56 & $^1B_{1g}$    & 1 & V & npi & 85.1 &  & 6.91 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.39 & 6.95 & 7.55 &  & 7.32 & 7.04 & 7.05 & 6.92 & 7.39 & 7.35 & 7.22 & 7.07 & 6.97 & 6.59 & 6.78 \\
+322 &  & 6 & 56 & $^3B_{3u}$    & 3 & V & npi & 97.1 &  & 1.85 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 2.13 & 1.81 & 2.31 & 1.70 & 1.96 &  &  & 1.85 & 2.21 & 2.17 & 2.05 & 1.98 & 1.85 & 1.74 & 1.80 \\
+323 &  & 6 & 56 & $^3A_u$    & 3 & V & npi & 96.3 &  & 3.45 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.00 & 3.31 & 3.92 & 3.47 & 3.66 &  &  & 3.44 & 3.85 & 3.81 & 3.64 & 3.62 & 3.35 & 3.54 & 3.45 \\
+324 &  & 6 & 56 & $^3B_{1g}$    & 3 & V & npi & 97.0 &  & 4.20 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.46 & 4.27 & 4.54 & 3.96 & 4.31 &  &  & 4.20 & 4.52 & 4.52 & 4.44 & 4.32 & 4.27 & 4.06 & 4.17 \\
+325 &  & 6 & 56 & $^1B_{1u}$    & 3 & V & ppi & 98.5 &  & 4.49 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & N &  & 4.96 & 4.81 & 4.85 & 3.90 & 4.27 &  &  & 4.54 & 4.65 & 4.65 & 4.71 & 4.52 & 4.80 & 4.14 & 4.47 \\
+326 &  & 6 & 56 & $^3B_{2u}$    & 3 & V & ppi & 97.5 &  & 4.52 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.87 & 4.77 & 4.96 & 4.43 & 4.53 &  &  & 4.52 & 4.65 & 4.65 & 4.69 & 4.46 & 4.76 & 4.06 & 4.41 \\
+327 &  & 6 & 56 & $^3B_{2g}$    & 3 & V & npi & 96.4 &  & 5.04 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.47 & 5.15 & 5.51 & 4.91 & 5.23 &  &  & 5.05 & 5.49 & 5.47 & 5.37 & 5.28 & 5.16 & 4.86 & 5.01 \\
+328 &  & 6 & 56 & $^3A_u$    & 3 & V & npi & 96.6 &  & 5.11 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.74 & 5.13 & 5.62 & 5.04 & 5.28 &  &  & 5.11 & 5.56 & 5.53 & 5.40 & 5.33 & 5.16 & 5.07 & 5.12 \\
+329 &  & 6 & 56 & $^3B_{3g}$    & 3 & V & dou & 5.7 &  & 5.51 & NEVPT2/AVTZ & N &  &  &  &  &  &  &  &  & 7.35 &  &  &  &  &  & 6.34 &  \\
+330 &  & 6 & 56 & $^3B_{1u}$    & 3 & V & ppi & 96.6 &  & 5.42 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.74 & 5.70 & 5.94 & 5.43 & 5.52 &  &  & 5.42 & 5.59 & 5.62 & 5.64 & 5.39 & 5.67 & 5.06 & 5.37 \\
+331 & Thioacetone & 4 & 4 & $^1A_2$   & 1 & V & npi & 88.9 &  & 2.53 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 2.55 & 2.63 & 2.41 & 2.47 & 2.63 & 2.55 & 2.57 & 2.55 & 2.56 & 2.70 & 2.68 & 2.38 & 2.47 & 2.50 & 2.49 \\
+332 &  & 4 & 4 & $^1B_2$   & 1 & R & n3s & 91.3 & 0.052 & 5.56 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 5.59 & 5.50 & 5.53 & 5.72 & 5.67 & 5.57 & 5.61 & 5.55 & 5.80 & 5.85 & 5.74 & 5.69 & 5.47 & 5.65 & 5.56 \\
+333 &  & 4 & 4 & $^1A_1$    & 1 & V & ppi & 90.6 & 0.242 & 5.88 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.01 & 6.09 & 5.78 &  & 6.01 & 5.90 & 5.93 & 5.90 & 5.87 & 6.12 & 6.11 & 5.72 & 5.87 & 5.53 & 5.70 \\
+334 &  & 4 & 4 & $^1B_2$    & 1 & R & n3p & 92.4 & 0.028 & 6.51 & CCSDTQ/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & Y &  & 6.54 & 6.44 & 6.48 & 6.62 & 6.59 & 6.52 & 6.54 & 6.51 & 6.66 & 6.69 & 6.61 & 6.56 & 6.43 & 6.53 & 6.48 \\
+335 &  & 4 & 4 & $^1A_1$    & 1 & R & n3p & 91.6 & 0.023 & 6.61 & CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)] & Y &  & 6.52 & 6.53 & 6.58 & 6.76 & 6.71 & 6.62 & 6.66 & 6.61 & 6.79 & 6.84 & 6.74 & 6.68 & 6.48 & 6.64 & 6.56 \\
+336 &  & 4 & 4 & $^3A_2$   & 3 & V & npi & 97.4 &  & 2.33 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 2.30 & 2.33 & 2.16 & 2.25 & 2.35 &  &  & 2.34 & 2.37 & 2.49 & 2.44 & 2.22 & 2.20 & 2.26 & 2.23 \\
+337 &  & 4 & 4 & $^3A_1$   & 3 & V & ppi & 98.7 &  & 3.45 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 3.60 & 3.59 & 3.38 & 3.22 & 3.66 &  &  & 3.46 & 3.50 & 3.55 & 3.57 & 3.39 & 3.52 & 3.17 & 3.35 \\
+338 & Thioformaldehyde  & 2 & 13 & $^1A_2$    & 1 & V & npi & 89.3 &  & 2.22 & exFCI/AVTZ & Y &  & 2.30 & 2.34 & 2.00 & 2.17 & 2.29 & 2.22 & 2.24 & 2.23 & 2.32 & 2.42 & 2.39 & 2.16 & 2.24 & 2.05 & 2.15 \\
+339 &                                & 2 & 13 & $^1B_2$    & 1 & R & n3s & 92.3 & 0.012 & 5.96 & exFCI/AVTZ & Y &  & 5.87 & 5.82 & 5.80 & 5.92 & 5.97 & 5.90 & 5.94 & 5.91 & 6.06 & 6.09 & 6.00 & 5.95 & 5.80 & 5.94 & 5.87 \\
+340 &                                & 2 & 13 & $^1A_1$    & 1 & V & ppi & 90.8 & 0.178 & 6.38 & CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 6.65 & 6.71 & 6.35 & 6.48 & 6.63 & 6.50 & 6.51 & 6.48 & 6.53 & 6.69 & 6.69 & 6.40 & 6.57 & 5.98 & 6.28 \\
+341 &                                & 2 & 13 & $^3A_2$    & 3 & V & npi & 97.7 &  & 1.94 & exFCI/AVTZ & Y &  & 1.94 & 1.94 & 1.67 & 1.91 & 1.95 &  &  & 1.94 & 2.04 & 2.12 & 2.06 & 1.91 & 1.86 & 1.77 & 1.82 \\
+342 &                                & 2 & 13 & $^3A_1$    & 3 & V & ppi & 98.9 &  & 3.43 & exFCI/AVTZ & Y &  & 3.49 & 3.48 & 3.25 & 3.18 & 3.28 &  &  & 3.38 & 3.40 & 3.43 & 3.45 & 3.32 & 3.45 & 3.07 & 3.26 \\
+343 &                                & 2 & 13 & $^3B_2$    & 3 & R & n3s & 97.6 &  & 5.72 & exFCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ] & Y &  & 5.78 & 5.64 & 5.59 & 5.71 & 5.76 &  &  & 5.72 & 5.89 & 5.92 & 5.83 & 5.80 & 5.62 & 5.71 & 5.67 \\
+344 &                                & 2 & 13 & $^1A_2$ [F]    & 1 & V & npi & 87.2 &  & 1.95 & exFCI/AVTZ & Y &  & 2.00 & 2.09 & 1.73 & 1.92 & 2.05 & 1.97 & 1.98 & 1.97 & 2.01 & 2.17 & 2.14 & 1.85 & 1.92 & 1.80 & 1.86 \\
+345 & Thiophene & 5 & 56 & $^1A_1$   & 1 & V & ppi & 87.6 & 0.070 & 5.64 & CCSDT/AVTZ & Y &  & 5.77 & 5.75 & 5.90 &  & 5.78 & 5.69 & 5.69 & 5.65 & 5.72 & 5.73 & 5.73 & 5.52 & 5.72 & 5.61 & 5.67 \\
+346 &  & 5 & 56 & $^1B_2$   & 1 & V & ppi & 91.5 & 0.079 & 5.98 & CCSDT/AVTZ & Y &  & 6.24 & 6.07 & 6.27 &  & 6.12 & 6.00 & 5.99 & 5.96 & 6.10 & 6.10 & 6.09 & 5.93 & 6.07 & 5.79 & 5.93 \\
+347 &  & 5 & 56 & $^1A_2$   & 1 & R & p3s & 92.6 &  & 6.14 & CCSDT/AVTZ & Y &  & 6.18 & 6.07 & 6.45 & 6.18 & 6.22 & 6.17 & 6.15 & 6.14 & 6.32 & 6.26 & 6.19 & 6.21 & 6.15 & 6.03 & 6.09 \\
+348 &  & 5 & 56 & $^1B_1$   & 1 & R & p3p & 90.1 & 0.010 & 6.14 & CCSDT/AVTZ & Y &  & 6.44 & 6.15 & 6.54 & 6.23 & 6.31 & 6.20 & 6.18 & 6.14 & 6.52 & 6.45 & 6.35 & 6.38 & 6.24 & 6.02 & 6.13 \\
+349 &  & 5 & 56 & $^1A_2$   & 1 & R & p3p & 91.8 &  & 6.21 & CCSDT/AVTZ & Y &  & 6.42 & 6.35 & 6.37 & 6.16 & 6.32 & 6.28 & 6.28 & 6.25 & 6.40 & 6.39 & 6.38 & 6.27 & 6.35 & 6.14 & 6.25 \\
+350 &  & 5 & 56 & $^1B_1$    & 1 & R & p3s & 92.8 & 0.000 & 6.49 & CCSDT/AVTZ & Y &  & 6.49 & 6.48 & 6.68 & 6.52 & 6.56 & 6.52 & 6.52 & 6.50 & 6.66 & 6.62 & 6.57 & 6.54 & 6.51 & 6.43 & 6.47 \\
+351 &  & 5 & 56 & $^1B_2$    & 1 & R & p3p & 92.4 & 0.082 & 7.29 & CCSDT/AVTZ & Y &  & 7.37 & 7.26 & 7.62 & 7.35 & 7.38 & 7.33 & 7.31 & 7.29 & 7.47 & 7.40 & 7.35 & 7.36 & 7.34 & 7.18 & 7.26 \\
+352 &  & 5 & 56 & $^1A_1$   & 1 & V & ppi & 86.5 & 0.314 & 7.31 & CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & N &  & 7.68 &  & 7.48 &  & 7.57 & 6.93 & 6.91 & 6.87 & 7.63 & 7.60 & 7.56 & 7.48 & 7.51 & 7.17 & 7.34 \\
+353 &  & 5 & 56 & $^3B_2$   & 3 & V & ppi & 98.2 &  & 3.92 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.22 & 4.12 & 4.11 & 3.70 & 3.85 &  &  & 3.94 & 4.06 & 4.06 & 4.08 & 3.94 & 4.11 & 3.65 & 3.88 \\
+354 &  & 5 & 56 & $^3A_1$   & 3 & V & ppi & 97.7 &  & 4.76 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.02 & 4.91 & 4.88 & 4.71 & 4.77 &  &  & 4.77 & 4.85 & 4.87 & 4.89 & 4.70 & 4.86 & 4.56 & 4.71 \\
+355 &  & 5 & 56 & $^3B_1$   & 3 & R & p3p & 96.6 &  & 5.93 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.28 & 6.00 & 6.36 & 6.16 & 6.12 &  &  & 5.95 & 6.41 & 6.33 & 6.22 & 6.27 & 6.09 & 5.83 & 5.96 \\
+356 &  & 5 & 56 & $^3A_2$   & 3 & R & p3s & 97.5 &  & 6.08 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.17 & 6.03 & 6.10 & 6.24 & 6.16 &  &  & 6.09 & 6.30 & 6.23 & 6.16 & 6.18 & 6.11 & 5.97 & 6.04 \\
+357 & Thiopropynal & 4 & 4 & $^1A^{\prime\prime}$    & 1 & V & npi & 87.5 & 0.000 & 2.03 & CCSDT/AVTZ & Y &  & 2.14 & 2.20 & 1.95 & 2.06 & 2.15 & 2.07 & 2.08 & 2.05 & 2.18 & 2.29 & 2.26 & 2.02 & 2.08 & 1.86 & 1.97 \\
+358 &  & 4 & 4 & $^3A^{\prime\prime}$     & 3 & V & npi & 97.2 &  & 1.80 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 1.83 & 1.84 & 1.65 & 1.79 & 1.83 &  &  & 1.81 & 1.94 & 2.03 & 1.97 & 1.79 & 1.74 & 1.63 & 1.69 \\
+359 & Triazine & 6 & 56 & $^1A_1^{\prime\prime}$   & 1 & V & npi & 88.3 &  & 4.72 & CCSDT/AVTZ & Y &  & 4.59 & 4.64 & 5.04 & 4.62 & 4.92 & 4.77 & 4.80 & 4.73 & 4.86 & 4.91 & 4.82 & 4.60 & 4.58 & 4.83 & 4.71 \\
+360 &  & 6 & 56 & $^1A_2^{\prime\prime}$   & 1 & V & npi & 88.3 & 0.014 & 4.75 & CCSDT/AVTZ & Y &  & 4.86 & 4.75 & 5.17 & 4.76 & 4.99 & 4.82 & 4.82 & 4.74 & 5.03 & 5.14 & 5.01 & 4.89 & 4.69 & 4.99 & 4.84 \\
+361 &  & 6 & 56 & $^1E^{\prime\prime}$   & 1 & V & npi & 88.3 &  & 4.78 & CCSDT/AVTZ & Y &  & 4.84 & 4.72 & 5.15 & 4.74 & 4.99 & 4.84 & 4.86 & 4.78 & 5.12 & 5.07 & 4.96 & 4.79 & 4.66 & 4.95 & 4.81 \\
+362 &  & 6 & 56 & $^1A_2^\prime$   & 1 & V & ppi & 85.7 &  & 5.75 & CCSDT/AVTZ & Y &  & 5.83 & 5.89 & 6.20 & 5.45 & 5.91 & 5.85 & 5.82 & 5.78 & 5.62 & 5.64 & 5.72 & 5.36 & 5.83 & 5.78 & 5.81 \\
+363 &  & 6 & 56 & $^1A_1^\prime$   & 1 & V & ppi & 90.4 &  & 7.24 & CCSDT/AVTZ & Y &  & 7.39 & 7.32 & 7.50 &  & 7.34 & 7.28 & 7.27 & 7.24 & 7.21 & 7.31 & 7.32 & 7.01 & 7.18 & 6.78 & 6.98 \\
+364 &  & 6 & 56 & $^1E^\prime$   & 1 & R & n3s & 90.9 & 0.016 & 7.32 & CCSDT/AVTZ & Y &  & 7.83 & 6.87 & 7.59 &  & 7.45 & 7.37 & 7.41 & 7.35 & 7.51 & 7.48 & 7.28 & 7.33 & 6.89 & 7.68 & 7.29 \\
+365 &  & 6 & 56 & $^1E^{\prime\prime}$   & 1 & V & npi & 82.6 &  & 7.78 & CCSDT/AVTZ & Y &  &  & 7.71 &  &  & 8.13 & 7.96 &  & 7.79 & 8.17 & 8.20 & 8.08 & 7.93 &  &  &  \\
+366 &  & 6 & 56 & $^1E^\prime$   & 1 & V & ppi & 90.0 & 0.451 & 7.94 & CCSDT/AVTZ & Y &  & 7.84 & 7.63 &  &  & 8.14 & 7.95 &  & 7.92 & 7.98 & 8.07 & 7.99 & 7.77 & 7.65 & 7.88 & 7.77 \\
+367 &  & 6 & 56 & $^3A_2^{\prime\prime}$   & 3 & V & npi & 96.7 &  & 4.33 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.52 & 4.32 & 4.70 & 4.32 & 4.51 &  &  & 4.33 & 4.76 & 4.76 & 4.61 & 4.55 & 4.29 & 4.35 & 4.32 \\
+368 &  & 6 & 56 & $^3E^{\prime\prime}$   & 3 & V & npi & 96.6 &  & 4.51 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.71 & 4.46 & 4.84 & 4.47 & 4.67 &  &  & 4.51 & 4.83 & 4.85 & 4.72 & 4.60 & 4.42 & 4.59 & 4.51 \\
+369 &  & 6 & 56 & $^3A_1^{\prime\prime}$   & 3 & V & npi & 96.2 &  & 4.73 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 4.65 & 4.65 & 5.04 & 4.43 & 4.91 &  &  & 4.75 & 4.93 & 4.98 & 4.87 & 4.69 & 4.59 & 4.53 & 4.56 \\
+370 &  & 6 & 56 & $^3A_1^\prime$   & 3 & V & ppi & 98.2 &  & 4.85 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 5.27 & 5.12 & 5.19 & 4.69 & 4.74 &  &  & 4.88 & 5.17 & 5.14 & 5.13 & 5.04 & 5.10 & 4.97 & 5.04 \\
+371 &  & 6 & 56 & $^3E^\prime$   & 3 & V & ppi & 96.9 &  & 5.59 & CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)] & Y &  & 5.91 & 5.88 & 5.98 & 5.61 & 5.70 &  &  & 5.61 & 5.80 & 5.82 & 5.84 & 5.61 & 5.82 & 5.32 & 5.57 \\
+372 &  & 6 & 56 & $^3A_2^\prime$   & 3 & V & ppi & 97.6 &  & 6.62 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 6.71 & 6.76 & 6.75 & 6.60 & 6.59 &  &  & 6.63 & 6.80 & 6.90 & 6.86 & 6.62 & 6.63 & 6.27 & 6.45 \\
+373 & Water  & 1 & 13 & $^1B_1$    & 1 & R & n3s & 93.4 & 0.054 & 7.62 & exFCI/AVTZ & Y &  & 7.17 & 7.23 & 7.58 & 7.56 & 7.60 & 7.60 & 7.61 & 7.65 & 7.40 & 7.45 & 7.38 & 7.23 & 7.18 & 7.84 & 7.51 \\
+374 &                                & 1 & 13 & $^1A_2$    & 1 & R & n3p & 93.6 &  & 9.41 & exFCI/AVTZ & Y &  & 8.92 & 8.89 & 9.35 & 9.37 & 9.36 & 9.38 & 9.38 & 9.43 & 9.12 & 9.17 & 9.08 & 8.95 & 8.84 & 9.63 & 9.24 \\
+375 &                                & 1 & 13 & $^1A_1$    & 1 & R & n3s & 93.6 & 0.100 & 9.99 & exFCI/AVTZ & Y &  & 9.52 & 9.58 & 9.91 & 9.92 & 9.96 & 9.96 & 9.97 & 10.00 & 9.76 & 9.82 & 9.74 & 9.59 & 9.52 & 10.22 & 9.87 \\
+376 &                                & 1 & 13 & $^3B_1$    & 3 & R & n3s & 98.1 &  & 7.25 & exFCI/AVTZ & Y &  & 6.92 & 6.91 & 7.18 & 7.24 & 7.20 &  &  & 7.28 & 7.10 & 7.15 & 7.07 & 6.95 & 6.86 & 7.41 & 7.14 \\
+377 &                                & 1 & 13 & $^3A_2$    & 3 & R & n3p & 98.0 &  & 9.24 & exFCI/AVTZ & Y &  & 8.91 & 8.77 & 9.19 & 9.21 & 9.20 &  &  & 9.26 & 9.09 & 9.07 & 8.97 & 8.85 & 8.72 & 9.43 & 9.08 \\
+378 &  & 1 & 13 & $^3A_1$    & 3 & R & n3s & 98.2 &  & 9.54 & exFCI/AVTZ & Y &  & 9.30 & 9.20 & 9.45 & 9.51 & 9.49 &  &  & 9.56 & 9.43 & 9.48 & 9.39 & 9.28 & 9.15 & 9.70 & 9.43 \\
+\end{tabular}
\ No newline at end of file
diff --git a/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6b63dbf0
--- /dev/null
+++ b/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Acetaldehyde
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.32          _              _            false
diff --git a/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5b476de4
--- /dev/null
+++ b/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.31          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.92          _              _            false
diff --git a/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c4dcaeaf
--- /dev/null
+++ b/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetaldehyde
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.50          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.13          _              _            false
diff --git a/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4e5cd0d4
--- /dev/null
+++ b/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.18          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.89          _              _            false
diff --git a/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..04a99add
--- /dev/null
+++ b/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.39          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.07          _              _            false
diff --git a/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2564f59f
--- /dev/null
+++ b/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.54          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.20          _              _            false
diff --git a/static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c866b716
--- /dev/null
+++ b/static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Acetone
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.50          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.91          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.90          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.92          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         8.01          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.12          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.01          _              _            false
diff --git a/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..761256a7
--- /dev/null
+++ b/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Acetone
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.49          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.50          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.51          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.55          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.65          _              _            false
diff --git a/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..965db0fb
--- /dev/null
+++ b/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Acetone
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.52          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.60          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.60          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.65          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.74          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.15          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.33          _              _            false
diff --git a/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ae9cb0d4
--- /dev/null
+++ b/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Acetone
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.64          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.37          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.29          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.33          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.43          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.31          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.46          _              _            false
diff --git a/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3da83a14
--- /dev/null
+++ b/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Acetone
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.31          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.34          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.27          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.32          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.41          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.04          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.22          _              _            false
diff --git a/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b7479289
--- /dev/null
+++ b/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Acetone
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.52          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.64          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.47          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.52          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.61          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.23          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.34          _              _            false
diff --git a/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ca650785
--- /dev/null
+++ b/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Acetone
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.68          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.59          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.51          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.56          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.64          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.38          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.43          _              _            false
diff --git a/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5ecdea7d
--- /dev/null
+++ b/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.09          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.42          _              _            false
diff --git a/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2d9cb586
--- /dev/null
+++ b/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.10          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.44          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  5.63          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.44          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.11          _              _            false
diff --git a/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..88f241a2
--- /dev/null
+++ b/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.30          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.58          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  5.56          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.68          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.34          _              _            false
diff --git a/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0724fd64
--- /dev/null
+++ b/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.20          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.45          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  5.39          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.61          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.24          _              _            false
diff --git a/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4f70e87d
--- /dev/null
+++ b/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.30          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.55          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  5.45          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.70          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.34          _              _            false
diff --git a/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6474a11e
--- /dev/null
+++ b/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.33          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.58          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  5.45          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.72          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.37          _              _            false
diff --git a/static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d9dbdb40
--- /dev/null
+++ b/static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.76          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.51          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.82          _              _            true
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};n \rightarrow 3s)           7.57          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.45          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  3.66          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.86          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.67          _              _            true
diff --git a/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6674812f
--- /dev/null
+++ b/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.78          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.71          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.89          _              _            true
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};n \rightarrow 3s)           7.15          _              _            false
diff --git a/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..017fb3c3
--- /dev/null
+++ b/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.88          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.85          _              _            false
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};n \rightarrow 3s)           7.23          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.53          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  3.99          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.24          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    7.01          _              _            true
diff --git a/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..35d04d1b
--- /dev/null
+++ b/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.03          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.98          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    7.14          _              _            true
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};n \rightarrow 3s)           6.77          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.70          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.09          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.36          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    7.02          _              _            true
diff --git a/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7886e34a
--- /dev/null
+++ b/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.73          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.64          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    7.04          _              _            true
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};n \rightarrow 3s)           6.88          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.48          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  3.99          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.13          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.94          _              _            true
diff --git a/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..92d113be
--- /dev/null
+++ b/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.95          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.82          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    7.27          _              _            true
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};n \rightarrow 3s)           7.08          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.67          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.10          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.25          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    7.16          _              _            true
diff --git a/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f4034948
--- /dev/null
+++ b/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Acrolein
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.11          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.88          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    7.37          _              _            true
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};n \rightarrow 3s)           7.14          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.81          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.11          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.33          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    7.25          _              _            true
diff --git a/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5c1396fe
--- /dev/null
+++ b/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Ammonia
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.58          _              _            false
+  1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         8.15          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         9.32          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3s)           9.95          _              _            false
diff --git a/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..fbe3c808
--- /dev/null
+++ b/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Ammonia
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.57          _              _            false
+  1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         8.14          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         9.31          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3s)           9.93          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};n \rightarrow 3s)           6.27          _              _            false
diff --git a/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3401a89f
--- /dev/null
+++ b/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Ammonia
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.49          _              _            false
+  1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         7.98          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         9.14          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3s)           9.77          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};n \rightarrow 3s)           6.27          _              _            false
diff --git a/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..71456332
--- /dev/null
+++ b/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Ammonia
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.42          _              _            false
+  1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         7.93          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         9.05          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3s)           9.71          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};n \rightarrow 3s)           6.23          _              _            false
diff --git a/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3115d9bb
--- /dev/null
+++ b/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Ammonia
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.56          _              _            false
+  1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         8.07          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         9.19          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3s)           9.85          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};n \rightarrow 3s)           6.36          _              _            false
diff --git a/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1e5a7d8b
--- /dev/null
+++ b/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Ammonia
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.54          _              _            false
+  1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         8.05          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         9.18          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3s)           9.83          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};n \rightarrow 3s)           6.34          _              _            false
diff --git a/static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..35f79b82
--- /dev/null
+++ b/static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.01          _              _            false
+  1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.24          _              _            false
+  1       1     A_{1g}     1       1     E_{1g}       (\mathrm{R};\pi \rightarrow 3p)         6.38          _              _            false
+  1       1     A_{1g}     1       1     A_{2u}       (\mathrm{R};\pi \rightarrow 3p)         6.92          _              _            false
+  1       1     A_{1g}     1       1     E_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.00          _              _            false
+  1       1     A_{1g}     1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  3.94          _              _            false
+  1       1     A_{1g}     1       3     E_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.60          _              _            false
+  1       1     A_{1g}     1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.51          _              _            false
diff --git a/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3b6a92af
--- /dev/null
+++ b/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.11          _              _            false
+  1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.45          _              _            false
+  1       1     A_{1g}     1       1     E_{1g}       (\mathrm{R};\pi \rightarrow 3p)         6.54          _              _            false
+  1       1     A_{1g}     1       1     A_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.09          _              _            false
+  1       1     A_{1g}     1       1     E_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.16          _              _            false
diff --git a/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..45521d68
--- /dev/null
+++ b/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.43          _              _            false
+  1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.64          _              _            false
+  1       1     A_{1g}     1       1     E_{1g}       (\mathrm{R};\pi \rightarrow 3p)         6.79          _              _            false
+  1       1     A_{1g}     1       1     A_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.33          _              _            false
+  1       1     A_{1g}     1       1     E_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.42          _              _            false
+  1       1     A_{1g}     1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.35          _              _            false
+  1       1     A_{1g}     1       3     E_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.14          _              _            false
+  1       1     A_{1g}     1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.92          _              _            false
diff --git a/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..25385ce9
--- /dev/null
+++ b/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.10          _              _            false
+  1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.39          _              _            false
+  1       1     A_{1g}     1       1     E_{1g}       (\mathrm{R};\pi \rightarrow 3p)         6.54          _              _            false
+  1       1     A_{1g}     1       1     A_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.07          _              _            false
+  1       1     A_{1g}     1       1     E_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.14          _              _            false
+  1       1     A_{1g}     1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.34          _              _            false
+  1       1     A_{1g}     1       3     E_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.03          _              _            false
+  1       1     A_{1g}     1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.94          _              _            false
diff --git a/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..798addf5
--- /dev/null
+++ b/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.81          _              _            false
+  1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.16          _              _            false
+  1       1     A_{1g}     1       1     E_{1g}       (\mathrm{R};\pi \rightarrow 3p)         6.51          _              _            false
+  1       1     A_{1g}     1       1     A_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.05          _              _            false
+  1       1     A_{1g}     1       1     E_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.12          _              _            false
+  1       1     A_{1g}     1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.21          _              _            false
+  1       1     A_{1g}     1       3     E_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.83          _              _            false
+  1       1     A_{1g}     1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.81          _              _            false
diff --git a/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..03a04e19
--- /dev/null
+++ b/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.03          _              _            false
+  1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.31          _              _            false
+  1       1     A_{1g}     1       1     E_{1g}       (\mathrm{R};\pi \rightarrow 3p)         6.63          _              _            false
+  1       1     A_{1g}     1       1     A_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.15          _              _            false
+  1       1     A_{1g}     1       1     E_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.23          _              _            false
+  1       1     A_{1g}     1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.32          _              _            false
+  1       1     A_{1g}     1       3     E_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.99          _              _            false
+  1       1     A_{1g}     1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.96          _              _            false
diff --git a/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b0c19f26
--- /dev/null
+++ b/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Benzene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.02          _              _            false
+  1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.35          _              _            false
+  1       1     A_{1g}     1       1     E_{1g}       (\mathrm{R};\pi \rightarrow 3p)         6.57          _              _            false
+  1       1     A_{1g}     1       1     A_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.10          _              _            false
+  1       1     A_{1g}     1       1     E_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.18          _              _            false
+  1       1     A_{1g}     1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.32          _              _            false
+  1       1     A_{1g}     1       3     E_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.00          _              _            false
+  1       1     A_{1g}     1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.98          _              _            false
diff --git a/static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3b04611f
--- /dev/null
+++ b/static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,19 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.02          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.12          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.86          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.44          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.59          _              _            false
+  1       1     A_g        2       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.46          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.09          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  4.94          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.06          _              _            false
diff --git a/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..250d6aad
--- /dev/null
+++ b/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.24          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.34          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  6.76          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.66          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.81          _              _            false
diff --git a/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..29e8db1f
--- /dev/null
+++ b/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,19 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.24          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.44          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  7.14          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.75          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.92          _              _            false
+  1       1     A_g        2       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.79          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.37          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.16          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.38          _              _            false
diff --git a/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e56d0699
--- /dev/null
+++ b/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,19 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.28          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.41          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  7.26          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.74          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.88          _              _            false
+  1       1     A_g        2       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.74          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.51          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.25          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.38          _              _            false
diff --git a/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..676fee7b
--- /dev/null
+++ b/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,19 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.16          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.44          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  7.23          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.78          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.92          _              _            false
+  1       1     A_g        2       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.74          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.43          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.13          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.42          _              _            false
diff --git a/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0a099f2c
--- /dev/null
+++ b/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,19 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.30          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.54          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  7.37          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.88          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         7.02          _              _            false
+  1       1     A_g        2       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.84          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.54          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.51          _              _            false
diff --git a/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..81de37b0
--- /dev/null
+++ b/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,19 @@
+# Molecule : Butadiene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.34          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.49          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  7.34          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.83          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.97          _              _            false
+  1       1     A_g        2       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.84          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.53          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.47          _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..00659f55
--- /dev/null
+++ b/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Carbon monoxide
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.51          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.98          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.11         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.02         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.55         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.76         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..11d12e90
--- /dev/null
+++ b/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Carbon monoxide
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.63          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.94          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.08         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.29         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.80         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         12.01         _              _            false
+  1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.34          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.47          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.26          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.80          _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.78         _              _            false
diff --git a/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3c6269c1
--- /dev/null
+++ b/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Carbon monoxide
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.67          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.26         _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.47         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.25         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.75         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.96         _              _            false
+  1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.53          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.59          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.59          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.22         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.77         _              _            false
diff --git a/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..947046d2
--- /dev/null
+++ b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Carbon monoxide
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.59          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.84          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.97          _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.39         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.93         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         12.13         _              _            false
+  1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.54          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.30          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.26          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.81          _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.99         _              _            false
diff --git a/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..09d74250
--- /dev/null
+++ b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Carbon monoxide
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.75          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.01         _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.14         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.52         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         12.04         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         12.25         _              _            false
+  1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.63          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.41          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.40          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.98          _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.08         _              _            false
diff --git a/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e1d7730a
--- /dev/null
+++ b/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Carbon monoxide
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.68          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.24         _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.40         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.32         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.81         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         12.03         _              _            false
+  1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.58          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.52          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.60          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.20         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.86         _              _            false
diff --git a/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b7902125
--- /dev/null
+++ b/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Carbonylfluoride
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.32          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..600543e1
--- /dev/null
+++ b/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Carbonylfluoride
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.39          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.08          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2b7f40dc
--- /dev/null
+++ b/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Carbonylfluoride
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.47          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.21          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..728ad375
--- /dev/null
+++ b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Carbonylfluoride
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.04          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.81          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a25a5f22
--- /dev/null
+++ b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Carbonylfluoride
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.27          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.05          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7ef56630
--- /dev/null
+++ b/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Carbonylfluoride
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.48          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.24          _              _            false
diff --git a/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..da64e9cc
--- /dev/null
+++ b/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{CCl2}
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.41          _              _            false
diff --git a/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ec6cd158
--- /dev/null
+++ b/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : \ce{CCl2}
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.36          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.27          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         0.84          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.17          _              _            false
diff --git a/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..039d04ac
--- /dev/null
+++ b/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : \ce{CCl2}
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.64          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.50          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.23          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.46          _              _            false
diff --git a/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2537b13b
--- /dev/null
+++ b/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : \ce{CCl2}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.06          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
diff --git a/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a3c68c7d
--- /dev/null
+++ b/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : \ce{CCl2}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.58          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.50          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.16          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.48          _              _            false
diff --git a/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..222038b9
--- /dev/null
+++ b/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : \ce{CCl2}
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.67          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.61          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.27          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.59          _              _            false
diff --git a/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0c959a40
--- /dev/null
+++ b/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{CClF}
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.56          _              _            false
diff --git a/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..70b760e1
--- /dev/null
+++ b/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{CClF}
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.34          _              _            false
diff --git a/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..49d00f30
--- /dev/null
+++ b/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{CClF}
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.61          _              _            false
diff --git a/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ccf47bd3
--- /dev/null
+++ b/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{CClF}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.39          _              _            false
diff --git a/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5db46c81
--- /dev/null
+++ b/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{CClF}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.54          _              _            false
diff --git a/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b75a6be8
--- /dev/null
+++ b/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{CClF}
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.63          _              _            false
diff --git a/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..47950cad
--- /dev/null
+++ b/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{CF2}
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.08          _              _            false
diff --git a/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8f1a61b1
--- /dev/null
+++ b/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{CF2}
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.47          _              _            false
diff --git a/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3763235b
--- /dev/null
+++ b/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{CF2}
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.13          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.79          _              _            false
diff --git a/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..aeaf6e68
--- /dev/null
+++ b/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{CF2}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.64          _              _            false
diff --git a/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7a533da6
--- /dev/null
+++ b/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{CF2}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.05          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.74          _              _            false
diff --git a/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..103a06f8
--- /dev/null
+++ b/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{CF2}
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.15          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.84          _              _            false
diff --git a/static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..931cead9
--- /dev/null
+++ b/static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  4.11          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.80          _              _            false
diff --git a/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..32233d48
--- /dev/null
+++ b/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.81          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.09          _              _            false
diff --git a/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a391c023
--- /dev/null
+++ b/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  6.02          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.29          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  4.76          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.46          _              _            false
diff --git a/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e8a51bdd
--- /dev/null
+++ b/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  6.14          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.36          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  4.64          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
diff --git a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..03ff1548
--- /dev/null
+++ b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  6.01          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.18          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  4.44          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.54          _              _            false
diff --git a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7e5c9467
--- /dev/null
+++ b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  6.15          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.33          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  4.53          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.66          _              _            false
diff --git a/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3a25ae61
--- /dev/null
+++ b/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  6.20          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.38          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  4.55          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.71          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..10b9d25b
--- /dev/null
+++ b/static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoformaldehyde
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.77          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.07          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.38          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.63          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d3a55b46
--- /dev/null
+++ b/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Cyanoformaldehyde
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.86          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.47          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0ab21365
--- /dev/null
+++ b/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoformaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.97          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.85          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.53          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.27          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b13e1d08
--- /dev/null
+++ b/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoformaldehyde
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.10          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.90          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.69          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.29          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1596167d
--- /dev/null
+++ b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoformaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.82          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.77          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.47          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.07          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4704f244
--- /dev/null
+++ b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoformaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.03          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.95          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.66          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.19          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b92e7e57
--- /dev/null
+++ b/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyanoformaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.16          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.98          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.78          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.25          _              _            false
diff --git a/static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4e271a39
--- /dev/null
+++ b/static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.88          _              _            false
+  1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.16          _              _            false
+  1       1     \Sigma_g^+ 1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
diff --git a/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ce7212a6
--- /dev/null
+++ b/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.40          _              _            false
+  1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.68          _              _            false
diff --git a/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8580808c
--- /dev/null
+++ b/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.73          _              _            false
+  1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.00          _              _            false
+  1       1     \Sigma_g^+ 1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  5.32          _              _            false
diff --git a/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6617e477
--- /dev/null
+++ b/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.83          _              _            false
+  1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.06          _              _            false
+  1       1     \Sigma_g^+ 1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  5.11          _              _            false
diff --git a/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1fd8e4be
--- /dev/null
+++ b/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.67          _              _            false
+  1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.85          _              _            false
+  1       1     \Sigma_g^+ 1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.85          _              _            false
diff --git a/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..77205571
--- /dev/null
+++ b/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.82          _              _            false
+  1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.01          _              _            false
+  1       1     \Sigma_g^+ 1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.96          _              _            false
diff --git a/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..67719a2d
--- /dev/null
+++ b/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.88          _              _            false
+  1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.08          _              _            false
+  1       1     \Sigma_g^+ 1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.98          _              _            false
diff --git a/static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b3ae2157
--- /dev/null
+++ b/static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopentadiene
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.35          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.63          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.25          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.30          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.41          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.92          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.05          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.86          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.57          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.20          _              _            false
diff --git a/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d44031fc
--- /dev/null
+++ b/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Cyclopentadiene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.56          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.78          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.41          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.46          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.56          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.66          _              _            true
diff --git a/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..62ea51d5
--- /dev/null
+++ b/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopentadiene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.95          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.57          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.63          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.74          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.04          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.38          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.15          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.52          _              _            false
diff --git a/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b98c500a
--- /dev/null
+++ b/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopentadiene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.63          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.83          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.41          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.48          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.58          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.05          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.45          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.16          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.80          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.39          _              _            false
diff --git a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..25e53350
--- /dev/null
+++ b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopentadiene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.49          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.84          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.44          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.51          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.60          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.97          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.36          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.01          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.83          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.42          _              _            false
diff --git a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..28e2e662
--- /dev/null
+++ b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopentadiene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.95          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.54          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.62          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.70          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.16          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.47          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.11          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.93          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.52          _              _            false
diff --git a/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..48dea51f
--- /dev/null
+++ b/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopentadiene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.68          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.91          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.50          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.58          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.66          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.15          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.47          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.11          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.48          _              _            false
diff --git a/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6c60d57a
--- /dev/null
+++ b/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Cyclopropene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.70          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.76          _              _            false
diff --git a/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ccabbda6
--- /dev/null
+++ b/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyclopropene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.73          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.76          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.36          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         6.42          _              _            false
diff --git a/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..286034a5
--- /dev/null
+++ b/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyclopropene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.86          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.94          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.48          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         6.60          _              _            false
diff --git a/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8293f2eb
--- /dev/null
+++ b/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyclopropene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.79          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.86          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.40          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         6.56          _              _            false
diff --git a/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..36eb67f9
--- /dev/null
+++ b/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyclopropene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.94          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.98          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         6.71          _              _            false
diff --git a/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0fb9d7ca
--- /dev/null
+++ b/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Cyclopropene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.92          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.01          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         6.69          _              _            false
diff --git a/static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..65ab257a
--- /dev/null
+++ b/static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopropenethione
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.46          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.82          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.72          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.41          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.36          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.02          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.30          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.65          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.96          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.83          _              _            false
diff --git a/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2e9d7d56
--- /dev/null
+++ b/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Cyclopropenethione
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.46          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.56          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.73          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.38          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.52          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         5.97          _              _            false
diff --git a/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..fba8f829
--- /dev/null
+++ b/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopropenethione
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.37          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.63          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.83          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.30          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.41          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         5.92          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.23          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.50          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.14          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.97          _              _            false
diff --git a/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..66cc6606
--- /dev/null
+++ b/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopropenethione
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.57          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.88          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.11          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.43          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.58          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.04          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.45          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.77          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.37          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.18          _              _            false
diff --git a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a9d244f1
--- /dev/null
+++ b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopropenethione
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.28          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.73          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.84          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.36          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.17          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         5.99          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.23          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.64          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.21          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.97          _              _            false
diff --git a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..49847f0a
--- /dev/null
+++ b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopropenethione
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.46          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.93          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.04          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.47          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.35          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.10          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.39          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.83          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.36          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.10          _              _            false
diff --git a/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2f6d2938
--- /dev/null
+++ b/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Cyclopropenethione
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.59          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.07          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.20          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.52          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.56          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.16          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.50          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.97          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.44          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.18          _              _            false
diff --git a/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1e6eb1ac
--- /dev/null
+++ b/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Cyclopropenone
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.66          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.61          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.64          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.83          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.33          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.36          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  8.17          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.28          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.80          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.36          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.63          _              _            false
diff --git a/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3665c3eb
--- /dev/null
+++ b/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Cyclopropenone
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.31          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.59          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.38          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.61          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.06          _              _            false
diff --git a/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..9165b62e
--- /dev/null
+++ b/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Cyclopropenone
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.49          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.71          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.50          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.80          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.15          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.19          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  8.42          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.16          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.02          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.49          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.93          _              _            false
diff --git a/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5b7feb1f
--- /dev/null
+++ b/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Cyclopropenone
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.38          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.75          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.22          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.75          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.87          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.86          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  8.34          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.12          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.05          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.58          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.05          _              _            false
diff --git a/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e0939642
--- /dev/null
+++ b/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Cyclopropenone
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.21          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.42          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.17          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.47          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.80          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.83          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  8.01          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.99          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.88          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.32          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.74          _              _            false
diff --git a/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..71e8a7c6
--- /dev/null
+++ b/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Cyclopropenone
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.45          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.64          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.36          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.69          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.99          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.01          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  8.20          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.21          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.02          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.52          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.90          _              _            false
diff --git a/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5b361235
--- /dev/null
+++ b/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Cyclopropenone
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.56          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.79          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.40          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.86          _              _            false
+  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.04          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.06          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  8.37          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.31          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.07          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.65          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.08          _              _            false
diff --git a/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4e552bbb
--- /dev/null
+++ b/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Diacetylene
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.95          _              _            false
+  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
+  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  3.79          _              _            false
+  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.43          _              _            false
diff --git a/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f3afed0a
--- /dev/null
+++ b/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Diacetylene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.35          _              _            false
+  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.62          _              _            false
diff --git a/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..93ef20bb
--- /dev/null
+++ b/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Diacetylene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.50          _              _            false
+  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.75          _              _            false
+  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.34          _              _            false
+  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.99          _              _            false
diff --git a/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..058c7fd1
--- /dev/null
+++ b/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Diacetylene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
+  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
+  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.27          _              _            false
+  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.18          _              _            false
diff --git a/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..813c4735
--- /dev/null
+++ b/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Diacetylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.53          _              _            false
+  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.69          _              _            false
+  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.11          _              _            false
+  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.10          _              _            false
diff --git a/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..fb4dde67
--- /dev/null
+++ b/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Diacetylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.66          _              _            false
+  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
+  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.20          _              _            false
+  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
diff --git a/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..044d573b
--- /dev/null
+++ b/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Diacetylene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.70          _              _            false
+  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.87          _              _            false
+  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.21          _              _            false
+  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.25          _              _            false
diff --git a/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..42828616
--- /dev/null
+++ b/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.10          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.47          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.86          _              _            false
diff --git a/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e3ed7003
--- /dev/null
+++ b/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.37          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.80          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.15          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.03          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.23          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.64          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.14          _              _            false
diff --git a/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..41dba793
--- /dev/null
+++ b/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.38          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.65          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.02          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.14          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.19          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.54          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.04          _              _            false
diff --git a/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ab662cf9
--- /dev/null
+++ b/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.17          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.70          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.82          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  2.94          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.00          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.60          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.91          _              _            false
diff --git a/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b205be10
--- /dev/null
+++ b/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.36          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.81          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.99          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.11          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.14          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.71          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.02          _              _            false
diff --git a/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b2e1bc17
--- /dev/null
+++ b/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.38          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.71          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.03          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.17          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.15          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.61          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.01          _              _            false
diff --git a/static/data/abs/difluorodiazieine_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_ADC(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..9b03d67e
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_ADC(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : ADC(2),aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.19          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.42          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.01          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.97          _              _            false
diff --git a/static/data/abs/difluorodiazieine_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_ADC(2.5)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..38f68fd3
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_ADC(2.5)_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : ADC(2.5),aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.63          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.95          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.46          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    2.89          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.38          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
diff --git a/static/data/abs/difluorodiazieine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1f7e9e6e
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.52          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.70          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.50          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    2.77          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.04          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.47          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..63689ae1
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : CC2,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.19          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.29          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.77          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.99          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CC3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CC3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..16734cd8
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_CC3_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : CC3,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          93.1           0.002        false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.02          91.4           _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.50          93.3           0.026        false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          98.2           _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.45          98.9           _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.81          98.4           _            false
diff --git a/static/data/abs/difluorodiazieine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..606fe84d
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.75          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.02          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.55          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7ad218d0
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.94          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.24          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.17          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.97          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.71          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CCSDR(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7aa36415
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_CCSDR(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : CCSDR(3),aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.76          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.05          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.55          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CCSD_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CCSD_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0fb195d2
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_CCSD_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : CCSD,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.83          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.10          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.69          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.07          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.40          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.84          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CIS(D)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..63118ec6
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_CIS(D)_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : CIS(D),aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.89          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.46          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.53          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.17          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.89          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.13          _              _            false
diff --git a/static/data/abs/difluorodiazieine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c8d0fbd2
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.90          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.25          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.65          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.23          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.63          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.13          _              _            false
diff --git a/static/data/abs/difluorodiazieine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6602c556
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.77          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.10          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.77          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.14          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.41          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.05          _              _            false
diff --git a/static/data/abs/difluorodiazieine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b994a097
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.97          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.29          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.95          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.32          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.53          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.20          _              _            false
diff --git a/static/data/abs/difluorodiazieine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e51cba41
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.97          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.28          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.82          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.33          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.55          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.21          _              _            false
diff --git a/static/data/abs/difluorodiazieine_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_STEOM-CCSD_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c6249447
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : STEOM-CCSD,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.56          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    2.91          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.59          _              _            false
diff --git a/static/data/abs/difluorodiazieine_TBE_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_TBE_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..41c9716f
--- /dev/null
+++ b/static/data/abs/difluorodiazieine_TBE_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Difluorodiazieine
+# Comment  : 
+# code     : 
+# method   : TBE,aug-cc-pVTZ
+# geom     : 
+# set      : 
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.00          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.52          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.44          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.80          _              _            false
diff --git a/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3f9c7105
--- /dev/null
+++ b/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Dinitrogen
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.35          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.89          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.31         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.06         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.27         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.16         _              _            false
diff --git a/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..20b77c30
--- /dev/null
+++ b/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Dinitrogen
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.59          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.11         _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.56         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.38         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.64         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.49         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.83         _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.04          _              _            false
+  1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.23          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.13          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.99          _              _            false
diff --git a/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b36bd7c5
--- /dev/null
+++ b/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Dinitrogen
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.48          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.75         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.06         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.37         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.12         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.97         _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.73          _              _            false
+  1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.33          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.35          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.27         _              _            false
diff --git a/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e25fe3cd
--- /dev/null
+++ b/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Dinitrogen
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.36          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.12         _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.50         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.15         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.45         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.25         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.82         _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.41          _              _            false
+  1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.28          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.24          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.09         _              _            false
diff --git a/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ed556489
--- /dev/null
+++ b/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Dinitrogen
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.55          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.24         _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.63         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.33         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.64         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.41         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         14.03         _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.49          _              _            false
+  1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.43          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.33          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.21         _              _            false
diff --git a/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..33edb349
--- /dev/null
+++ b/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Dinitrogen
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.51          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.69         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.16         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.47         _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.23         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.98         _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.49          _              _            false
+  1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.40          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.37          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.26         _              _            false
diff --git a/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c3e2f223
--- /dev/null
+++ b/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.36          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.92          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         8.03          _              _            false
diff --git a/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f7e2701e
--- /dev/null
+++ b/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.88          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         8.04          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.44          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.26          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         7.95          _              _            false
diff --git a/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..dff47a3a
--- /dev/null
+++ b/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.98          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         8.05          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.58          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.31          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         8.02          _              _            false
diff --git a/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5371c3e8
--- /dev/null
+++ b/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.88          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         8.06          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.51          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.32          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         8.03          _              _            false
diff --git a/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8191e853
--- /dev/null
+++ b/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.48          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.98          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         8.14          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.59          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.41          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         8.12          _              _            false
diff --git a/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..34e4b5ab
--- /dev/null
+++ b/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Ethylene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.44          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  8.00          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         8.11          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.58          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.37          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         8.08          _              _            false
diff --git a/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e7af5c45
--- /dev/null
+++ b/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.98          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.21          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         8.11          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.21          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         8.66          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         9.20          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  9.51          _              _            false
diff --git a/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..17aa64a7
--- /dev/null
+++ b/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,23 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.93          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.19          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         8.11          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.19          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         8.63          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         9.22          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  9.54          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.49          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.09          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{R};n \rightarrow 3s)           7.03          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.92          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         8.40          _              _            false
diff --git a/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..bc8102ea
--- /dev/null
+++ b/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,23 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.17          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.93          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.88          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.88          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         8.37          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         9.41          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  9.76          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.75          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.22          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{R};n \rightarrow 3s)           6.83          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.77          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.81          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         8.69          _              _            false
diff --git a/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7ecbe4d5
--- /dev/null
+++ b/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,23 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.90          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.88          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.83          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.83          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         8.30          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         9.11          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  9.45          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.55          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.00          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{R};n \rightarrow 3s)           6.80          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.73          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.78          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         8.49          _              _            false
diff --git a/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8e1e5742
--- /dev/null
+++ b/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,23 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.09          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.06          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         8.01          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.01          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         8.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         9.31          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  9.62          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.72          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.10          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{R};n \rightarrow 3s)           6.97          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.90          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.96          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         8.66          _              _            false
diff --git a/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..25733929
--- /dev/null
+++ b/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,23 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.22          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.11          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         8.04          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.06          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         8.53          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         9.45          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  9.81          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.84          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.18          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{R};n \rightarrow 3s)           7.02          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.93          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.00          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         8.78          _              _            false
diff --git a/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c7734a63
--- /dev/null
+++ b/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Formamide
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.67          _              _            false
diff --git a/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d582c141
--- /dev/null
+++ b/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Formamide
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.66          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.35          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.91          _              _            false
diff --git a/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d9110316
--- /dev/null
+++ b/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Formamide
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.77          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.50          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.03          _              _            false
diff --git a/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c2627a7c
--- /dev/null
+++ b/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Formamide
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.39          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.19          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.82          _              _            false
diff --git a/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..41fb9652
--- /dev/null
+++ b/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Formamide
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.61          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.39          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.98          _              _            false
diff --git a/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..45b01b58
--- /dev/null
+++ b/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Formamide
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.81          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.57          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.05          _              _            false
diff --git a/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2ae5d70c
--- /dev/null
+++ b/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Formylfluoride
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.00          _              _            false
diff --git a/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..db93917b
--- /dev/null
+++ b/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Formylfluoride
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.00          _              _            false
+  1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.60          _              _            false
diff --git a/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..cbd02704
--- /dev/null
+++ b/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Formylfluoride
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.17          _              _            false
+  1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.80          _              _            false
diff --git a/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a9c2b04e
--- /dev/null
+++ b/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Formylfluoride
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.78          _              _            false
+  1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.48          _              _            false
diff --git a/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..25427f9d
--- /dev/null
+++ b/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Formylfluoride
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.99          _              _            false
+  1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.67          _              _            false
diff --git a/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..53e0e0f7
--- /dev/null
+++ b/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Formylfluoride
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.19          _              _            false
+  1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.85          _              _            false
diff --git a/static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8ab696c1
--- /dev/null
+++ b/static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Furan
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.95          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.15          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.49          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.67          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.09          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.91          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.23          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.45          _              _            false
diff --git a/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..579d39e3
--- /dev/null
+++ b/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Furan
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.09          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.37          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.65          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.64          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.81          _              _            false
diff --git a/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..32f359fe
--- /dev/null
+++ b/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Furan
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.33          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.67          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.02          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.86          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.05          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.48          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.59          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.26          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.81          _              _            false
diff --git a/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..bb1e59c2
--- /dev/null
+++ b/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Furan
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.17          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.50          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.81          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.70          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.88          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.38          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.41          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.55          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.14          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.67          _              _            false
diff --git a/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..41f7901f
--- /dev/null
+++ b/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Furan
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.18          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.38          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.60          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.70          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.90          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.28          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.28          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.15          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.68          _              _            false
diff --git a/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f4b2bcbe
--- /dev/null
+++ b/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Furan
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.28          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.54          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.83          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.81          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.00          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.40          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.46          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.26          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.78          _              _            false
diff --git a/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f3a330f2
--- /dev/null
+++ b/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Furan
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.22          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.52          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.83          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.75          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.94          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.34          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.41          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.49          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.20          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.73          _              _            false
diff --git a/static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..51df5f7c
--- /dev/null
+++ b/static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,19 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.83          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.23          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};double)                     5.26          _              _            false
+  1       1     A_g        2       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    6.80          _              _            false
+  1       1     A_g        1       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.86          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.40          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{V};n \rightarrow \pi^\star)    3.85          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  4.83          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.93          _              _            false
diff --git a/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8b4ce8c2
--- /dev/null
+++ b/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.91          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.30          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};double)                     7.26          _              _            false
+  1       1     A_g        2       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    6.73          _              _            false
+  1       1     A_g        1       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.74          _              _            false
diff --git a/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..87142244
--- /dev/null
+++ b/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.05          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.41          _              _            false
+  1       1     A_g        2       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    7.16          _              _            false
+  1       1     A_g        1       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.90          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.60          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{V};n \rightarrow \pi^\star)    3.96          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  5.32          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  6.38          _              _            false
diff --git a/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..82b842d7
--- /dev/null
+++ b/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.11          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.57          _              _            false
+  1       1     A_g        2       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    6.98          _              _            false
+  1       1     A_g        1       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.57          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.72          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.15          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  5.41          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  6.47          _              _            false
diff --git a/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a48afdfc
--- /dev/null
+++ b/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.91          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.27          _              _            false
+  1       1     A_g        2       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    6.94          _              _            false
+  1       1     A_g        1       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.51          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.57          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{V};n \rightarrow \pi^\star)    3.92          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  5.19          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  6.24          _              _            false
diff --git a/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0a652260
--- /dev/null
+++ b/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.13          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.49          _              _            false
+  1       1     A_g        2       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    7.20          _              _            false
+  1       1     A_g        1       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.80          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.76          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.11          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  5.32          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  6.35          _              _            false
diff --git a/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ab994306
--- /dev/null
+++ b/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Glyoxal
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.21          _              _            false
+  1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.63          _              _            false
+  1       1     A_g        2       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    7.22          _              _            false
+  1       1     A_g        1       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.78          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.84          _              _            false
+  1       1     A_g        1       3     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.24          _              _            false
+  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  5.40          _              _            false
+  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  6.42          _              _            false
diff --git a/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a35a9eb6
--- /dev/null
+++ b/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCCl}
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         1.98          _              _            false
diff --git a/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f38d7902
--- /dev/null
+++ b/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCCl}
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         1.65          _              _            false
diff --git a/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..752aa0e4
--- /dev/null
+++ b/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCCl}
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.01          _              _            false
diff --git a/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..633abc20
--- /dev/null
+++ b/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCCl}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         1.88          _              _            false
diff --git a/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ddadf7ec
--- /dev/null
+++ b/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCCl}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.01          _              _            false
diff --git a/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..81af5e19
--- /dev/null
+++ b/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCCl}
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.06          _              _            false
diff --git a/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..80ec28f5
--- /dev/null
+++ b/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCF}
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.50          _              _            false
diff --git a/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..df075b20
--- /dev/null
+++ b/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCF}
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.19          _              _            false
diff --git a/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..46526fe2
--- /dev/null
+++ b/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCF}
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.53          _              _            false
diff --git a/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..9f4f86fa
--- /dev/null
+++ b/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCF}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.38          _              _            false
diff --git a/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7e50a951
--- /dev/null
+++ b/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCF}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.51          _              _            false
diff --git a/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..57c35a62
--- /dev/null
+++ b/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HCF}
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.58          _              _            false
diff --git a/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..506f35dd
--- /dev/null
+++ b/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{HCP}
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.84          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.14          _              _            false
diff --git a/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5ac4c788
--- /dev/null
+++ b/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : \ce{HCP}
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.83          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.12          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.55          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.23          _              _            false
diff --git a/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3caab955
--- /dev/null
+++ b/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : \ce{HCP}
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.07          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.50          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
diff --git a/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..734a4bfc
--- /dev/null
+++ b/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : \ce{HCP}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.91          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.12          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.30          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
diff --git a/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..bc74d1e7
--- /dev/null
+++ b/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : \ce{HCP}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.02          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.23          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.37          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.47          _              _            false
diff --git a/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7febc498
--- /dev/null
+++ b/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : \ce{HCP}
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.07          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.29          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.38          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.52          _              _            false
diff --git a/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c5093144
--- /dev/null
+++ b/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPO}
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.48          _              _            false
diff --git a/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..fd083bb0
--- /dev/null
+++ b/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPO}
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.44          _              _            false
diff --git a/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e010a9aa
--- /dev/null
+++ b/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPO}
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.62          _              _            false
diff --git a/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..914aecf0
--- /dev/null
+++ b/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPO}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.39          _              _            false
diff --git a/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2f22d539
--- /dev/null
+++ b/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPO}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.57          _              _            false
diff --git a/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..cea7c733
--- /dev/null
+++ b/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPO}
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.68          _              _            false
diff --git a/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f4f0bec8
--- /dev/null
+++ b/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPS}
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.60          _              _            false
diff --git a/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..243c8f7c
--- /dev/null
+++ b/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPS}
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.39          _              _            false
diff --git a/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5fc05af3
--- /dev/null
+++ b/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPS}
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.75          _              _            false
diff --git a/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6e09fb9a
--- /dev/null
+++ b/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPS}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.60          _              _            false
diff --git a/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..aa0ad0df
--- /dev/null
+++ b/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPS}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.74          _              _            false
diff --git a/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..79af846b
--- /dev/null
+++ b/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HPS}
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.79          _              _            false
diff --git a/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7eaf9dee
--- /dev/null
+++ b/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HSiF}
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ac9ea7a6
--- /dev/null
+++ b/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HSiF}
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.78          _              _            false
diff --git a/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ad59d707
--- /dev/null
+++ b/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HSiF}
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.21          _              _            false
diff --git a/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4159e615
--- /dev/null
+++ b/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HSiF}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.12          _              _            false
diff --git a/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..312d82c1
--- /dev/null
+++ b/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HSiF}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.22          _              _            false
diff --git a/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8310a141
--- /dev/null
+++ b/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{HSiF}
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.24          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3466ae41
--- /dev/null
+++ b/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Hydrogen chloride
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.85          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..87fe4f51
--- /dev/null
+++ b/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Hydrogen chloride
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.73          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a93be4fc
--- /dev/null
+++ b/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Hydrogen chloride
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.97          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c16a8e79
--- /dev/null
+++ b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Hydrogen chloride
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.87          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8b5f9beb
--- /dev/null
+++ b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Hydrogen chloride
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.98          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ca2198b4
--- /dev/null
+++ b/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Hydrogen chloride
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.98          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e90b44d6
--- /dev/null
+++ b/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Hydrogen sulfide
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.23          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.28          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b59c0d25
--- /dev/null
+++ b/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Hydrogen sulfide
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.00          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.14          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.61          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.75          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f55e1327
--- /dev/null
+++ b/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Hydrogen sulfide
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.31          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.35          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.92          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.00          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..34fa1355
--- /dev/null
+++ b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Hydrogen sulfide
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.20          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.30          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.85          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.97          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..dd9aed40
--- /dev/null
+++ b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Hydrogen sulfide
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.30          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.39          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.93          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.05          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..895345fc
--- /dev/null
+++ b/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Hydrogen sulfide
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.28          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.37          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.93          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.03          _              _            false
diff --git a/static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..419818be
--- /dev/null
+++ b/static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Imidazole
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.61          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.31          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.39          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.47          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.57          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.49          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.26          _              _            false
diff --git a/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1243ec79
--- /dev/null
+++ b/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Imidazole
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.72          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.46          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.51          _              _            false
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.91          _              _            true
diff --git a/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a72448ab
--- /dev/null
+++ b/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Imidazole
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         6.00          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.80          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.76          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.92          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.96          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.99          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.53          _              _            false
diff --git a/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3afa8c38
--- /dev/null
+++ b/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Imidazole
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.83          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.53          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.58          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.92          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.81          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.88          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.50          _              _            false
diff --git a/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..00e644bc
--- /dev/null
+++ b/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Imidazole
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.84          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.37          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.56          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.77          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.82          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.68          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.35          _              _            false
diff --git a/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ec15404d
--- /dev/null
+++ b/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Imidazole
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.95          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.56          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.67          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.90          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.93          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.82          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.54          _              _            false
diff --git a/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3874a8ec
--- /dev/null
+++ b/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Imidazole
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.90          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.55          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.63          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.91          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.89          _              _            false
+  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
+  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.57          _              _            false
diff --git a/static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..32469225
--- /dev/null
+++ b/static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Isobutene
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.33          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.82          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.30          _              _            false
diff --git a/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0161e78a
--- /dev/null
+++ b/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Isobutene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.47          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.01          _              _            false
diff --git a/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e5b980f8
--- /dev/null
+++ b/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Isobutene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.56          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.06          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.52          _              _            false
diff --git a/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6bd58567
--- /dev/null
+++ b/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Isobutene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.58          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.11          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.63          _              _            false
diff --git a/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..20d2771d
--- /dev/null
+++ b/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Isobutene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.62          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.07          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.55          _              _            false
diff --git a/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d867affb
--- /dev/null
+++ b/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Isobutene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.73          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.19          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.64          _              _            false
diff --git a/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..7306196a
--- /dev/null
+++ b/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Isobutene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.69          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.18          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.64          _              _            false
diff --git a/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ae6bd405
--- /dev/null
+++ b/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.90          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           5.99          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.20          _              _            false
diff --git a/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..bd209d97
--- /dev/null
+++ b/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.05          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           6.21          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.43          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.90          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.66          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.00          _              _            false
+  1       1     A_1        2       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
diff --git a/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2fc9315b
--- /dev/null
+++ b/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.15          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           5.09          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.25          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.01          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.73          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.94          _              _            false
+  1       1     A_1        2       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.22          _              _            false
diff --git a/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..cdf76f67
--- /dev/null
+++ b/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.91          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           6.13          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.32          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.82          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.58          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.00          _              _            false
+  1       1     A_1        2       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.31          _              _            false
diff --git a/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..41468c0b
--- /dev/null
+++ b/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.09          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           6.25          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.44          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.99          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.71          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.11          _              _            false
+  1       1     A_1        2       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.42          _              _            false
diff --git a/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d5212050
--- /dev/null
+++ b/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.14          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           6.16          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.33          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.03          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.73          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.02          _              _            false
+  1       1     A_1        2       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.32          _              _            false
diff --git a/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d1c198c7
--- /dev/null
+++ b/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Methanimine
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.22          _              _            false
diff --git a/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ed4a4946
--- /dev/null
+++ b/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Methanimine
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.15          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.52          _              _            false
diff --git a/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2fe15b42
--- /dev/null
+++ b/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Methanimine
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.43          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.81          _              _            false
diff --git a/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ac3895d9
--- /dev/null
+++ b/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Methanimine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.28          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.72          _              _            false
diff --git a/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8c1c57c0
--- /dev/null
+++ b/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Methanimine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.45          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.87          _              _            false
diff --git a/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ef0f28ff
--- /dev/null
+++ b/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Methanimine
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.48          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.90          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..306a92a3
--- /dev/null
+++ b/static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Methylenecyclopropene
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.18          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.26          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.78          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.91          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.30          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.51          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..209c699c
--- /dev/null
+++ b/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Methylenecyclopropene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.38          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.45          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.97          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.14          _              _            true
diff --git a/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..db9e9185
--- /dev/null
+++ b/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Methylenecyclopropene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.54          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.54          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.05          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.21          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.62          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.75          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..65ce8b30
--- /dev/null
+++ b/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Methylenecyclopropene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.74          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.51          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.04          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.20          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.78          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.86          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6d903e96
--- /dev/null
+++ b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Methylenecyclopropene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.61          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.50          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.04          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.12          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.68          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.75          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..66f2b1a2
--- /dev/null
+++ b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Methylenecyclopropene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.79          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.60          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.14          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.24          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.81          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.86          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..85793aef
--- /dev/null
+++ b/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Methylenecyclopropene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.86          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.59          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.13          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.26          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.84          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.87          _              _            false
diff --git a/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..27ba7df0
--- /dev/null
+++ b/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.96          _              _            false
+  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};double)                     6.02          _              _            false
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.38          _              _            false
diff --git a/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..24415d47
--- /dev/null
+++ b/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.01          _              _            false
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.49          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.14          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.68          _              _            false
diff --git a/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8fa69912
--- /dev/null
+++ b/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.07          _              _            false
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.25          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.28          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.71          _              _            false
diff --git a/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d021d67c
--- /dev/null
+++ b/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.83          _              _            false
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.29          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.11          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.46          _              _            false
diff --git a/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6a854918
--- /dev/null
+++ b/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.04          _              _            false
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.48          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.28          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.58          _              _            false
diff --git a/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..51d295b5
--- /dev/null
+++ b/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.12          _              _            false
+  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.45          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.36          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
diff --git a/static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..49e6c450
--- /dev/null
+++ b/static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Propynal
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.81          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.20          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.45          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.10          _              _            false
diff --git a/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5f62d025
--- /dev/null
+++ b/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Propynal
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.85          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.55          _              _            false
diff --git a/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..28dbed2c
--- /dev/null
+++ b/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Propynal
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.95          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.79          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.55          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.65          _              _            false
diff --git a/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1cdcad53
--- /dev/null
+++ b/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Propynal
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.09          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.86          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.72          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.68          _              _            false
diff --git a/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5a994058
--- /dev/null
+++ b/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Propynal
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.78          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.77          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.48          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.51          _              _            false
diff --git a/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..88155cb4
--- /dev/null
+++ b/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Propynal
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.00          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.93          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.68          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.63          _              _            false
diff --git a/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..490317a8
--- /dev/null
+++ b/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,14 @@
+# Molecule : Propynal
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.16          _              _            false
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.93          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.81          _              _            false
+  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.66          _              _            false
diff --git a/static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..78d9d236
--- /dev/null
+++ b/static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,22 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.13          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.21          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.88          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.67          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{R};n \rightarrow 3s)           6.96          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.00          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.66          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         7.18          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    3.52          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.05          _              _            false
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.10          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.15          _              _            false
diff --git a/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..eb31beb3
--- /dev/null
+++ b/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.20          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.06          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.06          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.80          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{R};n \rightarrow 3s)           6.74          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    6.87          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.88          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         7.21          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.35          _              _            false
+  1       1     A_g        2       1     B_{1u}       (\mathrm{R};\pi \rightarrow 3p)         7.52          _              _            false
+  1       1     A_g        3       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  8.02          _              _            true
diff --git a/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..69df78a5
--- /dev/null
+++ b/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,25 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.58          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.40          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.50          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.23          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{R};n \rightarrow 3s)           7.04          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.30          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.14          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         7.50          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.66          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    3.94          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.60          _              _            false
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.72          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.34          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.39          _              _            false
+  1       1     A_g        2       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.70          _              _            false
diff --git a/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1f8c34c0
--- /dev/null
+++ b/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,25 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.34          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.14          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.00          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.02          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{R};n \rightarrow 3s)           6.66          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    6.95          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.85          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         7.25          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.22          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    3.82          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.55          _              _            false
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.54          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.12          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.34          _              _            false
+  1       1     A_g        2       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.48          _              _            false
diff --git a/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e77f82e8
--- /dev/null
+++ b/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,25 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.24          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.07          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.71          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.89          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{R};n \rightarrow 3s)           6.82          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    6.84          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.60          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         7.22          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.40          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    3.75          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.41          _              _            false
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.35          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.08          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.24          _              _            false
+  1       1     A_g        2       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.25          _              _            false
diff --git a/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..cc46eb43
--- /dev/null
+++ b/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,25 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.46          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.31          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.95          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.11          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{R};n \rightarrow 3s)           6.99          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.11          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.78          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         7.33          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.58          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    3.95          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.53          _              _            false
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.53          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.31          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.42          _              _            false
+  1       1     A_g        2       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.43          _              _            false
diff --git a/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..74699118
--- /dev/null
+++ b/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,25 @@
+# Molecule : Pyrazine
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.44          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.28          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.93          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.10          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{R};n \rightarrow 3s)           6.89          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.09          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.81          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         7.27          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.47          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    3.93          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.53          _              _            false
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.52          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.28          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.43          _              _            false
+  1       1     A_g        2       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.43          _              _            false
diff --git a/static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..16e1dac8
--- /dev/null
+++ b/static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Pyridazine
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.86          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.60          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.18          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.74          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.67          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.62          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.12          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.22          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.07          _              _            true
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.46          _              _            false
diff --git a/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..25c6dabd
--- /dev/null
+++ b/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Pyridazine
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.89          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.47          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.32          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.82          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.31          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.47          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.77          _              _            false
diff --git a/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..9c1085e3
--- /dev/null
+++ b/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyridazine
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.28          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.85          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.77          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.27          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.65          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.85          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.10          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.53          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.49          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.62          _              _            true
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.19          _              _            false
diff --git a/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b469a995
--- /dev/null
+++ b/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyridazine
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.01          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.54          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.27          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.03          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.14          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.59          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.73          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.41          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.30          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.55          _              _            true
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.00          _              _            false
diff --git a/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1323d1d3
--- /dev/null
+++ b/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyridazine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.90          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.46          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.96          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.93          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.31          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.50          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.50          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.33          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.23          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            true
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.78          _              _            false
diff --git a/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c3545f8a
--- /dev/null
+++ b/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyridazine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.14          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.71          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.21          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.17          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.50          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.74          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.69          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.54          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.46          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.51          _              _            true
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.95          _              _            false
diff --git a/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..871811f9
--- /dev/null
+++ b/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyridazine
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.12          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.68          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.20          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.15          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.41          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.72          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.71          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.53          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.44          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.51          _              _            true
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.96          _              _            false
diff --git a/static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f9d030f2
--- /dev/null
+++ b/static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,24 @@
+# Molecule : Pyridine
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.99          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.08          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.70          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.17          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \rightarrow 3s)           6.39          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.65          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         7.21          _              _            false
+  1       1     A_1        4       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.27          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.43          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.75          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.62          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.98          _              _            false
diff --git a/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0ca28f4e
--- /dev/null
+++ b/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Pyridine
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.03          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.20          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.48          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.65          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \rightarrow 3s)           6.86          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.83          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         7.40          _              _            false
+  1       1     A_1        4       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.47          _              _            false
diff --git a/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..643f3e56
--- /dev/null
+++ b/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,23 @@
+# Molecule : Pyridine
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.36          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.57          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.77          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.87          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \rightarrow 3s)           7.13          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.08          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         7.64          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.53          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.76          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.08          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.71          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.43          _              _            false
diff --git a/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d89b7552
--- /dev/null
+++ b/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,25 @@
+# Molecule : Pyridine
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.20          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.17          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.53          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.61          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \rightarrow 3s)           6.73          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.84          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
+  1       1     A_1        4       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.62          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.45          _              _            true
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.50          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.71          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.95          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.51          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.44          _              _            false
diff --git a/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..dfe557e2
--- /dev/null
+++ b/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,25 @@
+# Molecule : Pyridine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.09          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.87          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.40          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.36          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \rightarrow 3s)           6.85          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.80          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         7.36          _              _            false
+  1       1     A_1        4       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.39          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.31          _              _            true
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.38          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.63          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.76          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.01          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.42          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.28          _              _            false
diff --git a/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1d54912e
--- /dev/null
+++ b/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,25 @@
+# Molecule : Pyridine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.31          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.10          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.65          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.54          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \rightarrow 3s)           7.04          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.92          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         7.47          _              _            false
+  1       1     A_1        4       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.58          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.49          _              _            true
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.82          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.93          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.17          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.65          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.43          _              _            false
diff --git a/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c9c1db25
--- /dev/null
+++ b/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,25 @@
+# Molecule : Pyridine
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.30          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.09          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.65          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.57          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \rightarrow 3s)           6.96          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.87          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         7.42          _              _            false
+  1       1     A_1        4       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.55          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.48          _              _            true
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.82          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.94          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.18          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.65          _              _            false
+  1       1     A_1        2       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.47          _              _            false
diff --git a/static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1b1d2fdf
--- /dev/null
+++ b/static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyrimidine
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.54          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.06          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.08          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.52          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.11          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.52          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.12          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.23          _              _            true
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.73          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.63          _              _            false
diff --git a/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c972af1c
--- /dev/null
+++ b/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Pyrimidine
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.51          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.94          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.44          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.02          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.36          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.81          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.89          _              _            false
diff --git a/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..fb8fb0a3
--- /dev/null
+++ b/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyrimidine
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.85          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.21          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.81          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.35          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.65          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.05          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.13          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.44          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.79          _              _            true
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.98          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.24          _              _            false
diff --git a/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c649b732
--- /dev/null
+++ b/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyrimidine
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.64          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.99          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.38          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.19          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.47          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.67          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.32          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.75          _              _            true
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.86          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.13          _              _            false
diff --git a/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..13bb5412
--- /dev/null
+++ b/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyrimidine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.50          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.83          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.05          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.05          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.32          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.77          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.63          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.23          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.64          _              _            true
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.75          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.92          _              _            false
diff --git a/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..42dc7fdb
--- /dev/null
+++ b/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyrimidine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.74          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.08          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.29          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.29          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.56          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.96          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.81          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.45          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.76          _              _            true
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.97          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.08          _              _            false
diff --git a/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..bab9a04a
--- /dev/null
+++ b/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,21 @@
+# Molecule : Pyrimidine
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.75          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.10          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.20          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.30          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.58          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.90          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.87          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.45          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.75          _              _            true
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.98          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.10          _              _            false
diff --git a/static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ce50e2a4
--- /dev/null
+++ b/static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Pyrrole
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.14          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.89          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.91          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.11          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.29          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.69          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.26          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.11          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.23          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.84          _              _            false
diff --git a/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5d73bf3c
--- /dev/null
+++ b/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Pyrrole
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.26          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.00          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.03          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.27          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.36          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.85          _              _            false
diff --git a/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..67eb5ccc
--- /dev/null
+++ b/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Pyrrole
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.54          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.23          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.29          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.56          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.70          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.10          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.70          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.51          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.16          _              _            false
diff --git a/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..777a0829
--- /dev/null
+++ b/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Pyrrole
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.36          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.01          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.07          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.34          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.42          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.90          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.69          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.34          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.56          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.97          _              _            false
diff --git a/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..32ee7698
--- /dev/null
+++ b/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Pyrrole
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.37          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.98          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.07          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.28          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.19          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.79          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.55          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.36          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.36          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.94          _              _            false
diff --git a/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2441025f
--- /dev/null
+++ b/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Pyrrole
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.49          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.10          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.18          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.41          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.41          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.93          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.67          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.47          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.50          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.07          _              _            false
diff --git a/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e93854fd
--- /dev/null
+++ b/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,20 @@
+# Molecule : Pyrrole
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.43          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.06          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.13          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.37          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.40          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.91          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.68          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.41          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.51          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.02          _              _            false
diff --git a/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ff33cbbf
--- /dev/null
+++ b/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : \ce{SiCl2}
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
diff --git a/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..817d9d9d
--- /dev/null
+++ b/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{SiCl2}
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.70          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.18          _              _            false
diff --git a/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0a0b899b
--- /dev/null
+++ b/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{SiCl2}
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.02          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          _              _            false
diff --git a/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e48f760f
--- /dev/null
+++ b/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{SiCl2}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
diff --git a/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4ddddaee
--- /dev/null
+++ b/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{SiCl2}
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.01          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.51          _              _            false
diff --git a/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..9352f488
--- /dev/null
+++ b/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : \ce{SiCl2}
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.04          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
diff --git a/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..989922e9
--- /dev/null
+++ b/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Silylidene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.17          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.80          _              _            false
diff --git a/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..56ceda8e
--- /dev/null
+++ b/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Silylidene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.09          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.66          _              _            false
diff --git a/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d60bada1
--- /dev/null
+++ b/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Silylidene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.35          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.91          _              _            false
diff --git a/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c3779a81
--- /dev/null
+++ b/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Silylidene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.24          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.87          _              _            false
diff --git a/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..fdb02e1c
--- /dev/null
+++ b/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Silylidene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.35          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.98          _              _            false
diff --git a/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d3d03647
--- /dev/null
+++ b/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Silylidene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#4,1
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.35          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.94          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..592a5c0d
--- /dev/null
+++ b/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Streptocyanine-C1
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.16          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e10a12d9
--- /dev/null
+++ b/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Streptocyanine-C1
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.12          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.48          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d8fb8258
--- /dev/null
+++ b/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Streptocyanine-C1
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.20          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.69          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..82fc5461
--- /dev/null
+++ b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Streptocyanine-C1
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.81          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.54          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ee928381
--- /dev/null
+++ b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Streptocyanine-C1
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.03          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.70          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..cde953aa
--- /dev/null
+++ b/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Streptocyanine-C1
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.20          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.73          _              _            false
diff --git a/static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..995851a5
--- /dev/null
+++ b/static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,29 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.42          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.87          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};double)                     4.54          _              _            true
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    4.97          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.08          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.13          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.49          _              _            false
+  1       1     A_g        1       1     B_{3g}       (\mathrm{V};double)                     6.54          _              _            true
+  1       1     A_g        2       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.50          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    6.59          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    1.74          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.54          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    4.06          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.14          _              _            true
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.06          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    4.86          _              _            false
+  1       1     A_g        2       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.07          _              _            false
+  1       1     A_g        1       3     B_{3g}       (\mathrm{V};double)                     6.34          _              _            true
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.06          _              _            false
diff --git a/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ce2e292d
--- /dev/null
+++ b/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.52          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.78          _              _            false
+  1       1     A_g        2       1     A_g          (\mathrm{V};double)                     6.77          _              _            true
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    5.03          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.26          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.57          _              _            false
+  1       1     A_g        2       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.32          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.05          _              _            false
diff --git a/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..cf8aa190
--- /dev/null
+++ b/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,26 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    3.01          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    4.22          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    5.56          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.18          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    6.11          _              _            false
+  1       1     A_g        2       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.87          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.55          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.31          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.92          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    4.54          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.85          _              _            true
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.96          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.51          _              _            false
+  1       1     A_g        2       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.62          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.94          _              _            false
diff --git a/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..32770ca2
--- /dev/null
+++ b/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,26 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.60          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.84          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    5.20          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.14          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.84          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.79          _              _            false
+  1       1     A_g        2       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.50          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.22          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.05          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.64          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    4.44          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.71          _              _            true
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.69          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.37          _              _            false
+  1       1     A_g        2       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.40          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
diff --git a/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..83b26636
--- /dev/null
+++ b/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,26 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.50          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.80          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    5.05          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.78          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.72          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.69          _              _            false
+  1       1     A_g        2       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.42          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.07          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    1.98          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.62          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    4.32          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.52          _              _            true
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.46          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.28          _              _            false
+  1       1     A_g        2       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.33          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.39          _              _            false
diff --git a/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..aded6e86
--- /dev/null
+++ b/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,26 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.75          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    4.06          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    5.31          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.06          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.97          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.94          _              _            false
+  1       1     A_g        2       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.69          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.39          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.21          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.85          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    4.52          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.65          _              _            true
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.65          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.49          _              _            false
+  1       1     A_g        2       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.56          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.59          _              _            false
diff --git a/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4f795f88
--- /dev/null
+++ b/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,26 @@
+# Molecule : Tetrazine
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.71          _              _            false
+  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    4.01          _              _            false
+  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    5.28          _              _            false
+  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.05          _              _            false
+  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.94          _              _            false
+  1       1     A_g        2       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.91          _              _            false
+  1       1     A_g        2       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.66          _              _            false
+  1       1     A_g        2       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.35          _              _            false
+  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.17          _              _            false
+  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.81          _              _            false
+  1       1     A_g        1       3     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    4.52          _              _            false
+  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.65          _              _            true
+  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.65          _              _            false
+  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.47          _              _            false
+  1       1     A_g        2       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.53          _              _            false
+  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.62          _              _            false
diff --git a/static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1cacd557
--- /dev/null
+++ b/static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Thioacetone
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.50          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.65          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.53          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.53          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.64          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.26          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.17          _              _            false
diff --git a/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f1aa1d63
--- /dev/null
+++ b/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,15 @@
+# Molecule : Thioacetone
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.57          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.61          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.93          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.54          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.66          _              _            false
diff --git a/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a541384b
--- /dev/null
+++ b/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Thioacetone
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.41          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.53          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.78          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.48          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.58          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.16          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.38          _              _            false
diff --git a/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..38bcc37b
--- /dev/null
+++ b/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Thioacetone
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.68          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.74          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.11          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.61          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.74          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.44          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.57          _              _            false
diff --git a/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..fe06cd12
--- /dev/null
+++ b/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Thioacetone
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.38          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.69          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.56          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.68          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.22          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.39          _              _            false
diff --git a/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..55c05101
--- /dev/null
+++ b/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Thioacetone
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.56          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.80          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.87          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.66          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.79          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.37          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.50          _              _            false
diff --git a/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a5ef6506
--- /dev/null
+++ b/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,17 @@
+# Molecule : Thioacetone
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.70          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.85          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.12          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.69          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.84          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.49          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.55          _              _            false
diff --git a/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..cbcb7f84
--- /dev/null
+++ b/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.24          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.94          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.51          _              _            false
diff --git a/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..88e403f8
--- /dev/null
+++ b/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.00          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.80          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.35          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    1.67          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.25          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{R};n \rightarrow 3s)           5.59          _              _            false
diff --git a/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..d6e05032
--- /dev/null
+++ b/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.39          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.00          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.69          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.06          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.45          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{R};n \rightarrow 3s)           5.83          _              _            false
diff --git a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..be93e3f8
--- /dev/null
+++ b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.16          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.95          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.40          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    1.91          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.32          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{R};n \rightarrow 3s)           5.80          _              _            false
diff --git a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2f7f14a5
--- /dev/null
+++ b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.32          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.06          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.53          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.04          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.40          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{R};n \rightarrow 3s)           5.89          _              _            false
diff --git a/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ad8ee755
--- /dev/null
+++ b/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.42          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.09          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.69          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.12          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.43          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{R};n \rightarrow 3s)           5.92          _              _            false
diff --git a/static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e8fcd7b9
--- /dev/null
+++ b/static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,22 @@
+# Molecule : Thiophene
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.61          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.79          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.03          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.02          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.14          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.43          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.18          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.17          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.65          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.56          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.83          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.97          _              _            false
diff --git a/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..91b3a1ee
--- /dev/null
+++ b/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,18 @@
+# Molecule : Thiophene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.69          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.99          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.15          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.18          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.28          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.52          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.31          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.91          _              _            true
diff --git a/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f70fc0ac
--- /dev/null
+++ b/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,22 @@
+# Molecule : Thiophene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.90          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.27          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.45          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.54          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.37          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.68          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.62          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.48          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.11          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.88          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.36          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.10          _              _            false
diff --git a/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..92e4e850
--- /dev/null
+++ b/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,22 @@
+# Molecule : Thiophene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.73          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.09          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.19          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.35          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.38          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.57          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.35          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.56          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.08          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.22          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.16          _              _            false
diff --git a/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..9e455903
--- /dev/null
+++ b/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,22 @@
+# Molecule : Thiophene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.52          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.93          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.21          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.38          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.27          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.54          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.36          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.48          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.94          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.70          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.27          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.18          _              _            false
diff --git a/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4e05fe4d
--- /dev/null
+++ b/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,22 @@
+# Molecule : Thiophene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.10          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.32          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.52          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.40          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.66          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.47          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.63          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.06          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.85          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.41          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.30          _              _            false
diff --git a/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f81d2e49
--- /dev/null
+++ b/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,22 @@
+# Molecule : Thiophene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.73          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.10          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.26          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.45          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.39          _              _            false
+  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.62          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.40          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.60          _              _            true
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.06          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.87          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.33          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.23          _              _            false
diff --git a/static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..37fbe19e
--- /dev/null
+++ b/static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Thiopropynal
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.86          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.63          _              _            false
diff --git a/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..612ff6ad
--- /dev/null
+++ b/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Thiopropynal
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.08          _              _            false
diff --git a/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2ec250e0
--- /dev/null
+++ b/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Thiopropynal
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.95          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.65          _              _            false
diff --git a/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e736f1e8
--- /dev/null
+++ b/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Thiopropynal
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.26          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.97          _              _            false
diff --git a/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ba76853c
--- /dev/null
+++ b/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Thiopropynal
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.02          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.79          _              _            false
diff --git a/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..dc53722f
--- /dev/null
+++ b/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Thiopropynal
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.18          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.94          _              _            false
diff --git a/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8085e4af
--- /dev/null
+++ b/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Thiopropynal
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.29          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.03          _              _            false
diff --git a/static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a0027596
--- /dev/null
+++ b/static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,23 @@
+# Molecule : Triazine
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.83          _              _            false
+  1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.99          _              _            false
+  1       1     A_1^\prime 1       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.95          _              _            false
+  1       1     A_1^\prime 1       1     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.78          _              _            false
+  1       1     A_1^\prime 2       1     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  6.78          _              _            false
+  1       1     A_1^\prime 1       1     E^\prime     (\mathrm{R};n \rightarrow 3s)           7.68          _              _            false
+  1       1     A_1^\prime 2       1     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  7.88          _              _            false
+  1       1     A_1^\prime 1       3     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.35          _              _            false
+  1       1     A_1^\prime 1       3     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.59          _              _            false
+  1       1     A_1^\prime 1       3     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.53          _              _            false
+  1       1     A_1^\prime 1       3     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  4.97          _              _            false
+  1       1     A_1^\prime 1       3     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.32          _              _            false
+  1       1     A_1^\prime 1       3     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  6.27          _              _            false
diff --git a/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..aaf11736
--- /dev/null
+++ b/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Triazine
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.80          _              _            false
+  1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.82          _              _            false
+  1       1     A_1^\prime 1       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.86          _              _            false
+  1       1     A_1^\prime 1       1     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.82          _              _            false
+  1       1     A_1^\prime 2       1     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  7.27          _              _            false
+  1       1     A_1^\prime 1       1     E^\prime     (\mathrm{R};n \rightarrow 3s)           7.41          _              _            false
diff --git a/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4a2c3d11
--- /dev/null
+++ b/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,22 @@
+# Molecule : Triazine
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.04          _              _            false
+  1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.17          _              _            false
+  1       1     A_1^\prime 1       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.15          _              _            false
+  1       1     A_1^\prime 1       1     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  6.20          _              _            false
+  1       1     A_1^\prime 2       1     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  7.50          _              _            false
+  1       1     A_1^\prime 1       1     E^\prime     (\mathrm{R};n \rightarrow 3s)           7.59          _              _            false
+  1       1     A_1^\prime 1       3     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.70          _              _            false
+  1       1     A_1^\prime 1       3     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.84          _              _            false
+  1       1     A_1^\prime 1       3     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.04          _              _            false
+  1       1     A_1^\prime 1       3     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.19          _              _            false
+  1       1     A_1^\prime 1       3     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.98          _              _            false
+  1       1     A_1^\prime 1       3     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  6.75          _              _            false
diff --git a/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..117f128e
--- /dev/null
+++ b/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,24 @@
+# Molecule : Triazine
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.82          _              _            false
+  1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.01          _              _            false
+  1       1     A_1^\prime 1       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.96          _              _            false
+  1       1     A_1^\prime 1       1     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
+  1       1     A_1^\prime 2       1     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  7.32          _              _            false
+  1       1     A_1^\prime 1       1     E^\prime     (\mathrm{R};n \rightarrow 3s)           7.28          _              _            false
+  1       1     A_1^\prime 2       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    8.08          _              _            false
+  1       1     A_1^\prime 2       1     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  7.99          _              _            false
+  1       1     A_1^\prime 1       3     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.61          _              _            false
+  1       1     A_1^\prime 1       3     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.72          _              _            false
+  1       1     A_1^\prime 1       3     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.87          _              _            false
+  1       1     A_1^\prime 1       3     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.13          _              _            false
+  1       1     A_1^\prime 1       3     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.84          _              _            false
+  1       1     A_1^\prime 1       3     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  6.86          _              _            false
diff --git a/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4450b8db
--- /dev/null
+++ b/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,24 @@
+# Molecule : Triazine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.60          _              _            false
+  1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.89          _              _            false
+  1       1     A_1^\prime 1       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.79          _              _            false
+  1       1     A_1^\prime 1       1     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.36          _              _            false
+  1       1     A_1^\prime 2       1     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  7.01          _              _            false
+  1       1     A_1^\prime 1       1     E^\prime     (\mathrm{R};n \rightarrow 3s)           7.33          _              _            false
+  1       1     A_1^\prime 2       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    7.93          _              _            false
+  1       1     A_1^\prime 2       1     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  7.77          _              _            false
+  1       1     A_1^\prime 1       3     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.55          _              _            false
+  1       1     A_1^\prime 1       3     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.60          _              _            false
+  1       1     A_1^\prime 1       3     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.69          _              _            false
+  1       1     A_1^\prime 1       3     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.04          _              _            false
+  1       1     A_1^\prime 1       3     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.61          _              _            false
+  1       1     A_1^\prime 1       3     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  6.62          _              _            false
diff --git a/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..58c0c191
--- /dev/null
+++ b/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,24 @@
+# Molecule : Triazine
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.86          _              _            false
+  1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.03          _              _            false
+  1       1     A_1^\prime 1       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.12          _              _            false
+  1       1     A_1^\prime 1       1     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.62          _              _            false
+  1       1     A_1^\prime 2       1     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  7.21          _              _            false
+  1       1     A_1^\prime 1       1     E^\prime     (\mathrm{R};n \rightarrow 3s)           7.51          _              _            false
+  1       1     A_1^\prime 2       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    8.17          _              _            false
+  1       1     A_1^\prime 2       1     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  7.98          _              _            false
+  1       1     A_1^\prime 1       3     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.76          _              _            false
+  1       1     A_1^\prime 1       3     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.83          _              _            false
+  1       1     A_1^\prime 1       3     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.93          _              _            false
+  1       1     A_1^\prime 1       3     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.17          _              _            false
+  1       1     A_1^\prime 1       3     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.80          _              _            false
+  1       1     A_1^\prime 1       3     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  6.80          _              _            false
diff --git a/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..bdd39b03
--- /dev/null
+++ b/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,24 @@
+# Molecule : Triazine
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.91          _              _            false
+  1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.14          _              _            false
+  1       1     A_1^\prime 1       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.07          _              _            false
+  1       1     A_1^\prime 1       1     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
+  1       1     A_1^\prime 2       1     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  7.31          _              _            false
+  1       1     A_1^\prime 1       1     E^\prime     (\mathrm{R};n \rightarrow 3s)           7.48          _              _            false
+  1       1     A_1^\prime 2       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    8.20          _              _            false
+  1       1     A_1^\prime 2       1     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  8.07          _              _            false
+  1       1     A_1^\prime 1       3     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.76          _              _            false
+  1       1     A_1^\prime 1       3     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.85          _              _            false
+  1       1     A_1^\prime 1       3     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.98          _              _            false
+  1       1     A_1^\prime 1       3     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.14          _              _            false
+  1       1     A_1^\prime 1       3     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.82          _              _            false
+  1       1     A_1^\prime 1       3     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  6.90          _              _            false
diff --git a/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1b2f9ce8
--- /dev/null
+++ b/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,13 @@
+# Molecule : Water
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.61          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.38          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3s)           9.97          _              _            false
diff --git a/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..dc6f45af
--- /dev/null
+++ b/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Water
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.58          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.35          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3s)           9.91          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};n \rightarrow 3s)           7.18          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.19          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{R};n \rightarrow 3s)           9.45          _              _            false
diff --git a/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..df3f2425
--- /dev/null
+++ b/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Water
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.38          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.08          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3s)           9.74          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};n \rightarrow 3s)           7.07          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         8.97          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{R};n \rightarrow 3s)           9.39          _              _            false
diff --git a/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6be739d3
--- /dev/null
+++ b/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Water
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.23          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         8.95          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3s)           9.59          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};n \rightarrow 3s)           6.95          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         8.85          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{R};n \rightarrow 3s)           9.28          _              _            false
diff --git a/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f5956f8f
--- /dev/null
+++ b/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Water
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.40          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.12          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3s)           9.76          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};n \rightarrow 3s)           7.10          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.09          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{R};n \rightarrow 3s)           9.43          _              _            false
diff --git a/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3b365406
--- /dev/null
+++ b/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,16 @@
+# Molecule : Water
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.45          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.17          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3s)           9.82          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};n \rightarrow 3s)           7.15          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.07          _              _            false
+  1       1     A_1        1       3     A_1          (\mathrm{R};n \rightarrow 3s)           9.48          _              _            false
diff --git a/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ac421e55
--- /dev/null
+++ b/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.64          _              _            false
+  1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.84          _              _            false
diff --git a/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e771a378
--- /dev/null
+++ b/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.63          _              _            false
+  1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.84          _              _            false
diff --git a/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..9f2ec585
--- /dev/null
+++ b/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.93          _              _            false
+  1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.10          _              _            false
diff --git a/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0c7915ce
--- /dev/null
+++ b/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.66          _              _            false
+  1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.86          _              _            false
diff --git a/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1698b7de
--- /dev/null
+++ b/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.77          _              _            false
+  1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.97          _              _            false
diff --git a/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..214a66ad
--- /dev/null
+++ b/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,12 @@
+# Molecule : Acetylene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.93          _              _            false
+  1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.09          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..85a8d1f9
--- /dev/null
+++ b/static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : ADC(2.5),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.21          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..75fc152a
--- /dev/null
+++ b/static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  2.78          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b4a8a45c
--- /dev/null
+++ b/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.54          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ef54ef6a
--- /dev/null
+++ b/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.71          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6326a8ad
--- /dev/null
+++ b/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.85          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..cb88bcf9
--- /dev/null
+++ b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.57          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0635fdb1
--- /dev/null
+++ b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.72          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..69d4d833
--- /dev/null
+++ b/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanoacetylene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.88          _              _            false
diff --git a/static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..743c8e32
--- /dev/null
+++ b/static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : ADC(2.5),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.86          _              _            false
diff --git a/static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..c5769a2f
--- /dev/null
+++ b/static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : ADC(3),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.32          _              _            false
diff --git a/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..e97387c2
--- /dev/null
+++ b/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.06          _              _            false
diff --git a/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..57d1a17a
--- /dev/null
+++ b/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.57          _              _            false
diff --git a/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..4a1ab5c2
--- /dev/null
+++ b/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.58          _              _            false
diff --git a/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..201ab74a
--- /dev/null
+++ b/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
diff --git a/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..8313ac40
--- /dev/null
+++ b/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.54          _              _            false
diff --git a/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..cf6b2765
--- /dev/null
+++ b/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Cyanogen
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#3,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.63          _              _            false
diff --git a/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..399e73e5
--- /dev/null
+++ b/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  0.70          _              _            false
diff --git a/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..ddab6c53
--- /dev/null
+++ b/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  0.85          _              _            false
diff --git a/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a474f569
--- /dev/null
+++ b/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  0.98          _              _            false
diff --git a/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f60ded22
--- /dev/null
+++ b/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  0.74          _              _            false
diff --git a/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..9b65544f
--- /dev/null
+++ b/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  0.93          _              _            false
diff --git a/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..5dc39fef
--- /dev/null
+++ b/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Diazomethane
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.01          _              _            false
diff --git a/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..185d37fa
--- /dev/null
+++ b/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.86          _              _            false
diff --git a/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..06c218f1
--- /dev/null
+++ b/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.86          _              _            false
diff --git a/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..92d2e1a3
--- /dev/null
+++ b/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.07          _              _            false
diff --git a/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6a04eeab
--- /dev/null
+++ b/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.66          _              _            false
diff --git a/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a5dfc7c8
--- /dev/null
+++ b/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.88          _              _            false
diff --git a/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0ebc9057
--- /dev/null
+++ b/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Formaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.12          _              _            false
diff --git a/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..1a042936
--- /dev/null
+++ b/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.03          _              _            false
diff --git a/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..324cc7a7
--- /dev/null
+++ b/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.22          _              _            false
diff --git a/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..0a17b8c7
--- /dev/null
+++ b/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.30          _              _            false
diff --git a/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..6e0248f3
--- /dev/null
+++ b/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.04          _              _            false
diff --git a/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..64f6a34d
--- /dev/null
+++ b/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.23          _              _            false
diff --git a/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..81fb588c
--- /dev/null
+++ b/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Ketene
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.31          _              _            false
diff --git a/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..b8fb343e
--- /dev/null
+++ b/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.67          _              _            false
diff --git a/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f56c9047
--- /dev/null
+++ b/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.72          _              _            false
diff --git a/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2b3f9c92
--- /dev/null
+++ b/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.77          _              _            false
diff --git a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..9c1ae535
--- /dev/null
+++ b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.51          _              _            false
diff --git a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..2f5230e3
--- /dev/null
+++ b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.72          _              _            false
diff --git a/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..f0dc801d
--- /dev/null
+++ b/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Nitrosomethane
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.82          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..aea145d4
--- /dev/null
+++ b/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : CCCSDT-3,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    1.98          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..a1faf450
--- /dev/null
+++ b/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : CCSD(2),aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    1.73          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..3f5b3699
--- /dev/null
+++ b/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : SCS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.14          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..33264b60
--- /dev/null
+++ b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    1.85          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..61ae3b69
--- /dev/null
+++ b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-ADC(2) [TM],aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.01          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
new file mode 100644
index 00000000..51e49176
--- /dev/null
+++ b/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -0,0 +1,11 @@
+# Molecule : Thioformaldehyde
+# Comment  : 
+# code     : 
+# method   : SOS-CC2,aug-cc-pVTZ
+# geom     : 
+# set      : QUEST#1,2
+
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
+#######################  #######################  ########################################  ############# ####### ################### ##############
+# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
+  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.17          _              _            false

From 55a9fcea1e5f7cd8ff9d61de9fddc6db5fd2689c Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Tue, 6 Oct 2020 09:29:19 +0200
Subject: [PATCH 02/11] Fix format

---
 docs/examples/other/xls-addon.tex | 1 -
 1 file changed, 1 deletion(-)

diff --git a/docs/examples/other/xls-addon.tex b/docs/examples/other/xls-addon.tex
index 08f03dd6..61d7bff8 100644
--- a/docs/examples/other/xls-addon.tex
+++ b/docs/examples/other/xls-addon.tex
@@ -44,7 +44,6 @@
 	\initialState[\ce{HPS}]{^1A^\prime}
   \initialState[\ce{HSiF}]{^1A^\prime}
   
-  \format{exoticcolumn}
   \initialState[Allyl]{^2A_2}
   \initialState[\ce{BeF}]{^2\Sigma^+}
   \initialState[\ce{BeF}]{^2\Sigma^+}

From 286787c2df626e08e2e4d1e90110edcfc98d150b Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Tue, 6 Oct 2020 09:41:07 +0200
Subject: [PATCH 03/11] Update index

---
 static/data/index.yaml | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/static/data/index.yaml b/static/data/index.yaml
index 7138d26f..0a1cb02e 100644
--- a/static/data/index.yaml
+++ b/static/data/index.yaml
@@ -2,13 +2,16 @@ sets:
   QUEST#1:
     - 10.1021/acs.jctc.8b00406
     - 10.1021/acs.jpclett.9b03652
+    - null
   QUEST#2:
     - 10.1021/acs.jctc.8b01205    
   QUEST#3:
     - 10.1021/acs.jctc.9b01216
     - 10.1021/acs.jpclett.9b03652
+    - null
   QUEST#4:
     - 10.1021/acs.jctc.0c00227
+    - null
   QUEST#5:
     - null
 others:

From 39b4f085a74485d542986d91a2c1aeb24186934a Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Tue, 6 Oct 2020 13:11:19 +0200
Subject: [PATCH 04/11] Fix difluorodiazieine

---
 docs/examples/other/xls-addon.tex                |  2 +-
 .../abs/difluorodiazieine_ADC(2)_aug-cc-pVTZ.dat | 16 ----------------
 .../difluorodiazieine_ADC(2.5)_aug-cc-pVTZ.dat   | 16 ----------------
 .../abs/difluorodiazieine_ADC(3)_aug-cc-pVTZ.dat | 16 ----------------
 .../abs/difluorodiazieine_CC2_aug-cc-pVTZ.dat    | 16 ----------------
 .../abs/difluorodiazieine_CC3_aug-cc-pVTZ.dat    | 16 ----------------
 .../difluorodiazieine_CCSDR(3)_aug-cc-pVTZ.dat   | 13 -------------
 .../abs/difluorodiazieine_CCSD_aug-cc-pVTZ.dat   | 16 ----------------
 .../abs/difluorodiazieine_CIS(D)_aug-cc-pVTZ.dat | 16 ----------------
 .../difluorodiazieine_STEOM-CCSD_aug-cc-pVTZ.dat | 13 -------------
 .../abs/difluorodiazieine_TBE_aug-cc-pVTZ.dat    | 16 ----------------
 ...> difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat} |  2 +-
 ...=> difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat} |  2 +-
 ...=> difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat} |  2 +-
 ...iazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat} |  2 +-
 ...orodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat} |  2 +-
 ...=> difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat} |  2 +-
 17 files changed, 7 insertions(+), 161 deletions(-)
 delete mode 100644 static/data/abs/difluorodiazieine_ADC(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/difluorodiazieine_ADC(2.5)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/difluorodiazieine_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/difluorodiazieine_CC2_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/difluorodiazieine_CC3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/difluorodiazieine_CCSDR(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/difluorodiazieine_CCSD_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/difluorodiazieine_CIS(D)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/difluorodiazieine_STEOM-CCSD_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/difluorodiazieine_TBE_aug-cc-pVTZ.dat
 rename static/data/abs/{difluorodiazieine_CCCSDT-3_aug-cc-pVTZ.dat => difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{difluorodiazieine_CCSD(2)_aug-cc-pVTZ.dat => difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{difluorodiazieine_SCS-CC2_aug-cc-pVTZ.dat => difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{difluorodiazieine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{difluorodiazieine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat => difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{difluorodiazieine_SOS-CC2_aug-cc-pVTZ.dat => difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat} (97%)

diff --git a/docs/examples/other/xls-addon.tex b/docs/examples/other/xls-addon.tex
index 61d7bff8..c0042b30 100644
--- a/docs/examples/other/xls-addon.tex
+++ b/docs/examples/other/xls-addon.tex
@@ -196,7 +196,7 @@
 124 &                                & 3 & 13 & $^3B_1$   & 3 & R & p3s  & 98.0 &  & 5.35 & exFCI/AVTZ & Y &  & 5.53 & 5.40 & 5.64 & 5.43 & 5.42 &  &  & 5.31 & 5.71 & 5.61 & 5.54 & 5.60 & 5.50 & 5.08 & 5.29 \\
 125 &                                & 3 & 13 & $^3A_1$   & 3 & R & p3p & 98.5 &  & 6.82 & exFCI/AVTZ & Y &  & 7.37 & 7.04 & 7.14 &  & 6.85 &  &  & 6.80 & 7.02 & 7.01 & 7.04 & 6.91 & 7.09 & 6.36 & 6.73 \\
 126 &                                & 3 & 13 & $^1A^{\prime\prime}$ [F] & 1 & V & ppi & 87.4 & 0.000 & 0.71 & exFCI/AVTZ & Y &  & 1.06 & 0.90 & 0.85 & 0.88 & 0.81 & 0.73 & 0.70 & 0.68 & 0.93 & 1.01 & 0.98 & 0.74 & 0.81 & 0.24 & 0.53 \\
-127 & Difluorodiazieine & 5 & 56 & $^1B_1$ & 1 & V & npi & 93.1 & 0.002 & 3.74 & CCSDT/AVTZ & Y &  & 3.89 & 3.74 & 3.94 & 3.56 & 3.83 & 3.76 & 3.75 & 3.74 & 3.97 & 3.97 & 3.90 & 3.77 & 3.74 & 3.52 & 3.63 \\
+127 & Difluorodiazirine & 5 & 56 & $^1B_1$ & 1 & V & npi & 93.1 & 0.002 & 3.74 & CCSDT/AVTZ & Y &  & 3.89 & 3.74 & 3.94 & 3.56 & 3.83 & 3.76 & 3.75 & 3.74 & 3.97 & 3.97 & 3.90 & 3.77 & 3.74 & 3.52 & 3.63 \\
 128 &  & 5 & 56 & $^1A_2$ & 1 & V & ppi & 91.4 &  & 7.00 & CCSDT/AVTZ & Y &  & 7.46 & 7.19 & 7.24 &  & 7.10 & 7.05 & 7.02 & 7.02 & 7.29 & 7.28 & 7.25 & 7.10 & 7.19 & 6.70 & 6.95 \\
 129 &  & 5 & 56 & $^1B_2$ & 1 & V & ppi & 93.3 & 0.026 & 8.52 & CCSDT/AVTZ & Y &  & 8.53 & 8.29 & 8.90 &  & 8.69 & 8.55 & 8.55 & 8.50 & 8.95 & 8.82 & 8.65 & 8.77 & 8.42 & 8.50 & 8.46 \\
 130 &  & 5 & 56 & $^3B_1$ & 3 & V & npi & 98.2 &  & 3.03 & CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ] & Y &  & 3.17 & 3.03 & 3.17 & 2.91 & 3.07 &  &  & 3.03 & 3.32 & 3.33 & 3.23 & 3.14 & 3.01 & 2.77 & 2.89 \\
diff --git a/static/data/abs/difluorodiazieine_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_ADC(2)_aug-cc-pVTZ.dat
deleted file mode 100644
index 9b03d67e..00000000
--- a/static/data/abs/difluorodiazieine_ADC(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Difluorodiazieine
-# Comment  : 
-# code     : 
-# method   : ADC(2),aug-cc-pVTZ
-# geom     : 
-# set      : 
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.19          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.42          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.01          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.97          _              _            false
diff --git a/static/data/abs/difluorodiazieine_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_ADC(2.5)_aug-cc-pVTZ.dat
deleted file mode 100644
index 38f68fd3..00000000
--- a/static/data/abs/difluorodiazieine_ADC(2.5)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Difluorodiazieine
-# Comment  : 
-# code     : 
-# method   : ADC(2.5),aug-cc-pVTZ
-# geom     : 
-# set      : 
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.63          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.95          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.46          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    2.89          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.38          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
diff --git a/static/data/abs/difluorodiazieine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 1f7e9e6e..00000000
--- a/static/data/abs/difluorodiazieine_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Difluorodiazieine
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : 
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.52          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.70          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.50          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    2.77          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.04          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.47          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CC2_aug-cc-pVTZ.dat
deleted file mode 100644
index 63689ae1..00000000
--- a/static/data/abs/difluorodiazieine_CC2_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Difluorodiazieine
-# Comment  : 
-# code     : 
-# method   : CC2,aug-cc-pVTZ
-# geom     : 
-# set      : 
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.19          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.29          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.77          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.99          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CC3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CC3_aug-cc-pVTZ.dat
deleted file mode 100644
index 16734cd8..00000000
--- a/static/data/abs/difluorodiazieine_CC3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Difluorodiazieine
-# Comment  : 
-# code     : 
-# method   : CC3,aug-cc-pVTZ
-# geom     : 
-# set      : 
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          93.1           0.002        false
-  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.02          91.4           _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.50          93.3           0.026        false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          98.2           _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.45          98.9           _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.81          98.4           _            false
diff --git a/static/data/abs/difluorodiazieine_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CCSDR(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 7aa36415..00000000
--- a/static/data/abs/difluorodiazieine_CCSDR(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Difluorodiazieine
-# Comment  : 
-# code     : 
-# method   : CCSDR(3),aug-cc-pVTZ
-# geom     : 
-# set      : 
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.76          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.05          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.55          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CCSD_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CCSD_aug-cc-pVTZ.dat
deleted file mode 100644
index 0fb195d2..00000000
--- a/static/data/abs/difluorodiazieine_CCSD_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Difluorodiazieine
-# Comment  : 
-# code     : 
-# method   : CCSD,aug-cc-pVTZ
-# geom     : 
-# set      : 
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.83          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.10          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.69          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.07          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.40          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.84          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_CIS(D)_aug-cc-pVTZ.dat
deleted file mode 100644
index 63118ec6..00000000
--- a/static/data/abs/difluorodiazieine_CIS(D)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Difluorodiazieine
-# Comment  : 
-# code     : 
-# method   : CIS(D),aug-cc-pVTZ
-# geom     : 
-# set      : 
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.89          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.46          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.53          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.17          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.89          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.13          _              _            false
diff --git a/static/data/abs/difluorodiazieine_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_STEOM-CCSD_aug-cc-pVTZ.dat
deleted file mode 100644
index c6249447..00000000
--- a/static/data/abs/difluorodiazieine_STEOM-CCSD_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Difluorodiazieine
-# Comment  : 
-# code     : 
-# method   : STEOM-CCSD,aug-cc-pVTZ
-# geom     : 
-# set      : 
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.56          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    2.91          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.59          _              _            false
diff --git a/static/data/abs/difluorodiazieine_TBE_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazieine_TBE_aug-cc-pVTZ.dat
deleted file mode 100644
index 41c9716f..00000000
--- a/static/data/abs/difluorodiazieine_TBE_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Difluorodiazieine
-# Comment  : 
-# code     : 
-# method   : TBE,aug-cc-pVTZ
-# geom     : 
-# set      : 
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.00          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.52          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.44          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.80          _              _            false
diff --git a/static/data/abs/difluorodiazieine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/difluorodiazieine_CCCSDT-3_aug-cc-pVTZ.dat
rename to static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
index 606fe84d..02a21a96 100644
--- a/static/data/abs/difluorodiazieine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -1,4 +1,4 @@
-# Molecule : Difluorodiazieine
+# Molecule : Difluorodiazirine
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
diff --git a/static/data/abs/difluorodiazieine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/difluorodiazieine_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
index 7ad218d0..5abbce1b 100644
--- a/static/data/abs/difluorodiazieine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
@@ -1,4 +1,4 @@
-# Molecule : Difluorodiazieine
+# Molecule : Difluorodiazirine
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
diff --git a/static/data/abs/difluorodiazieine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/difluorodiazieine_SCS-CC2_aug-cc-pVTZ.dat
rename to static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
index c8d0fbd2..b26d6cf2 100644
--- a/static/data/abs/difluorodiazieine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
@@ -1,4 +1,4 @@
-# Molecule : Difluorodiazieine
+# Molecule : Difluorodiazirine
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
diff --git a/static/data/abs/difluorodiazieine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/difluorodiazieine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 6602c556..d1519482 100644
--- a/static/data/abs/difluorodiazieine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -1,4 +1,4 @@
-# Molecule : Difluorodiazieine
+# Molecule : Difluorodiazirine
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
diff --git a/static/data/abs/difluorodiazieine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/difluorodiazieine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
rename to static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index b994a097..99f6f868 100644
--- a/static/data/abs/difluorodiazieine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -1,4 +1,4 @@
-# Molecule : Difluorodiazieine
+# Molecule : Difluorodiazirine
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
diff --git a/static/data/abs/difluorodiazieine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/difluorodiazieine_SOS-CC2_aug-cc-pVTZ.dat
rename to static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
index e51cba41..525692e6 100644
--- a/static/data/abs/difluorodiazieine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
@@ -1,4 +1,4 @@
-# Molecule : Difluorodiazieine
+# Molecule : Difluorodiazirine
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ

From fd096437048d738b2f28b8f3db24eab92a40213e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Tue, 6 Oct 2020 13:12:18 +0200
Subject: [PATCH 05/11] Add missing set parameter

---
 static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat       | 2 +-
 .../abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 .../data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat       | 2 +-
 13 files changed, 13 insertions(+), 13 deletions(-)

diff --git a/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
index 4e552bbb..f0659250 100644
--- a/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : ADC(3),aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
index f3afed0a..599641ed 100644
--- a/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
index 93ef20bb..3a1c86b8 100644
--- a/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
index 058c7fd1..d2b23105 100644
--- a/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 813c4735..2ad67382 100644
--- a/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index fb4dde67..32a98375 100644
--- a/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
index 044d573b..e299a3a1 100644
--- a/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
index 02a21a96..84c393ea 100644
--- a/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
index 5abbce1b..2d0ebf75 100644
--- a/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
index b26d6cf2..d098df33 100644
--- a/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index d1519482..13f674eb 100644
--- a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 99f6f868..86524218 100644
--- a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############
diff --git a/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
index 525692e6..fce03b44 100644
--- a/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
@@ -3,7 +3,7 @@
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
 # geom     : 
-# set      : 
+# set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
 #######################  #######################  ########################################  ############# ####### ################### ##############

From 8db4922cdece60a6d22175384981591cb87cdada Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Mon, 12 Oct 2020 17:22:27 +0200
Subject: [PATCH 06/11] Fix Oscillator strength for QUEST#5 paper addon

---
 static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 .../data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat       | 4 ++--
 .../abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 .../data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat      | 4 ++--
 .../abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 .../data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat        | 4 ++--
 .../abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 4 ++--
 .../data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat     | 4 ++--
 .../abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 .../abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat       | 4 ++--
 .../abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 .../data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 .../data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat    | 4 ++--
 .../cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 4 ++--
 .../abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat        | 4 ++--
 .../abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 4 ++--
 .../data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat           | 4 ++--
 .../data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 .../data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat     | 4 ++--
 .../abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 .../abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat            | 4 ++--
 .../data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 .../data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat        | 4 ++--
 .../abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 4 ++--
 .../data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat     | 4 ++--
 .../abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 .../abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat      | 4 ++--
 .../abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 .../data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat           | 4 ++--
 .../data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat  | 4 ++--
 .../data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat | 4 ++--
 .../methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 .../abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat        | 4 ++--
 .../abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 4 ++--
 .../data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat            | 4 ++--
 .../data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat            | 4 ++--
 .../data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat            | 4 ++--
 .../data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat    | 4 ++--
 static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat     | 4 ++--
 .../abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 .../abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat           | 4 ++--
 .../data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat      | 4 ++--
 .../abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 .../data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat           | 4 ++--
 static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 .../data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat           | 4 ++--
 static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat            | 4 ++--
 static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat            | 4 ++--
 .../data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 4 ++--
 static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat            | 4 ++--
 static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat      | 4 ++--
 static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat        | 4 ++--
 static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat      | 4 ++--
 static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat       | 4 ++--
 static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat       | 4 ++--
 .../fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 .../data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat       | 4 ++--
 static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat            | 4 ++--
 static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat            | 4 ++--
 static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat        | 4 ++--
 static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat         | 4 ++--
 static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat         | 4 ++--
 .../fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 4 ++--
 static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat         | 4 ++--
 static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat        | 4 ++--
 static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat         | 4 ++--
 static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat         | 4 ++--
 .../fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 4 ++--
 static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat         | 4 ++--
 static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat              | 4 ++--
 static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat      | 4 ++--
 static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat       | 4 ++--
 static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat       | 4 ++--
 .../fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 .../data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat       | 4 ++--
 static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat    | 4 ++--
 static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat     | 4 ++--
 static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat     | 4 ++--
 .../fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 .../fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat     | 4 ++--
 433 files changed, 866 insertions(+), 866 deletions(-)

diff --git a/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index 6b63dbf0..cd0b07f1 100644
--- a/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.32          _              _            false
diff --git a/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index 5b476de4..3a7e60a5 100644
--- a/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.31          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.92          _              _            false
diff --git a/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index c4dcaeaf..62428352 100644
--- a/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.50          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.13          _              _            false
diff --git a/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 4e5cd0d4..5b64968f 100644
--- a/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.18          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.89          _              _            false
diff --git a/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 04a99add..5eeeb198 100644
--- a/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.39          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.07          _              _            false
diff --git a/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index 2564f59f..dbeb644f 100644
--- a/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.54          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.20          _              _            false
diff --git a/static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat
index c866b716..80a5366d 100644
--- a/static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.50          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.91          _              _            false
diff --git a/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
index 761256a7..b71f39dc 100644
--- a/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.49          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.50          _              _            false
diff --git a/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat
index 965db0fb..8b2f74ab 100644
--- a/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.52          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.60          _              _            false
diff --git a/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat
index ae9cb0d4..3b984bf4 100644
--- a/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.64          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.37          _              _            false
diff --git a/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 3da83a14..27da7efd 100644
--- a/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.31          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.34          _              _            false
diff --git a/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index b7479289..f7a56d12 100644
--- a/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.52          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.64          _              _            false
diff --git a/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat
index ca650785..f63558e7 100644
--- a/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.68          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.59          _              _            false
diff --git a/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
index 5ecdea7d..0495dd61 100644
--- a/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.09          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.42          _              _            false
diff --git a/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat
index 2d9cb586..6d9b140e 100644
--- a/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.10          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.44          _              _            false
diff --git a/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat
index 88f241a2..7dae36c1 100644
--- a/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.30          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.58          _              _            false
diff --git a/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 0724fd64..de4da031 100644
--- a/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.20          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.45          _              _            false
diff --git a/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 4f70e87d..73f71549 100644
--- a/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.30          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.55          _              _            false
diff --git a/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat
index 6474a11e..9b40994a 100644
--- a/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  7.33          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.58          _              _            false
diff --git a/static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat
index d9dbdb40..018a4c1c 100644
--- a/static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.76          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.51          _              _            false
diff --git a/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
index 6674812f..2d2669ab 100644
--- a/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.78          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.71          _              _            false
diff --git a/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat
index 017fb3c3..fe7121e9 100644
--- a/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.88          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.85          _              _            false
diff --git a/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat
index 35d04d1b..269afab4 100644
--- a/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.03          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.98          _              _            false
diff --git a/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 7886e34a..88ba48ef 100644
--- a/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.73          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.64          _              _            false
diff --git a/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 92d113be..cac4e734 100644
--- a/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.95          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.82          _              _            false
diff --git a/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat
index f4034948..24ab2d0d 100644
--- a/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.11          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.88          _              _            false
diff --git a/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
index 5c1396fe..6721c6ac 100644
--- a/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.58          _              _            false
   1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         8.15          _              _            false
diff --git a/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat
index fbe3c808..81205435 100644
--- a/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.57          _              _            false
   1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         8.14          _              _            false
diff --git a/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat
index 3401a89f..a1e694cc 100644
--- a/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.49          _              _            false
   1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         7.98          _              _            false
diff --git a/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 71456332..c8048ecf 100644
--- a/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.42          _              _            false
   1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         7.93          _              _            false
diff --git a/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 3115d9bb..69453801 100644
--- a/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.56          _              _            false
   1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         8.07          _              _            false
diff --git a/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat
index 1e5a7d8b..096e9d76 100644
--- a/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           6.54          _              _            false
   1       1     A_1        1       1     E            (\mathrm{R};\pi \rightarrow 3p)         8.05          _              _            false
diff --git a/static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat
index 35f79b82..b0949b4e 100644
--- a/static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.01          _              _            false
   1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.24          _              _            false
diff --git a/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
index 3b6a92af..cd7440e5 100644
--- a/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.11          _              _            false
   1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.45          _              _            false
diff --git a/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat
index 45521d68..25de25c0 100644
--- a/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.43          _              _            false
   1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.64          _              _            false
diff --git a/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat
index 25385ce9..920d8e80 100644
--- a/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.10          _              _            false
   1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.39          _              _            false
diff --git a/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 798addf5..ef7681f9 100644
--- a/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.81          _              _            false
   1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.16          _              _            false
diff --git a/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 03a04e19..68d3c2d4 100644
--- a/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.03          _              _            false
   1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.31          _              _            false
diff --git a/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat
index b0c19f26..8d20a593 100644
--- a/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.02          _              _            false
   1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.35          _              _            false
diff --git a/static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat
index 3b04611f..88360b7c 100644
--- a/static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.02          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.12          _              _            false
diff --git a/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
index 250d6aad..7534d5d5 100644
--- a/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.24          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.34          _              _            false
diff --git a/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat
index 29e8db1f..0ff002b2 100644
--- a/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.24          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.44          _              _            false
diff --git a/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat
index e56d0699..d1500f36 100644
--- a/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.28          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.41          _              _            false
diff --git a/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 676fee7b..ef95ccd6 100644
--- a/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.16          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.44          _              _            false
diff --git a/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 0a099f2c..c7e26c2f 100644
--- a/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.30          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.54          _              _            false
diff --git a/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat
index 81de37b0..c0fa140c 100644
--- a/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.34          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.49          _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
index 00659f55..44dbbca0 100644
--- a/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.51          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.98          _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
index 11d12e90..4967de82 100644
--- a/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.63          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.94          _              _            false
diff --git a/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat
index 3c6269c1..8791d288 100644
--- a/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.67          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.26         _              _            false
diff --git a/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 947046d2..020fd3bc 100644
--- a/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.59          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.84          _              _            false
diff --git a/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 09d74250..985e99b1 100644
--- a/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.75          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.01         _              _            false
diff --git a/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat
index e1d7730a..18541594 100644
--- a/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.68          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.24         _              _            false
diff --git a/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
index b7902125..6f4bc070 100644
--- a/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.32          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
index 600543e1..e5a855a5 100644
--- a/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.39          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.08          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat
index 2b7f40dc..3715c608 100644
--- a/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.47          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.21          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 728ad375..8203cdd0 100644
--- a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.04          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.81          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index a25a5f22..f4957654 100644
--- a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.27          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.05          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat
index 7ef56630..9b903c64 100644
--- a/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.48          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.24          _              _            false
diff --git a/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
index da64e9cc..efff80ee 100644
--- a/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.41          _              _            false
diff --git a/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
index ec6cd158..081bfdff 100644
--- a/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.36          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.27          _              _            false
diff --git a/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
index 039d04ac..85445aa2 100644
--- a/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.64          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.50          _              _            false
diff --git a/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 2537b13b..954fdbc4 100644
--- a/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
diff --git a/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index a3c68c7d..cab15d05 100644
--- a/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.58          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.50          _              _            false
diff --git a/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
index 222038b9..49804f05 100644
--- a/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.67          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.61          _              _            false
diff --git a/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat
index 0c959a40..2f735f8c 100644
--- a/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.56          _              _            false
diff --git a/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat
index 70b760e1..4a8844dc 100644
--- a/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.34          _              _            false
diff --git a/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat
index 49d00f30..82052a50 100644
--- a/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.61          _              _            false
diff --git a/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index ccf47bd3..33cb1c8c 100644
--- a/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.39          _              _            false
diff --git a/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 5db46c81..1153a502 100644
--- a/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.54          _              _            false
diff --git a/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat
index b75a6be8..043ace02 100644
--- a/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.63          _              _            false
diff --git a/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
index 47950cad..f55282de 100644
--- a/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.08          _              _            false
diff --git a/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
index 8f1a61b1..d30ff1f7 100644
--- a/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.90          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.47          _              _            false
diff --git a/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
index 3763235b..b30c4f89 100644
--- a/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.13          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.79          _              _            false
diff --git a/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index aeaf6e68..f91a3cc0 100644
--- a/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.89          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.64          _              _            false
diff --git a/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 7a533da6..f05540b1 100644
--- a/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.05          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.74          _              _            false
diff --git a/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
index 103a06f8..0fb090fa 100644
--- a/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.15          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.84          _              _            false
diff --git a/static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
index 931cead9..c1ce50fe 100644
--- a/static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
diff --git a/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
index 32233d48..8bf6f97e 100644
--- a/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.81          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.09          _              _            false
diff --git a/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
index a391c023..9f6420e3 100644
--- a/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  6.02          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.29          _              _            false
diff --git a/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
index e8a51bdd..7a87acd1 100644
--- a/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  6.14          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.36          _              _            false
diff --git a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 03ff1548..939c250c 100644
--- a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  6.01          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.18          _              _            false
diff --git a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 7e5c9467..71e63885 100644
--- a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  6.15          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.33          _              _            false
diff --git a/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
index 3a25ae61..3f4914d9 100644
--- a/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  6.20          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  6.38          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat
index 10b9d25b..48ed742e 100644
--- a/static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.77          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.07          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index d3a55b46..37a0df9b 100644
--- a/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.86          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.47          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index 0ab21365..1c153838 100644
--- a/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.97          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.85          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index b13e1d08..89f0852d 100644
--- a/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.10          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.90          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 1596167d..4377caac 100644
--- a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.82          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.77          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 4704f244..18be6943 100644
--- a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.03          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.95          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index b92e7e57..d7ba9b47 100644
--- a/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.16          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.98          _              _            false
diff --git a/static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat
index 4e271a39..e0b47ba7 100644
--- a/static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.88          _              _            false
   1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.16          _              _            false
diff --git a/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
index ce7212a6..8c14e4b6 100644
--- a/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.40          _              _            false
   1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.68          _              _            false
diff --git a/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
index 8580808c..48d7d0c9 100644
--- a/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.73          _              _            false
   1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.00          _              _            false
diff --git a/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
index 6617e477..27fa5e08 100644
--- a/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.83          _              _            false
   1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.06          _              _            false
diff --git a/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 1fd8e4be..b818101c 100644
--- a/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.67          _              _            false
   1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.85          _              _            false
diff --git a/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 77205571..0ab3426c 100644
--- a/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.82          _              _            false
   1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.01          _              _            false
diff --git a/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
index 67719a2d..0e842a62 100644
--- a/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  6.88          _              _            false
   1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  7.08          _              _            false
diff --git a/static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat
index b3ae2157..afa64232 100644
--- a/static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.35          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.63          _              _            false
diff --git a/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
index d44031fc..bc45c484 100644
--- a/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.56          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.78          _              _            false
diff --git a/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
index 62ea51d5..77cfa67b 100644
--- a/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.95          _              _            false
diff --git a/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
index b98c500a..444e8ba4 100644
--- a/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.63          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.83          _              _            false
diff --git a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 25e53350..4c71a117 100644
--- a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.49          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.84          _              _            false
diff --git a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 28e2e662..6d8200b7 100644
--- a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.95          _              _            false
diff --git a/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
index 48dea51f..d2a31c06 100644
--- a/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.68          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.91          _              _            false
diff --git a/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
index 6c60d57a..8cd6a120 100644
--- a/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.70          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.76          _              _            false
diff --git a/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
index ccabbda6..9d350545 100644
--- a/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.73          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.76          _              _            false
diff --git a/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
index 286034a5..84ee8896 100644
--- a/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.86          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.94          _              _            false
diff --git a/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 8293f2eb..1a231a12 100644
--- a/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.79          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.86          _              _            false
diff --git a/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 36eb67f9..ac721991 100644
--- a/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.94          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.98          _              _            false
diff --git a/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
index 0fb9d7ca..0fa457ae 100644
--- a/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.92          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.01          _              _            false
diff --git a/static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat
index 65ab257a..6d7d694a 100644
--- a/static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.46          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.82          _              _            false
diff --git a/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
index 2e9d7d56..ad89c77a 100644
--- a/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.46          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.56          _              _            false
diff --git a/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
index fba8f829..591e3c27 100644
--- a/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.37          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.63          _              _            false
diff --git a/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
index 66cc6606..60290e98 100644
--- a/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.57          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.88          _              _            false
diff --git a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index a9d244f1..45beb66a 100644
--- a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.28          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.73          _              _            false
diff --git a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 49847f0a..fc412efc 100644
--- a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.46          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.93          _              _            false
diff --git a/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
index 2f6d2938..43dd4beb 100644
--- a/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.59          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.07          _              _            false
diff --git a/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat
index 1e6eb1ac..da66af79 100644
--- a/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.66          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.61          _              _            false
diff --git a/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
index 3665c3eb..6f8ff460 100644
--- a/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.31          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.59          _              _            false
diff --git a/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
index 9165b62e..a90fb40f 100644
--- a/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.49          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.71          _              _            false
diff --git a/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
index 5b7feb1f..d9afb275 100644
--- a/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.38          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.75          _              _            false
diff --git a/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index e0939642..f4a9fc64 100644
--- a/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.21          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.42          _              _            false
diff --git a/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 71e8a7c6..8b5e48ab 100644
--- a/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.45          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.64          _              _            false
diff --git a/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
index 5b361235..929c1b9f 100644
--- a/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.56          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.79          _              _            false
diff --git a/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
index f0659250..db20c638 100644
--- a/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.95          _              _            false
   1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
diff --git a/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
index 599641ed..54f65998 100644
--- a/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.35          _              _            false
   1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.62          _              _            false
diff --git a/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
index 3a1c86b8..1a4dd0c5 100644
--- a/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.50          _              _            false
   1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.75          _              _            false
diff --git a/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
index d2b23105..0fcf9250 100644
--- a/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
   1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
diff --git a/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 2ad67382..8f7ae7b8 100644
--- a/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.53          _              _            false
   1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.69          _              _            false
diff --git a/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 32a98375..094b5524 100644
--- a/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.66          _              _            false
   1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
diff --git a/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
index e299a3a1..f238e9f9 100644
--- a/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.70          _              _            false
   1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.87          _              _            false
diff --git a/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
index 42828616..f66616d6 100644
--- a/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.10          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.47          _              _            false
diff --git a/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
index e3ed7003..eae7a349 100644
--- a/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.37          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.80          _              _            false
diff --git a/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
index 41dba793..ac3fc3f6 100644
--- a/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.38          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.65          _              _            false
diff --git a/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index ab662cf9..9dfc1f67 100644
--- a/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.17          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.70          _              _            false
diff --git a/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index b205be10..2fc58d84 100644
--- a/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.36          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.81          _              _            false
diff --git a/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
index b2e1bc17..32de0b41 100644
--- a/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.38          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.71          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
index 84c393ea..17c87ac7 100644
--- a/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.75          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.02          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
index 2d0ebf75..5fd655d9 100644
--- a/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.94          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.24          _              _            false
diff --git a/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
index d098df33..24cb5ea6 100644
--- a/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.90          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.25          _              _            false
diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 13f674eb..becd1e67 100644
--- a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.77          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.10          _              _            false
diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 86524218..e9d753cd 100644
--- a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.97          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.29          _              _            false
diff --git a/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
index fce03b44..a78e4614 100644
--- a/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.97          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.28          _              _            false
diff --git a/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
index 3f9c7105..6fdd7f52 100644
--- a/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.35          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.89          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
index 20b77c30..9b08cfdc 100644
--- a/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.59          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.11         _              _            false
diff --git a/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
index b36bd7c5..371dcaa7 100644
--- a/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.48          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
diff --git a/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index e25fe3cd..7bf0781d 100644
--- a/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.36          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.12         _              _            false
diff --git a/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index ed556489..5bceb079 100644
--- a/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.55          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.24         _              _            false
diff --git a/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
index 33edb349..352abb5a 100644
--- a/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.51          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
diff --git a/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
index c3e2f223..46e30216 100644
--- a/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.36          _              _            false
   1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.92          _              _            false
diff --git a/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat
index f7e2701e..dbd469a0 100644
--- a/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
   1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.88          _              _            false
diff --git a/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat
index dff47a3a..24042430 100644
--- a/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
   1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.98          _              _            false
diff --git a/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 5371c3e8..744b1bf0 100644
--- a/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
   1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.88          _              _            false
diff --git a/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8191e853..8c5af90e 100644
--- a/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.48          _              _            false
   1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  7.98          _              _            false
diff --git a/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat
index 34e4b5ab..a26aec7e 100644
--- a/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.44          _              _            false
   1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  8.00          _              _            false
diff --git a/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index e7af5c45..9f61074c 100644
--- a/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.98          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.21          _              _            false
diff --git a/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index 17aa64a7..f78b374f 100644
--- a/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.93          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.19          _              _            false
diff --git a/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index bc8102ea..5461b474 100644
--- a/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.17          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.93          _              _            false
diff --git a/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 7ecbe4d5..36b53955 100644
--- a/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.90          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.88          _              _            false
diff --git a/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8e1e5742..9015129c 100644
--- a/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.09          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.06          _              _            false
diff --git a/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index 25733929..76a9378a 100644
--- a/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.22          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.11          _              _            false
diff --git a/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat
index c7734a63..39c1671c 100644
--- a/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.67          _              _            false
diff --git a/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat
index d582c141..db86c003 100644
--- a/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.66          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.35          _              _            false
diff --git a/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat
index d9110316..390b2698 100644
--- a/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.77          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.50          _              _            false
diff --git a/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index c2627a7c..f8c11be2 100644
--- a/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.39          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.19          _              _            false
diff --git a/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 41fb9652..3586db3e 100644
--- a/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.61          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.39          _              _            false
diff --git a/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat
index 45b01b58..4f1a2211 100644
--- a/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.81          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.57          _              _            false
diff --git a/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
index 2ae5d70c..d631e4c4 100644
--- a/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.00          _              _            false
diff --git a/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
index db93917b..b70bf2aa 100644
--- a/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.00          _              _            false
   1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.60          _              _            false
diff --git a/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat
index cbd02704..dd13b363 100644
--- a/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.17          _              _            false
   1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.80          _              _            false
diff --git a/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index a9c2b04e..cfc466e2 100644
--- a/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.78          _              _            false
   1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.48          _              _            false
diff --git a/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 25427f9d..33fc49d5 100644
--- a/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.99          _              _            false
   1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.67          _              _            false
diff --git a/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
index 53e0e0f7..d57c2e4c 100644
--- a/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.19          _              _            false
   1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.85          _              _            false
diff --git a/static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat
index 8ab696c1..cb80cf5f 100644
--- a/static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.95          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.15          _              _            false
diff --git a/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
index 579d39e3..3e472d33 100644
--- a/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.09          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.37          _              _            false
diff --git a/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat
index 32f359fe..643bd1e5 100644
--- a/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.33          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.67          _              _            false
diff --git a/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat
index bb1e59c2..451ff580 100644
--- a/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.17          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.50          _              _            false
diff --git a/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 41f7901f..c2e57751 100644
--- a/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.18          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.38          _              _            false
diff --git a/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index f4b2bcbe..7210945d 100644
--- a/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.28          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.54          _              _            false
diff --git a/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat
index f3a330f2..968dcd73 100644
--- a/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.22          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.52          _              _            false
diff --git a/static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat
index 51df5f7c..313418e2 100644
--- a/static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.83          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.23          _              _            false
diff --git a/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
index 8b4ce8c2..6ddfa42d 100644
--- a/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.91          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.30          _              _            false
diff --git a/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat
index 87142244..ab66f511 100644
--- a/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.05          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.41          _              _            false
diff --git a/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat
index 82b842d7..0d838db6 100644
--- a/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.11          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.57          _              _            false
diff --git a/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index a48afdfc..1644f9fb 100644
--- a/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.91          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.27          _              _            false
diff --git a/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 0a652260..f5b33d46 100644
--- a/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.13          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.49          _              _            false
diff --git a/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat
index ab994306..c0357fb3 100644
--- a/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.21          _              _            false
   1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.63          _              _            false
diff --git a/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
index a35a9eb6..4900023c 100644
--- a/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         1.98          _              _            false
diff --git a/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat
index f38d7902..57ff8b99 100644
--- a/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         1.65          _              _            false
diff --git a/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat
index 752aa0e4..584ee000 100644
--- a/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.01          _              _            false
diff --git a/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 633abc20..c8328f75 100644
--- a/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         1.88          _              _            false
diff --git a/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index ddadf7ec..4b70a95c 100644
--- a/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.01          _              _            false
diff --git a/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat
index 81af5e19..a89f2aa8 100644
--- a/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.06          _              _            false
diff --git a/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
index 80ec28f5..fa93a40a 100644
--- a/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.50          _              _            false
diff --git a/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat
index df075b20..3408b381 100644
--- a/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.19          _              _            false
diff --git a/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat
index 46526fe2..03c2072f 100644
--- a/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.53          _              _            false
diff --git a/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 9f4f86fa..b140bc94 100644
--- a/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.38          _              _            false
diff --git a/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 7e50a951..ba2434ac 100644
--- a/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.51          _              _            false
diff --git a/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat
index 57c35a62..d2ef4eab 100644
--- a/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.58          _              _            false
diff --git a/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
index 506f35dd..e0162fb1 100644
--- a/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.84          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.14          _              _            false
diff --git a/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat
index 5ac4c788..a3d90aea 100644
--- a/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.83          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.12          _              _            false
diff --git a/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat
index 3caab955..b0dd9f31 100644
--- a/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.07          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          _              _            false
diff --git a/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 734a4bfc..eca1c524 100644
--- a/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.91          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.12          _              _            false
diff --git a/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index bc74d1e7..fd4d8483 100644
--- a/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.02          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.23          _              _            false
diff --git a/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat
index 7febc498..155908da 100644
--- a/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.07          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.29          _              _            false
diff --git a/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
index c5093144..97c761d7 100644
--- a/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.48          _              _            false
diff --git a/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat
index fd083bb0..1df6adc5 100644
--- a/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.44          _              _            false
diff --git a/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat
index e010a9aa..eac4b29d 100644
--- a/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.62          _              _            false
diff --git a/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 914aecf0..e24923a8 100644
--- a/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.39          _              _            false
diff --git a/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 2f22d539..8408c5e2 100644
--- a/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.57          _              _            false
diff --git a/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat
index cea7c733..3cdeb011 100644
--- a/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.68          _              _            false
diff --git a/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
index f4f0bec8..e914424e 100644
--- a/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.60          _              _            false
diff --git a/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat
index 243c8f7c..1f30e807 100644
--- a/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.39          _              _            false
diff --git a/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat
index 5fc05af3..ad44cc09 100644
--- a/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.75          _              _            false
diff --git a/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 6e09fb9a..aae18976 100644
--- a/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.60          _              _            false
diff --git a/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index aa0ad0df..f00e5f65 100644
--- a/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.74          _              _            false
diff --git a/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat
index 79af846b..69b73fc2 100644
--- a/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.79          _              _            false
diff --git a/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
index 7eaf9dee..343eb5d9 100644
--- a/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
index ac9ea7a6..c015a7b9 100644
--- a/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.78          _              _            false
diff --git a/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
index ad59d707..26ff7b3d 100644
--- a/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.21          _              _            false
diff --git a/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 4159e615..ccd4928f 100644
--- a/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.12          _              _            false
diff --git a/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 312d82c1..c830eeba 100644
--- a/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.22          _              _            false
diff --git a/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
index 8310a141..911327f7 100644
--- a/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.24          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
index 3466ae41..acbd835a 100644
--- a/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.85          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
index 87fe4f51..6979b5ed 100644
--- a/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.73          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat
index a93be4fc..2569818d 100644
--- a/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.97          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index c16a8e79..095acef9 100644
--- a/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.87          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8b5f9beb..65c87404 100644
--- a/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.98          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat
index ca2198b4..90cff58d 100644
--- a/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.98          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
index e90b44d6..4153db19 100644
--- a/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.23          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.28          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
index b59c0d25..a5e33ead 100644
--- a/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.00          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.14          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat
index f55e1327..123b0b98 100644
--- a/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.31          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.35          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 34fa1355..c226a174 100644
--- a/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.20          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.30          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index dd9aed40..288d6f6b 100644
--- a/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.30          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.39          _              _            false
diff --git a/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat
index 895345fc..41489df5 100644
--- a/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.28          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.37          _              _            false
diff --git a/static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat
index 419818be..2b55d262 100644
--- a/static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.61          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.31          _              _            false
diff --git a/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat
index 1243ec79..e7454e0c 100644
--- a/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.72          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.46          _              _            false
diff --git a/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat
index a72448ab..b421f0b8 100644
--- a/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         6.00          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.80          _              _            false
diff --git a/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat
index 3afa8c38..9bdbd00f 100644
--- a/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.83          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.53          _              _            false
diff --git a/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 00e644bc..f5f4f724 100644
--- a/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.84          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.37          _              _            false
diff --git a/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index ec15404d..efbcd238 100644
--- a/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.95          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.56          _              _            false
diff --git a/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat
index 3874a8ec..dcda0b86 100644
--- a/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.90          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.55          _              _            false
diff --git a/static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat
index 32469225..df995f04 100644
--- a/static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.33          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.82          _              _            false
diff --git a/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
index 0161e78a..b2e8d65b 100644
--- a/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.47          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.01          _              _            false
diff --git a/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat
index e5b980f8..f3cdd93f 100644
--- a/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.56          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.06          _              _            false
diff --git a/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat
index 6bd58567..48b3d05c 100644
--- a/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.58          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.11          _              _            false
diff --git a/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 20d2771d..6dde75a5 100644
--- a/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.62          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.07          _              _            false
diff --git a/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index d867affb..740029fe 100644
--- a/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.73          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.19          _              _            false
diff --git a/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat
index 7306196a..5819d004 100644
--- a/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.69          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.18          _              _            false
diff --git a/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat
index ae6bd405..093d6f05 100644
--- a/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.90          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           5.99          _              _            false
diff --git a/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat
index bd209d97..40312895 100644
--- a/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.05          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           6.21          _              _            false
diff --git a/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat
index 2fc9315b..37bde5c4 100644
--- a/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.15          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           5.09          _              _            false
diff --git a/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index cdf76f67..ac624170 100644
--- a/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.91          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           6.13          _              _            false
diff --git a/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 41468c0b..51370d75 100644
--- a/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.09          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           6.25          _              _            false
diff --git a/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat
index d5212050..1e5cf01f 100644
--- a/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.14          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           6.16          _              _            false
diff --git a/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat
index d1c198c7..0b5e7175 100644
--- a/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.22          _              _            false
diff --git a/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat
index ed4a4946..120eed27 100644
--- a/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.15          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.52          _              _            false
diff --git a/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat
index 2fe15b42..c7917a9c 100644
--- a/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.43          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.81          _              _            false
diff --git a/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index ac3895d9..234b52d1 100644
--- a/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.28          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.72          _              _            false
diff --git a/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8c1c57c0..dce850bf 100644
--- a/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.45          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.87          _              _            false
diff --git a/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat
index ef0f28ff..48927747 100644
--- a/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.48          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.90          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat
index 306a92a3..f87af8ee 100644
--- a/static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.18          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.26          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
index 209c699c..2a35a2b7 100644
--- a/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.38          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.45          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
index db9e9185..e26cc8b5 100644
--- a/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.54          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.54          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat
index 65ce8b30..e78bacc8 100644
--- a/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.74          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.51          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 6d903e96..e91dabfc 100644
--- a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.61          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.50          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 66f2b1a2..a5eee40e 100644
--- a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.79          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.60          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat
index 85793aef..105ef8dd 100644
--- a/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.86          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.59          _              _            false
diff --git a/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
index 27ba7df0..357c995c 100644
--- a/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.96          _              _            false
   1       1     A^\prime   2       1     A^\prime     (\mathrm{V};double)                     6.02          _              _            false
diff --git a/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
index 24415d47..1672a8c9 100644
--- a/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.01          _              _            false
   1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.49          _              _            false
diff --git a/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
index 8fa69912..27dc9420 100644
--- a/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.07          _              _            false
   1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.25          _              _            false
diff --git a/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index d021d67c..387e6373 100644
--- a/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.83          _              _            false
   1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.29          _              _            false
diff --git a/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 6a854918..c5df9be6 100644
--- a/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.04          _              _            false
   1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.48          _              _            false
diff --git a/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
index 51d295b5..5a2eff3d 100644
--- a/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.12          _              _            false
   1       1     A^\prime   3       1     A^\prime     (\mathrm{R};\pi \rightarrow 3p)         6.45          _              _            false
diff --git a/static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat
index 49e6c450..3a025d05 100644
--- a/static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.81          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.20          _              _            false
diff --git a/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
index 5f62d025..28985e20 100644
--- a/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.85          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.55          _              _            false
diff --git a/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat
index 28dbed2c..f67e69f8 100644
--- a/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.95          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.79          _              _            false
diff --git a/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat
index 1cdcad53..723d74f2 100644
--- a/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.09          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.86          _              _            false
diff --git a/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 5a994058..de6fdb31 100644
--- a/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.78          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.77          _              _            false
diff --git a/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 88155cb4..15be9979 100644
--- a/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.00          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.93          _              _            false
diff --git a/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat
index 490317a8..00afeff7 100644
--- a/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.16          _              _            false
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.93          _              _            false
diff --git a/static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat
index 78d9d236..76b5a241 100644
--- a/static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.13          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.21          _              _            false
diff --git a/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
index eb31beb3..d84c27ba 100644
--- a/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.20          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.06          _              _            false
diff --git a/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat
index 69df78a5..6adeebb5 100644
--- a/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.58          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.40          _              _            false
diff --git a/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat
index 1f8c34c0..0c1e5704 100644
--- a/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.34          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.14          _              _            false
diff --git a/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index e77f82e8..d66724c2 100644
--- a/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.24          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.07          _              _            false
diff --git a/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index cc46eb43..ee02b6da 100644
--- a/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.46          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.31          _              _            false
diff --git a/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat
index 74699118..28d2da6a 100644
--- a/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.44          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.28          _              _            false
diff --git a/static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat
index 16e1dac8..89ca3793 100644
--- a/static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.86          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.60          _              _            false
diff --git a/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
index 25c6dabd..437247c0 100644
--- a/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.89          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.47          _              _            false
diff --git a/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat
index 9c1085e3..7341ccc7 100644
--- a/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.28          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.85          _              _            false
diff --git a/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat
index b469a995..aa42e95d 100644
--- a/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.01          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.54          _              _            false
diff --git a/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 1323d1d3..53e826a4 100644
--- a/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.90          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.46          _              _            false
diff --git a/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index c3545f8a..ce3e3c0b 100644
--- a/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.14          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.71          _              _            false
diff --git a/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat
index 871811f9..56a7486c 100644
--- a/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.12          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.68          _              _            false
diff --git a/static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat
index f9d030f2..7a0d8f05 100644
--- a/static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.99          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.08          _              _            false
diff --git a/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
index 0ca28f4e..d09cf8cf 100644
--- a/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.03          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.20          _              _            false
diff --git a/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat
index 643f3e56..9384f6be 100644
--- a/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.36          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.57          _              _            false
diff --git a/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat
index d89b7552..1e88fcf0 100644
--- a/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.20          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.17          _              _            false
diff --git a/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index dfe557e2..03c10746 100644
--- a/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.09          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.87          _              _            false
diff --git a/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 1d54912e..621a9687 100644
--- a/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.31          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.10          _              _            false
diff --git a/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat
index c9c1db25..0db021b5 100644
--- a/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    5.30          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.09          _              _            false
diff --git a/static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat
index 1b1d2fdf..82bbfac2 100644
--- a/static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.54          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.06          _              _            false
diff --git a/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
index c972af1c..39bb73a0 100644
--- a/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.51          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.94          _              _            false
diff --git a/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
index fb8fb0a3..deaa01eb 100644
--- a/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.85          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.21          _              _            false
diff --git a/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat
index c649b732..6cbb518b 100644
--- a/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.64          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.99          _              _            false
diff --git a/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 13bb5412..0b6ad422 100644
--- a/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.50          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.83          _              _            false
diff --git a/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 42dc7fdb..53b53380 100644
--- a/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.74          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.08          _              _            false
diff --git a/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat
index bab9a04a..cf13951a 100644
--- a/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.75          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.10          _              _            false
diff --git a/static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat
index ce50e2a4..0f6bf963 100644
--- a/static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.14          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.89          _              _            false
diff --git a/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
index 5d73bf3c..f68f6b1b 100644
--- a/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.26          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.00          _              _            false
diff --git a/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat
index 67eb5ccc..65d2c603 100644
--- a/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.54          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.23          _              _            false
diff --git a/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat
index 777a0829..9a05f30d 100644
--- a/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.36          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.01          _              _            false
diff --git a/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 32ee7698..bda3925d 100644
--- a/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.37          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.98          _              _            false
diff --git a/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 2441025f..17d1c017 100644
--- a/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.49          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.10          _              _            false
diff --git a/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat
index e93854fd..37389d08 100644
--- a/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.43          _              _            false
   1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.06          _              _            false
diff --git a/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
index ff33cbbf..bf19c2fd 100644
--- a/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
diff --git a/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
index 817d9d9d..c4065f80 100644
--- a/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.70          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.18          _              _            false
diff --git a/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
index 0a0b899b..0eb5968a 100644
--- a/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.02          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          _              _            false
diff --git a/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index e48f760f..c8e58756 100644
--- a/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.89          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
diff --git a/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 4ddddaee..8de2cfed 100644
--- a/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.01          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.51          _              _            false
diff --git a/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
index 9352f488..57f69b6b 100644
--- a/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.04          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
diff --git a/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
index 989922e9..27344dd7 100644
--- a/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.17          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.80          _              _            false
diff --git a/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat
index 56ceda8e..e0900410 100644
--- a/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.09          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.66          _              _            false
diff --git a/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat
index d60bada1..664b51ca 100644
--- a/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.35          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.91          _              _            false
diff --git a/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index c3779a81..485b7583 100644
--- a/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.24          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.87          _              _            false
diff --git a/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index fdb02e1c..fcede20e 100644
--- a/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.35          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.98          _              _            false
diff --git a/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat
index d3d03647..74f34d27 100644
--- a/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#4,1
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.35          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.94          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
index 592a5c0d..47c2cbb6 100644
--- a/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.16          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
index e10a12d9..5d1b8746 100644
--- a/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.12          _              _            false
   1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.48          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat
index d8fb8258..0142ee68 100644
--- a/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.20          _              _            false
   1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.69          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 82fc5461..833616c2 100644
--- a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.81          _              _            false
   1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.54          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index ee928381..d8862ae5 100644
--- a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.03          _              _            false
   1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.70          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat
index cde953aa..7ff3c64f 100644
--- a/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.20          _              _            false
   1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.73          _              _            false
diff --git a/static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat
index 995851a5..8c9f6cfb 100644
--- a/static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.42          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.87          _              _            false
diff --git a/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
index ce2e292d..b8e385ee 100644
--- a/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.52          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.78          _              _            false
diff --git a/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat
index cf8aa190..6d82773b 100644
--- a/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    3.01          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    4.22          _              _            false
diff --git a/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat
index 32770ca2..43f75d25 100644
--- a/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.60          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.84          _              _            false
diff --git a/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 83b26636..a1dcf0a2 100644
--- a/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.50          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.80          _              _            false
diff --git a/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index aded6e86..fe90864d 100644
--- a/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.75          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    4.06          _              _            false
diff --git a/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat
index 4f795f88..a65312ce 100644
--- a/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.71          _              _            false
   1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    4.01          _              _            false
diff --git a/static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat
index 1cacd557..063d1e4e 100644
--- a/static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.50          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.65          _              _            false
diff --git a/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
index f1aa1d63..e78e401c 100644
--- a/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.57          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.61          _              _            false
diff --git a/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat
index a541384b..4ed4e5a3 100644
--- a/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.41          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.53          _              _            false
diff --git a/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat
index 38bcc37b..6d7cfb42 100644
--- a/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.68          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.74          _              _            false
diff --git a/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index fe06cd12..d1a71f0a 100644
--- a/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.38          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.69          _              _            false
diff --git a/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 55c05101..b002402d 100644
--- a/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.56          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.80          _              _            false
diff --git a/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat
index a5ef6506..ab7b0f9f 100644
--- a/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.70          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.85          _              _            false
diff --git a/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index cbcb7f84..4ac78dfb 100644
--- a/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.24          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.94          _              _            false
diff --git a/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index 88e403f8..bd5bd53c 100644
--- a/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.00          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.80          _              _            false
diff --git a/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index d6e05032..a74c52e4 100644
--- a/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.39          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.00          _              _            false
diff --git a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index be93e3f8..fda5ed1b 100644
--- a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.16          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.95          _              _            false
diff --git a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 2f7f14a5..7e13bbd4 100644
--- a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.32          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.06          _              _            false
diff --git a/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index ad8ee755..c1cd1e91 100644
--- a/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.42          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.09          _              _            false
diff --git a/static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat
index e8fcd7b9..f8d25c3f 100644
--- a/static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.61          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.79          _              _            false
diff --git a/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
index 91b3a1ee..92d45556 100644
--- a/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.69          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.99          _              _            false
diff --git a/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat
index f70fc0ac..699e4d85 100644
--- a/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.90          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.27          _              _            false
diff --git a/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat
index 92e4e850..aa40e771 100644
--- a/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.73          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.09          _              _            false
diff --git a/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 9e455903..5c844466 100644
--- a/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.52          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.93          _              _            false
diff --git a/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 4e05fe4d..946e0ada 100644
--- a/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.10          _              _            false
diff --git a/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat
index f81d2e49..a2df7c39 100644
--- a/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.73          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.10          _              _            false
diff --git a/static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat
index 37fbe19e..c45df247 100644
--- a/static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.86          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.63          _              _            false
diff --git a/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
index 612ff6ad..9b23d43e 100644
--- a/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.08          _              _            false
diff --git a/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
index 2ec250e0..f563fc84 100644
--- a/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.95          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.65          _              _            false
diff --git a/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat
index e736f1e8..56e37f33 100644
--- a/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.26          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.97          _              _            false
diff --git a/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index ba76853c..55e879ca 100644
--- a/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.02          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.79          _              _            false
diff --git a/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index dc53722f..06943d26 100644
--- a/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.18          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.94          _              _            false
diff --git a/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat
index 8085e4af..1b261fa7 100644
--- a/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.29          _              _            false
   1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.03          _              _            false
diff --git a/static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat
index a0027596..ec998313 100644
--- a/static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.83          _              _            false
   1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.99          _              _            false
diff --git a/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
index aaf11736..dd9837ba 100644
--- a/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.80          _              _            false
   1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.82          _              _            false
diff --git a/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat
index 4a2c3d11..9520f5dd 100644
--- a/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.04          _              _            false
   1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.17          _              _            false
diff --git a/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat
index 117f128e..571545a4 100644
--- a/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.82          _              _            false
   1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.01          _              _            false
diff --git a/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 4450b8db..fd298253 100644
--- a/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.60          _              _            false
   1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.89          _              _            false
diff --git a/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 58c0c191..fc44418b 100644
--- a/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.86          _              _            false
   1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.03          _              _            false
diff --git a/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat
index bdd39b03..3b49a746 100644
--- a/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.91          _              _            false
   1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.14          _              _            false
diff --git a/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
index 1b2f9ce8..13a1b3b2 100644
--- a/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.61          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.38          _              _            false
diff --git a/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat
index dc6f45af..217667aa 100644
--- a/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.58          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.35          _              _            false
diff --git a/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat
index df3f2425..277545c7 100644
--- a/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.38          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.08          _              _            false
diff --git a/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 6be739d3..24091a9a 100644
--- a/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.23          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         8.95          _              _            false
diff --git a/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index f5956f8f..f378d8c0 100644
--- a/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.40          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.12          _              _            false
diff --git a/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat
index 3b365406..46c55320 100644
--- a/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3s)           7.45          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         9.17          _              _            false
diff --git a/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
index ac421e55..7cbc054f 100644
--- a/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.64          _              _            false
   1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.84          _              _            false
diff --git a/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat
index e771a378..86347b18 100644
--- a/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.63          _              _            false
   1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.84          _              _            false
diff --git a/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat
index 9f2ec585..52a1c67a 100644
--- a/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.93          _              _            false
   1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.10          _              _            false
diff --git a/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 0c7915ce..1955b442 100644
--- a/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.66          _              _            false
   1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.86          _              _            false
diff --git a/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 1698b7de..1b86af78 100644
--- a/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.77          _              _            false
   1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.97          _              _            false
diff --git a/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat
index 214a66ad..9e15a731 100644
--- a/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,8 +5,8 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g   1       1     A_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.93          _              _            false
   1       1     \Sigma_g   1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.09          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat
index 85a8d1f9..5ed7446a 100644
--- a/static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.21          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
index 75fc152a..f7ff589a 100644
--- a/static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  2.78          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
index b4a8a45c..81699499 100644
--- a/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.54          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
index ef54ef6a..ddd752e5 100644
--- a/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.71          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
index 6326a8ad..875d8e51 100644
--- a/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.85          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index cb88bcf9..fd773ebf 100644
--- a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.57          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 0635fdb1..aa5fbdb5 100644
--- a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.72          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
index 69d4d833..10fece0e 100644
--- a/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.88          _              _            false
diff --git a/static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat
index 743c8e32..d40f0336 100644
--- a/static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.86          _              _            false
diff --git a/static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat
index c5769a2f..aa6021d3 100644
--- a/static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.32          _              _            false
diff --git a/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
index e97387c2..d04cb4ea 100644
--- a/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.06          _              _            false
diff --git a/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
index 57d1a17a..8e621ee9 100644
--- a/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.57          _              _            false
diff --git a/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
index 4a1ab5c2..05a8e49a 100644
--- a/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.58          _              _            false
diff --git a/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 201ab74a..26dc69e0 100644
--- a/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
diff --git a/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8313ac40..2cd51574 100644
--- a/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.54          _              _            false
diff --git a/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
index cf6b2765..a044429e 100644
--- a/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#3,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.63          _              _            false
diff --git a/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
index 399e73e5..44e14bd2 100644
--- a/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  0.70          _              _            false
diff --git a/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
index ddab6c53..55065a2f 100644
--- a/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  0.85          _              _            false
diff --git a/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
index a474f569..02569bd6 100644
--- a/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  0.98          _              _            false
diff --git a/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index f60ded22..982bb9d2 100644
--- a/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  0.74          _              _            false
diff --git a/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 9b65544f..c7ad2389 100644
--- a/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  0.93          _              _            false
diff --git a/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
index 5dc39fef..ac6f60ab 100644
--- a/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.01          _              _            false
diff --git a/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index 185d37fa..64a1686e 100644
--- a/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.86          _              _            false
diff --git a/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index 06c218f1..254077a6 100644
--- a/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.86          _              _            false
diff --git a/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index 92d2e1a3..7fcbf8f1 100644
--- a/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.07          _              _            false
diff --git a/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 6a04eeab..436a4a16 100644
--- a/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.66          _              _            false
diff --git a/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index a5dfc7c8..793bce61 100644
--- a/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.88          _              _            false
diff --git a/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index 0ebc9057..b07133bf 100644
--- a/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.12          _              _            false
diff --git a/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
index 1a042936..1ee626ea 100644
--- a/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.03          _              _            false
diff --git a/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat
index 324cc7a7..26782762 100644
--- a/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.22          _              _            false
diff --git a/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat
index 0a17b8c7..7bee613a 100644
--- a/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.30          _              _            false
diff --git a/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 6e0248f3..d82b6de0 100644
--- a/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.04          _              _            false
diff --git a/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 64f6a34d..8ecf4adf 100644
--- a/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.23          _              _            false
diff --git a/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat
index 81fb588c..5d79b1f6 100644
--- a/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  1.31          _              _            false
diff --git a/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
index b8fb343e..d83e6c7a 100644
--- a/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.67          _              _            false
diff --git a/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
index f56c9047..1b6ed711 100644
--- a/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.72          _              _            false
diff --git a/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
index 2b3f9c92..4a5acaf3 100644
--- a/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.77          _              _            false
diff --git a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 9c1ae535..9ca1c03e 100644
--- a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.51          _              _            false
diff --git a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 2f5230e3..8e9154d3 100644
--- a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.72          _              _            false
diff --git a/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
index f0dc801d..d1b48ad3 100644
--- a/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.82          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index aea145d4..c2e384c0 100644
--- a/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    1.98          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index a1faf450..a8b80235 100644
--- a/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    1.73          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index 3f5b3699..ca15e595 100644
--- a/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.14          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 33264b60..9a2e0696 100644
--- a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    1.85          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 61ae3b69..7aaa204d 100644
--- a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.01          _              _            false
diff --git a/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index 51e49176..3147d630 100644
--- a/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -5,7 +5,7 @@
 # geom     : 
 # set      : QUEST#1,2
 
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator strenght   unsafe
-#######################  #######################  ########################################  ############# ####### ################### ##############
+# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
+#######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
   1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.17          _              _            false

From eb51524b9194b112ff66fc4eba2ffba886013dd2 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Fri, 16 Oct 2020 17:34:32 +0200
Subject: [PATCH 07/11] Fix transition types

---
 .../data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ.dat  |  8 ++++----
 .../abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ_addon.dat |  8 ++++----
 .../abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ.dat     |  8 ++++----
 .../carbon_monoxide_ADC(2.5)_aug-cc-pVTZ_addon.dat   |  8 ++++----
 .../data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ.dat  |  8 ++++----
 .../abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ_addon.dat |  8 ++++----
 static/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ.dat  |  8 ++++----
 .../abs/carbon_monoxide_CC2_aug-cc-pVTZ_addon.dat    |  8 ++++----
 .../abs/carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat    |  8 ++++----
 .../abs/carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat    |  8 ++++----
 .../abs/carbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat  |  8 ++++----
 .../abs/carbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat  |  8 ++++----
 .../abs/carbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat  |  8 ++++----
 static/data/abs/carbon_monoxide_CC3_6-31+G(d).dat    |  8 ++++----
 static/data/abs/carbon_monoxide_CC3_aug-cc-pVDZ.dat  |  8 ++++----
 static/data/abs/carbon_monoxide_CC3_aug-cc-pVQZ.dat  |  8 ++++----
 static/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ.dat  |  8 ++++----
 .../abs/carbon_monoxide_CC3_aug-cc-pVTZ_addon.dat    |  8 ++++----
 .../data/abs/carbon_monoxide_CC3_d-aug-cc-pVQZ.dat   |  8 ++++----
 .../data/abs/carbon_monoxide_CC3_t-aug-cc-pVQZ.dat   |  8 ++++----
 .../abs/carbon_monoxide_CCSDR(3)_aug-cc-pVTZ.dat     |  6 +++---
 .../data/abs/carbon_monoxide_CCSDT-3_aug-cc-pVTZ.dat |  6 +++---
 .../data/abs/carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat |  8 ++++----
 static/data/abs/carbon_monoxide_CCSDTQ_6-31+G(d).dat |  8 ++++----
 .../data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat  |  8 ++++----
 .../data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat  |  8 ++++----
 static/data/abs/carbon_monoxide_CCSDT_6-31+G(d).dat  |  8 ++++----
 .../data/abs/carbon_monoxide_CCSDT_aug-cc-pVDZ.dat   |  8 ++++----
 .../data/abs/carbon_monoxide_CCSDT_aug-cc-pVQZ.dat   |  8 ++++----
 .../data/abs/carbon_monoxide_CCSDT_aug-cc-pVTZ.dat   |  8 ++++----
 static/data/abs/carbon_monoxide_CCSD_aug-cc-pVTZ.dat |  8 ++++----
 .../data/abs/carbon_monoxide_CIS(D)_aug-cc-pVTZ.dat  |  8 ++++----
 .../data/abs/carbon_monoxide_CIS(D∞)_aug-cc-pVTZ.dat |  8 ++++----
 static/data/abs/carbon_monoxide_FCI_aug-cc-pVDZ.dat  |  8 ++++----
 static/data/abs/carbon_monoxide_FCI_aug-cc-pVQZ.dat  |  6 +++---
 static/data/abs/carbon_monoxide_FCI_aug-cc-pVTZ.dat  |  8 ++++----
 .../abs/carbon_monoxide_STEOM-CCSD_aug-cc-pVTZ.dat   |  8 ++++----
 static/data/abs/carbon_monoxide_TBE(Full)_CBS.dat    |  8 ++++----
 static/data/abs/carbon_monoxide_TBE_aug-cc-pVTZ.dat  |  8 ++++----
 static/data/abs/carbon_monoxide_exp.dat              |  8 ++++----
 .../data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat |  4 ++--
 .../abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat    |  4 ++--
 .../data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat |  4 ++--
 static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat |  4 ++--
 .../abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat  |  4 ++--
 .../abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat   |  4 ++--
 static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat   |  4 ++--
 static/data/abs/carbonylfluoride_CC3_aug-cc-pV5Z.dat |  4 ++--
 static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat |  4 ++--
 static/data/abs/carbonylfluoride_CC3_aug-cc-pVQZ.dat |  4 ++--
 static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat |  4 ++--
 .../abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat    |  2 +-
 .../abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat     |  2 +-
 static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat |  4 ++--
 .../data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat  |  4 ++--
 .../data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat  |  4 ++--
 .../data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat   |  4 ++--
 .../data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat |  4 ++--
 .../abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat     |  4 ++--
 static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat |  4 ++--
 static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat |  4 ++--
 .../carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat    |  4 ++--
 .../carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat |  4 ++--
 .../carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat |  4 ++--
 .../carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat    |  4 ++--
 .../abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat  |  4 ++--
 static/data/abs/carbonylfluoride_TBE(Full)_CBS.dat   |  4 ++--
 static/data/abs/carbonylfluoride_TBE_aug-cc-pVTZ.dat |  4 ++--
 static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat          |  8 ++++----
 static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat        |  8 ++++----
 static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat          |  8 ++++----
 static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat             |  8 ++++----
 static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat      |  8 ++++----
 static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat       |  8 ++++----
 static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat         |  8 ++++----
 static/data/abs/ccl2_CC3_6-31+G(d).dat               |  8 ++++----
 static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat             |  8 ++++----
 static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat             |  8 ++++----
 static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat             |  8 ++++----
 static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat             |  8 ++++----
 static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat        |  4 ++--
 static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat         |  4 ++--
 static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat            |  8 ++++----
 static/data/abs/ccl2_CCSDT_6-31+G(d).dat             |  8 ++++----
 static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat           |  8 ++++----
 static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat           |  8 ++++----
 static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat            |  8 ++++----
 static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat          |  8 ++++----
 static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat         |  8 ++++----
 static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat             |  8 ++++----
 static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat             |  2 +-
 static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat    |  8 ++++----
 static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat |  8 ++++----
 static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat |  8 ++++----
 static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat    |  8 ++++----
 static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat      |  6 +++---
 static/data/abs/ccl2_TBE(Full)_CBS.dat               |  8 ++++----
 static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat             |  8 ++++----
 static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat           |  4 ++--
 static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat         |  4 ++--
 static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat           |  4 ++--
 static/data/abs/cf2_CC2_aug-cc-pVTZ.dat              |  4 ++--
 static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat       |  4 ++--
 static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat        |  4 ++--
 static/data/abs/cf2_CC3_6-31+G(d).dat                |  4 ++--
 static/data/abs/cf2_CC3_aug-cc-pV5Z.dat              |  4 ++--
 static/data/abs/cf2_CC3_aug-cc-pVDZ.dat              |  4 ++--
 static/data/abs/cf2_CC3_aug-cc-pVQZ.dat              |  4 ++--
 static/data/abs/cf2_CC3_aug-cc-pVTZ.dat              |  4 ++--
 static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat         |  2 +-
 static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat          |  2 +-
 static/data/abs/cf2_CCSDTQ_6-31+G(d).dat             |  4 ++--
 static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat           |  4 ++--
 static/data/abs/cf2_CCSDT_6-31+G(d).dat              |  4 ++--
 static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat            |  4 ++--
 static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat            |  4 ++--
 static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat             |  4 ++--
 static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat           |  4 ++--
 static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat          |  4 ++--
 static/data/abs/cf2_FCI_aug-cc-pVDZ.dat              |  4 ++--
 static/data/abs/cf2_FCI_aug-cc-pVTZ.dat              |  4 ++--
 static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat     |  4 ++--
 static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat  |  4 ++--
 static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat  |  4 ++--
 static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat     |  4 ++--
 static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat       |  4 ++--
 static/data/abs/cf2_TBE(Full)_CBS.dat                |  4 ++--
 static/data/abs/cf2_TBE_aug-cc-pVTZ.dat              |  4 ++--
 .../abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat     | 12 ++++++------
 .../abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat   | 12 ++++++------
 .../abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat     | 12 ++++++------
 .../data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat   | 12 ++++++------
 static/data/abs/difluorodiazirine_CC3_6-31+G(d).dat  | 12 ++++++------
 .../data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat   | 12 ++++++------
 .../data/abs/difluorodiazirine_CC3_aug-cc-pVQZ.dat   | 12 ++++++------
 .../data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat   | 12 ++++++------
 .../abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat   |  6 +++---
 .../abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat    |  6 +++---
 .../data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat   | 12 ++++++------
 .../data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat | 12 ++++++------
 .../data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat |  6 +++---
 .../data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat  | 12 ++++++------
 .../abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat     | 12 ++++++------
 .../abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat    | 12 ++++++------
 .../difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat   | 12 ++++++------
 ...difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat | 12 ++++++------
 ...difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat | 12 ++++++------
 .../difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat   | 12 ++++++------
 .../abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat |  6 +++---
 static/data/abs/difluorodiazirine_TBE(Full)_CBS.dat  | 12 ++++++------
 .../data/abs/difluorodiazirine_TBE_aug-cc-pVTZ.dat   | 12 ++++++------
 static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat    |  4 ++--
 .../data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat |  4 ++--
 static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat  |  4 ++--
 .../abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat    |  4 ++--
 static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat    |  4 ++--
 .../data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat |  4 ++--
 static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat       |  4 ++--
 static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat |  4 ++--
 static/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat |  4 ++--
 static/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat |  4 ++--
 .../data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat  |  4 ++--
 .../data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat  |  4 ++--
 .../data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat  |  4 ++--
 static/data/abs/dinitrogen_CC3_6-31+G(d).dat         |  4 ++--
 static/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat       |  4 ++--
 static/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat       |  4 ++--
 static/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat       |  4 ++--
 static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat |  4 ++--
 static/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat     |  4 ++--
 static/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat     |  4 ++--
 static/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat  |  4 ++--
 static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat   |  2 +-
 static/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat   |  4 ++--
 static/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat      |  4 ++--
 static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat    |  4 ++--
 static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat    |  4 ++--
 static/data/abs/dinitrogen_CCSDT_6-31+G(d).dat       |  4 ++--
 static/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat     |  4 ++--
 static/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat     |  2 +-
 static/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat     |  4 ++--
 static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat      |  4 ++--
 static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat    |  4 ++--
 static/data/abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat   |  4 ++--
 static/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat       |  4 ++--
 static/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat       |  4 ++--
 static/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat       |  4 ++--
 .../data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat   |  4 ++--
 static/data/abs/dinitrogen_TBE(Full)_CBS.dat         |  4 ++--
 static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat       |  4 ++--
 static/data/abs/dinitrogen_exp.dat                   |  4 ++--
 .../data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat   |  4 ++--
 .../data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat |  4 ++--
 .../data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat   |  4 ++--
 static/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat   |  4 ++--
 .../abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat    |  4 ++--
 .../abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat     |  4 ++--
 static/data/abs/formylfluoride_CC3_6-31+G(d).dat     |  4 ++--
 static/data/abs/formylfluoride_CC3_aug-cc-pV5Z.dat   |  4 ++--
 static/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat   |  4 ++--
 static/data/abs/formylfluoride_CC3_aug-cc-pVQZ.dat   |  4 ++--
 static/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat   |  4 ++--
 .../data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat |  2 +-
 .../data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat  |  2 +-
 static/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat  |  4 ++--
 static/data/abs/formylfluoride_CCSDT_6-31+G(d).dat   |  4 ++--
 static/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat |  4 ++--
 static/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat |  4 ++--
 static/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat  |  4 ++--
 .../data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat   |  4 ++--
 .../data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat  |  4 ++--
 static/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat   |  4 ++--
 .../abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat  |  4 ++--
 .../formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat   |  4 ++--
 .../formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat   |  4 ++--
 .../abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat  |  4 ++--
 .../data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat  |  2 +-
 .../abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat    |  4 ++--
 static/data/abs/formylfluoride_TBE(Full)_CBS.dat     |  4 ++--
 static/data/abs/formylfluoride_TBE_aug-cc-pVTZ.dat   |  4 ++--
 static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat           |  8 ++++----
 static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat         |  8 ++++----
 static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat           |  8 ++++----
 static/data/abs/hcp_CC2_aug-cc-pVTZ.dat              |  8 ++++----
 static/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat       |  8 ++++----
 static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat        |  8 ++++----
 static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat          |  8 ++++----
 static/data/abs/hcp_CC3_6-31+G(d).dat                |  8 ++++----
 static/data/abs/hcp_CC3_aug-cc-pV5Z.dat              |  8 ++++----
 static/data/abs/hcp_CC3_aug-cc-pVDZ.dat              |  8 ++++----
 static/data/abs/hcp_CC3_aug-cc-pVQZ.dat              |  8 ++++----
 static/data/abs/hcp_CC3_aug-cc-pVTZ.dat              |  8 ++++----
 static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat         |  4 ++--
 static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat          |  4 ++--
 static/data/abs/hcp_CCSDTQP_6-31+G(d).dat            |  8 ++++----
 static/data/abs/hcp_CCSDTQ_6-31+G(d).dat             |  8 ++++----
 static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat           |  8 ++++----
 static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat           |  6 +++---
 static/data/abs/hcp_CCSDT_6-31+G(d).dat              |  8 ++++----
 static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat            |  8 ++++----
 static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat            |  8 ++++----
 static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat             |  8 ++++----
 static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat           |  8 ++++----
 static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat          |  8 ++++----
 static/data/abs/hcp_FCI_aug-cc-pVDZ.dat              |  8 ++++----
 static/data/abs/hcp_FCI_aug-cc-pVTZ.dat              |  8 ++++----
 static/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat     |  8 ++++----
 static/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat  |  8 ++++----
 static/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat  |  8 ++++----
 static/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat     |  8 ++++----
 static/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat       |  8 ++++----
 static/data/abs/hcp_TBE(Full)_CBS.dat                |  8 ++++----
 static/data/abs/hcp_TBE_aug-cc-pVTZ.dat              |  8 ++++----
 static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat           |  2 +-
 static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat         |  2 +-
 static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat           |  2 +-
 static/data/abs/hpo_CC2_aug-cc-pVTZ.dat              |  2 +-
 static/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat       |  2 +-
 static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat        |  2 +-
 static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat          |  2 +-
 static/data/abs/hpo_CC3_6-31+G(d).dat                |  2 +-
 static/data/abs/hpo_CC3_aug-cc-pV5Z.dat              |  2 +-
 static/data/abs/hpo_CC3_aug-cc-pVDZ.dat              |  2 +-
 static/data/abs/hpo_CC3_aug-cc-pVQZ.dat              |  2 +-
 static/data/abs/hpo_CC3_aug-cc-pVTZ.dat              |  2 +-
 static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat         |  2 +-
 static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat          |  2 +-
 static/data/abs/hpo_CCSDTQP_6-31+G(d).dat            |  2 +-
 static/data/abs/hpo_CCSDTQ_6-31+G(d).dat             |  2 +-
 static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat           |  2 +-
 static/data/abs/hpo_CCSDT_6-31+G(d).dat              |  2 +-
 static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat            |  2 +-
 static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat            |  2 +-
 static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat             |  2 +-
 static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat           |  2 +-
 static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat          |  2 +-
 static/data/abs/hpo_FCI_aug-cc-pVDZ.dat              |  2 +-
 static/data/abs/hpo_FCI_aug-cc-pVTZ.dat              |  2 +-
 static/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat     |  2 +-
 static/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat  |  2 +-
 static/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat  |  2 +-
 static/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat     |  2 +-
 static/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat       |  2 +-
 static/data/abs/hpo_TBE(Full)_CBS.dat                |  2 +-
 static/data/abs/hpo_TBE_aug-cc-pVTZ.dat              |  2 +-
 static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat           |  2 +-
 static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat         |  2 +-
 static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat           |  2 +-
 static/data/abs/hps_CC2_aug-cc-pVTZ.dat              |  2 +-
 static/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat       |  2 +-
 static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat        |  2 +-
 static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat          |  2 +-
 static/data/abs/hps_CC3_6-31+G(d).dat                |  2 +-
 static/data/abs/hps_CC3_aug-cc-pV5Z.dat              |  2 +-
 static/data/abs/hps_CC3_aug-cc-pVDZ.dat              |  2 +-
 static/data/abs/hps_CC3_aug-cc-pVQZ.dat              |  2 +-
 static/data/abs/hps_CC3_aug-cc-pVTZ.dat              |  2 +-
 static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat         |  2 +-
 static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat          |  2 +-
 static/data/abs/hps_CCSDTQP_6-31+G(d).dat            |  2 +-
 static/data/abs/hps_CCSDTQ_6-31+G(d).dat             |  2 +-
 static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat           |  2 +-
 static/data/abs/hps_CCSDT_6-31+G(d).dat              |  2 +-
 static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat            |  2 +-
 static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat            |  2 +-
 static/data/abs/hps_CCSD_aug-cc-pVTZ.dat             |  2 +-
 static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat           |  2 +-
 static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat          |  2 +-
 static/data/abs/hps_FCI_aug-cc-pVDZ.dat              |  2 +-
 static/data/abs/hps_FCI_aug-cc-pVTZ.dat              |  2 +-
 static/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat     |  2 +-
 static/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat  |  2 +-
 static/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat  |  2 +-
 static/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat     |  2 +-
 static/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat       |  2 +-
 static/data/abs/hps_TBE(Full)_CBS.dat                |  2 +-
 static/data/abs/hps_TBE_aug-cc-pVTZ.dat              |  2 +-
 static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat          |  2 +-
 static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat        |  2 +-
 static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat          |  2 +-
 static/data/abs/hsif_CC2_aug-cc-pVTZ.dat             |  2 +-
 static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat      |  2 +-
 static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat       |  2 +-
 static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat         |  2 +-
 static/data/abs/hsif_CC3_6-31+G(d).dat               |  2 +-
 static/data/abs/hsif_CC3_aug-cc-pV5Z.dat             |  2 +-
 static/data/abs/hsif_CC3_aug-cc-pVDZ.dat             |  2 +-
 static/data/abs/hsif_CC3_aug-cc-pVQZ.dat             |  2 +-
 static/data/abs/hsif_CC3_aug-cc-pVTZ.dat             |  2 +-
 static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat        |  2 +-
 static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat         |  2 +-
 static/data/abs/hsif_CCSDTQP_6-31+G(d).dat           |  2 +-
 static/data/abs/hsif_CCSDTQ_6-31+G(d).dat            |  2 +-
 static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat          |  2 +-
 static/data/abs/hsif_CCSDT_6-31+G(d).dat             |  2 +-
 static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat           |  2 +-
 static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat           |  2 +-
 static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat            |  2 +-
 static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat          |  2 +-
 static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat         |  2 +-
 static/data/abs/hsif_FCI_aug-cc-pVDZ.dat             |  2 +-
 static/data/abs/hsif_FCI_aug-cc-pVTZ.dat             |  2 +-
 static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat    |  2 +-
 static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat |  2 +-
 static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat |  2 +-
 static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat    |  2 +-
 static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat      |  2 +-
 static/data/abs/hsif_TBE(Full)_CBS.dat               |  2 +-
 static/data/abs/hsif_TBE_aug-cc-pVTZ.dat             |  2 +-
 .../abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ.dat     |  2 +-
 .../hydrogen_chloride_ADC(2)_aug-cc-pVTZ_addon.dat   |  2 +-
 .../abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ.dat   |  2 +-
 .../hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ_addon.dat |  2 +-
 .../abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ.dat     |  2 +-
 .../hydrogen_chloride_ADC(3)_aug-cc-pVTZ_addon.dat   |  2 +-
 .../data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ.dat   |  2 +-
 .../abs/hydrogen_chloride_CC2_aug-cc-pVTZ_addon.dat  |  2 +-
 .../abs/hydrogen_chloride_CC3(Full)_aug-cc-pV5Z.dat  |  2 +-
 .../abs/hydrogen_chloride_CC3(Full)_aug-cc-pVQZ.dat  |  2 +-
 .../hydrogen_chloride_CC3(Full)_d-aug-cc-pV5Z.dat    |  2 +-
 .../hydrogen_chloride_CC3(Full)_d-aug-cc-pVQZ.dat    |  2 +-
 .../hydrogen_chloride_CC3(Full)_t-aug-cc-pVQZ.dat    |  2 +-
 static/data/abs/hydrogen_chloride_CC3_6-31+G(d).dat  |  2 +-
 .../data/abs/hydrogen_chloride_CC3_aug-cc-pVDZ.dat   |  2 +-
 .../data/abs/hydrogen_chloride_CC3_aug-cc-pVQZ.dat   |  2 +-
 .../data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ.dat   |  2 +-
 .../abs/hydrogen_chloride_CC3_aug-cc-pVTZ_addon.dat  |  2 +-
 .../data/abs/hydrogen_chloride_CC3_d-aug-cc-pVQZ.dat |  2 +-
 .../data/abs/hydrogen_chloride_CC3_d-aug-cc-pVTZ.dat |  2 +-
 .../data/abs/hydrogen_chloride_CC3_t-aug-cc-pVQZ.dat |  2 +-
 .../abs/hydrogen_chloride_CCSDR(3)_aug-cc-pVTZ.dat   |  2 +-
 .../abs/hydrogen_chloride_CCSDT-3_aug-cc-pVTZ.dat    |  2 +-
 .../abs/hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat    |  2 +-
 .../data/abs/hydrogen_chloride_CCSDTQ_6-31+G(d).dat  |  2 +-
 .../abs/hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat     |  2 +-
 .../abs/hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat     |  2 +-
 .../data/abs/hydrogen_chloride_CCSDT_6-31+G(d).dat   |  2 +-
 .../data/abs/hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat |  2 +-
 .../data/abs/hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat |  2 +-
 .../data/abs/hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat |  2 +-
 .../data/abs/hydrogen_chloride_CCSD_aug-cc-pVTZ.dat  |  2 +-
 .../abs/hydrogen_chloride_CIS(D)_aug-cc-pVTZ.dat     |  2 +-
 .../abs/hydrogen_chloride_CIS(D∞)_aug-cc-pVTZ.dat    |  2 +-
 .../data/abs/hydrogen_chloride_FCI_aug-cc-pVDZ.dat   |  2 +-
 .../data/abs/hydrogen_chloride_FCI_aug-cc-pVQZ.dat   |  2 +-
 .../data/abs/hydrogen_chloride_FCI_aug-cc-pVTZ.dat   |  2 +-
 .../abs/hydrogen_chloride_STEOM-CCSD_aug-cc-pVTZ.dat |  2 +-
 static/data/abs/hydrogen_chloride_TBE(Full)_CBS.dat  |  2 +-
 .../data/abs/hydrogen_chloride_TBE_aug-cc-pVTZ.dat   |  2 +-
 static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat         |  4 ++--
 static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat       |  4 ++--
 static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat         |  4 ++--
 static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat            |  4 ++--
 static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat     |  4 ++--
 static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat      |  4 ++--
 static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat        |  4 ++--
 static/data/abs/sicl2_CC3_6-31+G(d).dat              |  4 ++--
 static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat            |  4 ++--
 static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat            |  4 ++--
 static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat            |  4 ++--
 static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat            |  4 ++--
 static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat       |  2 +-
 static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat        |  2 +-
 static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat           |  4 ++--
 static/data/abs/sicl2_CCSDT_6-31+G(d).dat            |  4 ++--
 static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat          |  4 ++--
 static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat          |  4 ++--
 static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat           |  4 ++--
 static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat         |  4 ++--
 static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat        |  4 ++--
 static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat            |  4 ++--
 static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat            |  4 ++--
 static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat   |  4 ++--
 .../data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat   |  4 ++--
 .../data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat   |  4 ++--
 static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat   |  4 ++--
 static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat     |  2 +-
 static/data/abs/sicl2_TBE(Full)_CBS.dat              |  4 ++--
 static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat            |  4 ++--
 static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat    |  4 ++--
 static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat  |  4 ++--
 static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat    |  4 ++--
 static/data/abs/silylidene_CC2_aug-cc-pVTZ.dat       |  4 ++--
 .../data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat   |  4 ++--
 static/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat |  4 ++--
 static/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat   |  4 ++--
 static/data/abs/silylidene_CC3_6-31+G(d).dat         |  4 ++--
 static/data/abs/silylidene_CC3_aug-cc-pV5Z.dat       |  4 ++--
 static/data/abs/silylidene_CC3_aug-cc-pVDZ.dat       |  4 ++--
 static/data/abs/silylidene_CC3_aug-cc-pVQZ.dat       |  4 ++--
 static/data/abs/silylidene_CC3_aug-cc-pVTZ.dat       |  4 ++--
 static/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat  |  4 ++--
 static/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat   |  4 ++--
 static/data/abs/silylidene_CCSDTQP_6-31+G(d).dat     |  4 ++--
 static/data/abs/silylidene_CCSDTQ_6-31+G(d).dat      |  4 ++--
 static/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat    |  4 ++--
 static/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat    |  4 ++--
 static/data/abs/silylidene_CCSDT_6-31+G(d).dat       |  4 ++--
 static/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat     |  4 ++--
 static/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat     |  4 ++--
 static/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat      |  4 ++--
 static/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat    |  4 ++--
 static/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat   |  4 ++--
 static/data/abs/silylidene_FCI_aug-cc-pVDZ.dat       |  4 ++--
 static/data/abs/silylidene_FCI_aug-cc-pVTZ.dat       |  4 ++--
 .../data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat |  4 ++--
 .../abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat   |  4 ++--
 .../abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat   |  4 ++--
 .../data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat |  4 ++--
 .../data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat   |  4 ++--
 static/data/abs/silylidene_TBE(Full)_CBS.dat         |  4 ++--
 static/data/abs/silylidene_TBE_aug-cc-pVTZ.dat       |  4 ++--
 452 files changed, 1026 insertions(+), 1026 deletions(-)

diff --git a/static/data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ.dat
index ebf59b4e..e7ded0b4 100644
--- a/static/data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.69          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.03         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.32         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.83         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            12.03         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.32         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.83         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         12.03         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.45          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.54          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.33          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.01         _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.83         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.83         _              _            false
diff --git a/static/data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ_addon.dat b/static/data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ_addon.dat
index ca26be36..be01191b 100644
--- a/static/data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/carbon_monoxide_ADC(2)_aug-cc-pVTZ_addon.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.69          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.03         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.32         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.83         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            12.03         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.32         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.83         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         12.03         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.45          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.54          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.33          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.01         _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.83         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.83         _              _            false
diff --git a/static/data/abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ.dat
index e1d550d5..ae85e13e 100644
--- a/static/data/abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.46          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.88          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.06         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.05         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.58         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.79         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.05         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.58         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.79         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.21          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.38          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.18          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.77          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.56         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.56         _              _            false
diff --git a/static/data/abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ_addon.dat b/static/data/abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ_addon.dat
index 99d45a5f..17d6c243 100644
--- a/static/data/abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/carbon_monoxide_ADC(2.5)_aug-cc-pVTZ_addon.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.46          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.88          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.06         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.05         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.58         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.79         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.05         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.58         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.79         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.21          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.38          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.18          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.77          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.56         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.56         _              _            false
diff --git a/static/data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ.dat
index f91cdec4..8380a583 100644
--- a/static/data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.24          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.73          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.82          _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.79         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.33         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.56         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.79         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.33         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.56         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    5.97          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.21          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.03          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.53          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.29         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.29         _              _            false
diff --git a/static/data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ_addon.dat b/static/data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ_addon.dat
index 74d7b153..de2b1e90 100644
--- a/static/data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/carbon_monoxide_ADC(3)_aug-cc-pVTZ_addon.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.24          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.73          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.82          _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.79         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.33         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.56         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.79         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.33         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.56         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    5.97          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.21          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.03          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.53          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.29         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.29         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ.dat
index a7a68265..baec4128 100644
--- a/static/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.64          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.60         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.11         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.63         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.83         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.11         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.63         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.83         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.42          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.72          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.56          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.27         _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.60         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.60         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ_addon.dat b/static/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ_addon.dat
index e62919f5..018ebf34 100644
--- a/static/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/carbon_monoxide_CC2_aug-cc-pVTZ_addon.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.64          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.60         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.11         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.63         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.83         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.11         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.63         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.83         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.42          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.72          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.56          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.27         _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.60         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.60         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat b/static/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat
index acd94a6c..eacd8fd0 100644
--- a/static/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat
+++ b/static/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pV5Z.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   8.45          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.98          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 10.11         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.85         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.42         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.57         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.85         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.42         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.57         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   6.29          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.48          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 9.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.42         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.42         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat
index b60a73f2..13b9291f 100644
--- a/static/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/carbon_monoxide_CC3(Full)_aug-cc-pVQZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   8.46          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.98          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 10.11         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.91         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.47         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.64         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.91         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.47         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.64         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   6.29          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.47          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 9.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.45         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.45         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat b/static/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat
index 522ab808..2cc6f5aa 100644
--- a/static/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat
+++ b/static/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pV5Z.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   8.45          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.98          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 10.11         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.74         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.35         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.48         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.74         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.35         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.48         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   6.29          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.48          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 9.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.35         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.35         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat
index b052ba3a..e6300942 100644
--- a/static/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat
+++ b/static/data/abs/carbon_monoxide_CC3(Full)_d-aug-cc-pVQZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   8.45          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.98          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 10.11         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.72         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.34         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.46         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.72         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.34         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.46         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   6.29          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.47          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 9.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.33         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.33         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat
index 183880b0..82b3826f 100644
--- a/static/data/abs/carbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat
+++ b/static/data/abs/carbon_monoxide_CC3(Full)_t-aug-cc-pVQZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   8.45          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.98          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 10.11         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.72         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.34         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.46         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.72         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.34         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.46         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   6.29          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.47          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 9.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.34         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.34         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3_6-31+G(d).dat b/static/data/abs/carbon_monoxide_CC3_6-31+G(d).dat
index 67c4d340..85ff12f5 100644
--- a/static/data/abs/carbon_monoxide_CC3_6-31+G(d).dat
+++ b/static/data/abs/carbon_monoxide_CC3_6-31+G(d).dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.66          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.19         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.28         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.89         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.53         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.83         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.89         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.53         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.83         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.35          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.49          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.44          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.94          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.33         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.33         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3_aug-cc-pVDZ.dat b/static/data/abs/carbon_monoxide_CC3_aug-cc-pVDZ.dat
index bd0b9b4e..bbf63368 100644
--- a/static/data/abs/carbon_monoxide_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/carbon_monoxide_CC3_aug-cc-pVDZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (n \rightarrow \pi^\star)               8.57          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             10.12         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\pi \rightarrow \pi^\star)             10.23         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.92         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.48         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.74         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.92         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.48         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.74         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (n \rightarrow \pi^\star)               6.31          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.45          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\pi \rightarrow \pi^\star)             9.37          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\pi \rightarrow \pi^\star)             9.89          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.39         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.39         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3_aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_CC3_aug-cc-pVQZ.dat
index eb1a7c83..03349525 100644
--- a/static/data/abs/carbon_monoxide_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/carbon_monoxide_CC3_aug-cc-pVQZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (n \rightarrow \pi^\star)               8.47          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             9.99          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\pi \rightarrow \pi^\star)             10.12         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.90         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.46         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.63         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.90         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.46         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.63         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (n \rightarrow \pi^\star)               6.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.48          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\pi \rightarrow \pi^\star)             9.31          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\pi \rightarrow \pi^\star)             9.82          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.44         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.44         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ.dat
index 12b4527c..06c74fe0 100644
--- a/static/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.49          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.99          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.12         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.94         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.49         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.69         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.94         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.49         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.69         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.45          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.82          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.45         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.45         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ_addon.dat b/static/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ_addon.dat
index e0810373..44e2f144 100644
--- a/static/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/carbon_monoxide_CC3_aug-cc-pVTZ_addon.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.49          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.99          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.12         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.94         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.49         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.69         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.94         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.49         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.69         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.45          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.82          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.45         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.45         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3_d-aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_CC3_d-aug-cc-pVQZ.dat
index 66614cae..da49aaf6 100644
--- a/static/data/abs/carbon_monoxide_CC3_d-aug-cc-pVQZ.dat
+++ b/static/data/abs/carbon_monoxide_CC3_d-aug-cc-pVQZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   8.47          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.99          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 10.12         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.72         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.33         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.46         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.72         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.33         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.46         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   6.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.48          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 9.31          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.81          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.33         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.33         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CC3_t-aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_CC3_t-aug-cc-pVQZ.dat
index 4d2dee06..edd74d18 100644
--- a/static/data/abs/carbon_monoxide_CC3_t-aug-cc-pVQZ.dat
+++ b/static/data/abs/carbon_monoxide_CC3_t-aug-cc-pVQZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   8.47          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.99          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 10.11         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.72         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.33         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.46         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.72         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.33         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.46         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V}; n \rightarrow \pi^\star)   6.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.48          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V}; \pi \rightarrow \pi^\star) 9.31          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V}; \pi \rightarrow \pi^\star) 9.82          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.33         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.33         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCSDR(3)_aug-cc-pVTZ.dat
index ddd6a7f8..78708b4d 100644
--- a/static/data/abs/carbon_monoxide_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSDR(3)_aug-cc-pVTZ.dat
@@ -11,6 +11,6 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.52          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.98          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.12         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.99         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.53         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.73         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.99         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.53         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.73         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCSDT-3_aug-cc-pVTZ.dat
index e74295ac..bb2bba77 100644
--- a/static/data/abs/carbon_monoxide_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSDT-3_aug-cc-pVTZ.dat
@@ -11,6 +11,6 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.51          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.98          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.11         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.02         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.55         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.76         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.02         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.55         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.76         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat b/static/data/abs/carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
index 7c8f7f5f..bb9c2e86 100644
--- a/static/data/abs/carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSDTQP_aug-cc-pVDZ.dat
@@ -11,10 +11,10 @@
   1       1     \Sigma^+   1       1     \Pi          (n \rightarrow \pi^\star)               8.56          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             10.06         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\pi \rightarrow \pi^\star)             10.17         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.92         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.51         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.75         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.92         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.51         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.75         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (n \rightarrow \pi^\star)               6.28          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.44          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\pi \rightarrow \pi^\star)             9.34          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.41         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.41         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSDTQ_6-31+G(d).dat b/static/data/abs/carbon_monoxide_CCSDTQ_6-31+G(d).dat
index 21724d10..27ff066a 100644
--- a/static/data/abs/carbon_monoxide_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/carbon_monoxide_CCSDTQ_6-31+G(d).dat
@@ -11,10 +11,10 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.66          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.12         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.22         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.90         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.56         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.85         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.90         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.56         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.85         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.32          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.48          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.40          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.35         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.35         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
index bf6e1828..bcef7c41 100644
--- a/static/data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVDZ.dat
@@ -11,10 +11,10 @@
   1       1     \Sigma^+   1       1     \Pi          (n \rightarrow \pi^\star)               8.56          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             10.06         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\pi \rightarrow \pi^\star)             10.17         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.93         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.51         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.76         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.93         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.51         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.76         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (n \rightarrow \pi^\star)               6.29          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.44          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\pi \rightarrow \pi^\star)             9.34          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.42         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.42         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
index 2e59e32d..743d5d47 100644
--- a/static/data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSDTQ_aug-cc-pVTZ.dat
@@ -11,10 +11,10 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.48          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.93          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.07         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.96         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.52         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.72         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.96         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.52         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.72         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.28          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.44          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.26          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.48         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.48         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSDT_6-31+G(d).dat b/static/data/abs/carbon_monoxide_CCSDT_6-31+G(d).dat
index a19868c5..0dfb3bd2 100644
--- a/static/data/abs/carbon_monoxide_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/carbon_monoxide_CCSDT_6-31+G(d).dat
@@ -11,10 +11,10 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.67          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.13         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.23         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.92         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.57         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.86         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.92         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.57         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.86         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.34          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.47          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.39          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.36         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.36         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVDZ.dat
index 86adf746..1d90b5da 100644
--- a/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVDZ.dat
@@ -11,10 +11,10 @@
   1       1     \Sigma^+   1       1     \Pi          (n \rightarrow \pi^\star)               8.57          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             10.06         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\pi \rightarrow \pi^\star)             10.18         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.94         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.52         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.77         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.94         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.52         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.77         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (n \rightarrow \pi^\star)               6.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.43          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\pi \rightarrow \pi^\star)             9.33          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.42         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.42         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
index c26ca1dd..47e8e106 100644
--- a/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVQZ.dat
@@ -11,10 +11,10 @@
   1       1     \Sigma^+   1       1     \Pi          (n \rightarrow \pi^\star)               8.48          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             9.94          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\pi \rightarrow \pi^\star)             10.07         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.95         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.51         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.69         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.95         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.51         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.69         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (n \rightarrow \pi^\star)               6.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.45          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\pi \rightarrow \pi^\star)             9.26          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.49         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.49         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
index 83689719..2529b8d5 100644
--- a/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSDT_aug-cc-pVTZ.dat
@@ -11,10 +11,10 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.49          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.94          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.08         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.99         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.54         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.74         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.99         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.54         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.74         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.30          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.42          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.26          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.50         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.50         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CCSD_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCSD_aug-cc-pVTZ.dat
index 2dbd7305..41302c10 100644
--- a/static/data/abs/carbon_monoxide_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSD_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.59          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.99          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.12         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.22         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.75         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.96         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.22         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.75         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.96         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.36          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.34          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.23          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.81          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.71         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.71         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CIS(D)_aug-cc-pVTZ.dat
index 24d3c7e0..517ff786 100644
--- a/static/data/abs/carbon_monoxide_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CIS(D)_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.78          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.13         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.41         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.48         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.71         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            12.06         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.48         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.71         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         12.06         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.51          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.63          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.44          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.10         _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.98         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.98         _              _            false
diff --git a/static/data/abs/carbon_monoxide_CIS(D∞)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CIS(D∞)_aug-cc-pVTZ.dat
index 5f74808c..818d0b5f 100644
--- a/static/data/abs/carbon_monoxide_CIS(D∞)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CIS(D∞)_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.69          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.03         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.32         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.83         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            12.03         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.32         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.83         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         12.03         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.45          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.54          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.33          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  10.01         _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.83         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.83         _              _            false
diff --git a/static/data/abs/carbon_monoxide_FCI_aug-cc-pVDZ.dat b/static/data/abs/carbon_monoxide_FCI_aug-cc-pVDZ.dat
index 66118ffb..5c7f3ae1 100644
--- a/static/data/abs/carbon_monoxide_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/carbon_monoxide_FCI_aug-cc-pVDZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (n \rightarrow \pi^\star)               8.57          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             10.05         _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\pi \rightarrow \pi^\star)             10.16         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.94         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.52         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.76         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.94         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.52         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.76         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (n \rightarrow \pi^\star)               6.29          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.46          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\pi \rightarrow \pi^\star)             9.33          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\pi \rightarrow \pi^\star)             9.83          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.41         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.41         _              _            false
diff --git a/static/data/abs/carbon_monoxide_FCI_aug-cc-pVQZ.dat b/static/data/abs/carbon_monoxide_FCI_aug-cc-pVQZ.dat
index 195fa61f..7953a2d9 100644
--- a/static/data/abs/carbon_monoxide_FCI_aug-cc-pVQZ.dat
+++ b/static/data/abs/carbon_monoxide_FCI_aug-cc-pVQZ.dat
@@ -11,9 +11,9 @@
   1       1     \Sigma^+   1       1     \Pi          (n \rightarrow \pi^\star)               8.50          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             9.99          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\pi \rightarrow \pi^\star)             10.11         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.96         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.53         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.70         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.96         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.53         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.70         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (n \rightarrow \pi^\star)               6.29          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.49          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\pi \rightarrow \pi^\star)             9.29          _              _            false
diff --git a/static/data/abs/carbon_monoxide_FCI_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_FCI_aug-cc-pVTZ.dat
index a4b5d8a7..1bd37584 100644
--- a/static/data/abs/carbon_monoxide_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_FCI_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (n \rightarrow \pi^\star)               8.49          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             9.92          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\pi \rightarrow \pi^\star)             10.06         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.95         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.52         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.72         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.95         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.52         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.72         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (n \rightarrow \pi^\star)               6.28          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.45          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\pi \rightarrow \pi^\star)             9.27          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\pi \rightarrow \pi^\star)             9.80          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.47         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.47         _              _            false
diff --git a/static/data/abs/carbon_monoxide_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_STEOM-CCSD_aug-cc-pVTZ.dat
index a89c6624..02f6f539 100644
--- a/static/data/abs/carbon_monoxide_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.55          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.90          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.07         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            11.14         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.75         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            12.00         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.14         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.75         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         12.00         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.32          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.37          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.21          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.83          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.73         _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.73         _              _            false
diff --git a/static/data/abs/carbon_monoxide_TBE(Full)_CBS.dat b/static/data/abs/carbon_monoxide_TBE(Full)_CBS.dat
index a23bec9e..90b82326 100644
--- a/static/data/abs/carbon_monoxide_TBE(Full)_CBS.dat
+++ b/static/data/abs/carbon_monoxide_TBE(Full)_CBS.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.48          93.1           0.168        false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.98          93.3           _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.10         91.8           _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.80         91.5           0.003        false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.42         92.9           0.200        false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.55         92.4           0.106        false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.80         91.5           0.003        false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.42         92.9           0.200        false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.55         92.4           0.106        false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.28          98.7           _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.49          98.7           _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.28          98.4           _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.77          97.5           _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.37         98.0           _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.37         98.0           _            false
diff --git a/static/data/abs/carbon_monoxide_TBE_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_TBE_aug-cc-pVTZ.dat
index a00bbc86..493d5f03 100644
--- a/static/data/abs/carbon_monoxide_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_TBE_aug-cc-pVTZ.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    8.49          93.1           0.168        false
   1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.92          93.3           _            false
   1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  10.06         91.8           _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.95         91.5           0.003        false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.52         92.9           0.200        false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.72         92.4           0.106        false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.95         91.5           0.003        false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.52         92.9           0.200        false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.72         92.4           0.106        false
   1       1     \Sigma^+   1       3     \Pi          (\mathrm{V};n \rightarrow \pi^\star)    6.28          98.7           _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  8.45          98.7           _            false
   1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  9.27          98.4           _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  9.80          97.5           _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.47         98.0           _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.47         98.0           _            false
diff --git a/static/data/abs/carbon_monoxide_exp.dat b/static/data/abs/carbon_monoxide_exp.dat
index 7723f963..09877897 100644
--- a/static/data/abs/carbon_monoxide_exp.dat
+++ b/static/data/abs/carbon_monoxide_exp.dat
@@ -11,11 +11,11 @@
   1       1     \Sigma^+   1       1     \Pi          (n \rightarrow \pi^\star)               8.51          _              _            false
   1       1     \Sigma^+   1       1     \Sigma^-     (\pi \rightarrow \pi^\star)             9.88          _              _            false
   1       1     \Sigma^+   1       1     \Delta       (\pi \rightarrow \pi^\star)             10.23         _              _            false
-  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R})                            10.78         _              _            false
-  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.40         _              _            false
-  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            11.53         _              _            false
+  1       1     \Sigma^+   2       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.78         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         11.40         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R};\pi \rightarrow 3p)         11.53         _              _            false
   1       1     \Sigma^+   1       3     \Pi          (n \rightarrow \pi^\star)               6.32          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^+     (\pi \rightarrow \pi^\star)             8.51          _              _            false
   1       1     \Sigma^+   1       3     \Delta       (\pi \rightarrow \pi^\star)             9.36          _              _            false
   1       1     \Sigma^+   1       3     \Sigma^-     (\pi \rightarrow \pi^\star)             9.88          _              _            false
-  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            10.4          _              _            false
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R};\pi \rightarrow 3p)         10.4          _              _            false
diff --git a/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat
index 4f8945e1..d621744c 100644
--- a/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_ADC(2)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.22          _              _            false
-  1       1     A_1        1       3     A_2          _                                       6.91          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.22          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.91          _              _            false
diff --git a/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
index 44e34ac7..67a8bba1 100644
--- a/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.27          _              _            false
-  1       1     A_1        1       3     A_2          _                                       6.96          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.27          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.96          _              _            false
diff --git a/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat
index ceeded62..324078ff 100644
--- a/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_ADC(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.32          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.01          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.32          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.01          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat
index 3d17d028..f88a7f47 100644
--- a/static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.47          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.14          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.47          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.14          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat
index 08361d82..21e09d40 100644
--- a/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.28          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.00          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.28          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.00          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat
index 38b13af8..c3dda20d 100644
--- a/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/carbonylfluoride_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.29          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.01          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.29          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.01          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat b/static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat
index 91c5e0e1..cb1ddfb9 100644
--- a/static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat
+++ b/static/data/abs/carbonylfluoride_CC3_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.33          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.03          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.33          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.03          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CC3_aug-cc-pV5Z.dat b/static/data/abs/carbonylfluoride_CC3_aug-cc-pV5Z.dat
index b7b09cc2..77993441 100644
--- a/static/data/abs/carbonylfluoride_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/carbonylfluoride_CC3_aug-cc-pV5Z.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.31          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.04          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.31          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.04          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat b/static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat
index d3caa65a..93ef4058 100644
--- a/static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/carbonylfluoride_CC3_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.34          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.05          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.34          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.05          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CC3_aug-cc-pVQZ.dat b/static/data/abs/carbonylfluoride_CC3_aug-cc-pVQZ.dat
index a022e73f..a60a35f7 100644
--- a/static/data/abs/carbonylfluoride_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/carbonylfluoride_CC3_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.31          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.03          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.31          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.03          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat
index 0e6b899b..6e090274 100644
--- a/static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CC3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.31          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.03          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.31          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.03          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat
index cf4d7eb1..69800f78 100644
--- a/static/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.32          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.32          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat
index e4bcddbc..19c1cddb 100644
--- a/static/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.32          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.32          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat b/static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat
index c55b7559..c2ac3225 100644
--- a/static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/carbonylfluoride_CCSDT_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.30          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.00          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.30          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.00          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat
index 26e5e12d..efc14fc1 100644
--- a/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.31          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.02          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.31          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.02          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat
index f8b33bdb..15e0b62b 100644
--- a/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CCSDT_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.28          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.00          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.28          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.00          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat
index be66f984..4d1fa329 100644
--- a/static/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.36          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.03          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.36          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.03          _              _            false
diff --git a/static/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat
index 86bb1a3b..0b9ed9e6 100644
--- a/static/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CIS(D)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.38          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.08          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.38          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.08          _              _            false
diff --git a/static/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat
index 2b62bac3..727fbf13 100644
--- a/static/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.39          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.08          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.39          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.08          _              _            false
diff --git a/static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat b/static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat
index d096fadc..48a64fa2 100644
--- a/static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/carbonylfluoride_FCI_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.30          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.08          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.30          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.08          _              _            false
diff --git a/static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat
index 3be9326f..0042a05b 100644
--- a/static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_FCI_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.32          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.04          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.32          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.04          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index 9067af74..167ccca0 100644
--- a/static/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/carbonylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.47          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.21          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.47          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.21          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index a0116db9..4c4450e9 100644
--- a/static/data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/carbonylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.04          _              _            false
-  1       1     A_1        1       3     A_2          _                                       6.81          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.04          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.81          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 2f53b33c..5200e70d 100644
--- a/static/data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/carbonylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.27          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.05          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.27          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.05          _              _            false
diff --git a/static/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index 5144cb7f..2fa883c3 100644
--- a/static/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/carbonylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.48          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.24          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.48          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.24          _              _            false
diff --git a/static/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat
index 9d5dbf6c..e2b2ccca 100644
--- a/static/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.07          _              _            false
-  1       1     A_1        1       3     A_2          _                                       6.82          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.07          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.82          _              _            false
diff --git a/static/data/abs/carbonylfluoride_TBE(Full)_CBS.dat b/static/data/abs/carbonylfluoride_TBE(Full)_CBS.dat
index 7012b8bf..7610ce6e 100644
--- a/static/data/abs/carbonylfluoride_TBE(Full)_CBS.dat
+++ b/static/data/abs/carbonylfluoride_TBE(Full)_CBS.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.31          _              _            false
-  1       1     A_1        1       3     A_2          _                                       7.07          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.31          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.07          _              _            false
diff --git a/static/data/abs/carbonylfluoride_TBE_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_TBE_aug-cc-pVTZ.dat
index d1d9d7f6..cd1fe529 100644
--- a/static/data/abs/carbonylfluoride_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_TBE_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       7.31          91.1           _            false
-  1       1     A_1        1       3     A_2          _                                       7.06          97.8           _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.31          91.1           _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    7.06          97.8           _            false
diff --git a/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat
index f694be83..206f7493 100644
--- a/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.46          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.12          _              _            false
-  1       1     A_1        1       3     B_1          _                                       0.98          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.05          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.46          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.12          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         0.98          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.05          _              _            false
diff --git a/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat
index faa41a5c..c65d4f45 100644
--- a/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.44          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.44          _              _            false
-  1       1     A_1        1       3     B_1          _                                       0.95          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.34          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.44          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         0.95          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.34          _              _            false
diff --git a/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat
index bb3c7686..4ad9f967 100644
--- a/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.41          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.76          _              _            false
-  1       1     A_1        1       3     B_1          _                                       0.91          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.62          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.41          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.76          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         0.91          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.62          _              _            false
diff --git a/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat
index 9867ee0d..baa85e45 100644
--- a/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.58          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.27          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.15          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.20          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.58          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.27          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.15          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.20          _              _            false
diff --git a/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat
index 810f0762..26da177c 100644
--- a/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.57          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.33          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.19          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.26          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.57          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.33          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.19          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.26          _              _            false
diff --git a/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat
index db7ea52d..e2981ef6 100644
--- a/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.57          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.34          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.19          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.28          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.57          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.34          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.19          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.28          _              _            false
diff --git a/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat
index f2ced784..40af2878 100644
--- a/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.59          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.36          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.21          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.29          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.59          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.36          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.21          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
diff --git a/static/data/abs/ccl2_CC3_6-31+G(d).dat b/static/data/abs/ccl2_CC3_6-31+G(d).dat
index 691f93ee..96210a88 100644
--- a/static/data/abs/ccl2_CC3_6-31+G(d).dat
+++ b/static/data/abs/ccl2_CC3_6-31+G(d).dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.71          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.46          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.10          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.41          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.46          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.10          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.41          _              _            false
diff --git a/static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat b/static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat
index c4bf32ad..c7c58802 100644
--- a/static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.59          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.36          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.21          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.29          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.59          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.36          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.21          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
diff --git a/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat b/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat
index e0d478bc..572c16a0 100644
--- a/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.69          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.40          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.20          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.34          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.69          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.40          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.20          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.34          _              _            false
diff --git a/static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat b/static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat
index 56e105dc..662bfd8c 100644
--- a/static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.60          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.37          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.21          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.30          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.60          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.37          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.21          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.30          _              _            false
diff --git a/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat
index 0e517139..d7ae031b 100644
--- a/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.61          _              0.002        false
-  1       1     A_1        1       1     A_2          _                                       4.35          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.20          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.28          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              0.002        false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.35          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.20          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.28          _              _            false
diff --git a/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat
index 43c1503c..d0d6bf75 100644
--- a/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.59          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.37          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.59          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.37          _              _            false
diff --git a/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat
index b06c75f1..489a9606 100644
--- a/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.61          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.41          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.41          _              _            false
diff --git a/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat b/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat
index b89d4cba..65b1094f 100644
--- a/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.70          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.47          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.11          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.42          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.70          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.47          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.11          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.42          _              _            false
diff --git a/static/data/abs/ccl2_CCSDT_6-31+G(d).dat b/static/data/abs/ccl2_CCSDT_6-31+G(d).dat
index 156d8041..9b086840 100644
--- a/static/data/abs/ccl2_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/ccl2_CCSDT_6-31+G(d).dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.70          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.44          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.09          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.38          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.70          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.44          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.09          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.38          _              _            false
diff --git a/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat
index 3dea8514..3ac6821d 100644
--- a/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.69          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.39          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.19          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.31          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.69          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.39          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.19          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.31          _              _            false
diff --git a/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat
index 9b8cf97f..58f63976 100644
--- a/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.60          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.33          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.19          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.26          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.60          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.33          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.19          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.26          _              _            false
diff --git a/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat
index c2a78982..f1efa95f 100644
--- a/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.61          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.57          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.11          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.45          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.57          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.11          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.45          _              _            false
diff --git a/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat
index 688ccfe3..b8c8f5ea 100644
--- a/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.59          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.20          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.09          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.24          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.59          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.20          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.09          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.24          _              _            false
diff --git a/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat
index 5ade2927..eb36a181 100644
--- a/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.36          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.27          _              _            false
-  1       1     A_1        1       3     B_1          _                                       0.84          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.17          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.36          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.27          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         0.84          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.17          _              _            false
diff --git a/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat b/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat
index 42b0b999..fb0d5f3b 100644
--- a/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.68          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.46          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.22          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.36          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.68          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.46          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.22          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.36          _              _            false
diff --git a/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat b/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat
index 544352ba..44c534c1 100644
--- a/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       3     B_1          _                                       1.22          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.22          _              _            false
diff --git a/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index cdd36207..ce10df9b 100644
--- a/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.64          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.50          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.23          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.46          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.64          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.50          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.23          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.46          _              _            false
diff --git a/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index bfb6382b..37d765ac 100644
--- a/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.44          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.29          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.06          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.29          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.06          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
diff --git a/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index cba3d98e..8cab9423 100644
--- a/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.58          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.50          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.16          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.58          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.50          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.16          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.48          _              _            false
diff --git a/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index 428195a6..68dbd813 100644
--- a/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.67          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.61          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.27          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.59          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.67          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.61          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.27          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.59          _              _            false
diff --git a/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat
index e9c0074a..360bc8b8 100644
--- a/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,6 +8,6 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.35          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.33          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.23          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.35          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.33          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.23          _              _            false
diff --git a/static/data/abs/ccl2_TBE(Full)_CBS.dat b/static/data/abs/ccl2_TBE(Full)_CBS.dat
index d45822c6..c4066a17 100644
--- a/static/data/abs/ccl2_TBE(Full)_CBS.dat
+++ b/static/data/abs/ccl2_TBE(Full)_CBS.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.57          _              _            false
-  1       1     A_1        1       1     A_2          _                                       4.41          _              _            false
-  1       1     A_1        1       3     B_1          _                                       1.23          _              _            false
-  1       1     A_1        1       3     A_2          _                                       4.32          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.57          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.41          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.23          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.32          _              _            false
diff --git a/static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat b/static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat
index ac2e807d..28df4700 100644
--- a/static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       2.59          93.7           _            false
-  1       1     A_1        1       1     A_2          _                                       4.40          88.3           _            false
-  1       1     A_1        1       3     B_1          _                                       1.22          98.6           _            false
-  1       1     A_1        1       3     A_2          _                                       4.31          96.1           _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.59          93.7           _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.40          88.3           _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.22          98.6           _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.31          96.1           _            false
diff --git a/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat
index bda4e5fa..2b8bea83 100644
--- a/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       4.94          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.54          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.94          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.54          _              _            false
diff --git a/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat
index 7ab19249..555b1662 100644
--- a/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       4.90          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.51          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.51          _              _            false
diff --git a/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat
index 39b54687..333f3db6 100644
--- a/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       4.86          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.86          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          _              _            false
diff --git a/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat
index ce2085c9..1dbca8c5 100644
--- a/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.09          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.70          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.09          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.70          _              _            false
diff --git a/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat
index 16787b37..a03e15dc 100644
--- a/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.02          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.75          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.02          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.75          _              _            false
diff --git a/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat
index d4d91ded..fec747d5 100644
--- a/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.02          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.75          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.02          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.75          _              _            false
diff --git a/static/data/abs/cf2_CC3_6-31+G(d).dat b/static/data/abs/cf2_CC3_6-31+G(d).dat
index 15e98330..c9b99fcb 100644
--- a/static/data/abs/cf2_CC3_6-31+G(d).dat
+++ b/static/data/abs/cf2_CC3_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.18          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.18          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
diff --git a/static/data/abs/cf2_CC3_aug-cc-pV5Z.dat b/static/data/abs/cf2_CC3_aug-cc-pV5Z.dat
index f915a16a..1a78a540 100644
--- a/static/data/abs/cf2_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/cf2_CC3_aug-cc-pV5Z.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.05          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.77          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.05          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.77          _              _            false
diff --git a/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat b/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat
index 4f682496..31255611 100644
--- a/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.12          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.12          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
diff --git a/static/data/abs/cf2_CC3_aug-cc-pVQZ.dat b/static/data/abs/cf2_CC3_aug-cc-pVQZ.dat
index 83b9e84c..3e15684b 100644
--- a/static/data/abs/cf2_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/cf2_CC3_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.06          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.77          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.77          _              _            false
diff --git a/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat
index f543aa93..333aba02 100644
--- a/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.07          _              0.034        false
-  1       1     A_1        1       3     B_1          _                                       2.76          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.07          _              0.034        false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.76          _              _            false
diff --git a/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat
index d9725fac..14e3dbde 100644
--- a/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.07          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.07          _              _            false
diff --git a/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat
index aa892251..0949b409 100644
--- a/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.08          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.08          _              _            false
diff --git a/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat b/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat
index e3142bd5..8549e88e 100644
--- a/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.18          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.18          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
diff --git a/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat
index c721a917..aeb112d3 100644
--- a/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.11          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.11          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
diff --git a/static/data/abs/cf2_CCSDT_6-31+G(d).dat b/static/data/abs/cf2_CCSDT_6-31+G(d).dat
index 9b096984..f0da737b 100644
--- a/static/data/abs/cf2_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/cf2_CCSDT_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.18          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.70          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.18          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.70          _              _            false
diff --git a/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat
index 19224a5e..88056468 100644
--- a/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.11          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.70          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.11          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.70          _              _            false
diff --git a/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat
index f5a67733..ca767882 100644
--- a/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.06          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.75          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.75          _              _            false
diff --git a/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat
index f0562c91..49cbc3ed 100644
--- a/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.09          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.69          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.09          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.69          _              _            false
diff --git a/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat
index 27805ec2..5b9f82f7 100644
--- a/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.06          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.63          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.63          _              _            false
diff --git a/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat
index 9bb99648..ea0de476 100644
--- a/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       4.90          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.47          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.47          _              _            false
diff --git a/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat b/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat
index 9c37cb92..f90e3b7b 100644
--- a/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.12          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.12          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
diff --git a/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat b/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat
index a15628e3..75461cf9 100644
--- a/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.09          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.77          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.09          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.77          _              _            false
diff --git a/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index fe5e9df8..afd3a53b 100644
--- a/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.13          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.79          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.13          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.79          _              _            false
diff --git a/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index 95d37d8b..57061b89 100644
--- a/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       4.89          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.64          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.64          _              _            false
diff --git a/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 3d6f68f4..9ec668d4 100644
--- a/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.05          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.74          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.05          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.74          _              _            false
diff --git a/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index 8604897e..acdf4157 100644
--- a/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.15          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.84          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.15          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.84          _              _            false
diff --git a/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat
index 0d36c33f..cf89afba 100644
--- a/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       4.90          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.61          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              _            false
diff --git a/static/data/abs/cf2_TBE(Full)_CBS.dat b/static/data/abs/cf2_TBE(Full)_CBS.dat
index 911b79bd..25f5f158 100644
--- a/static/data/abs/cf2_TBE(Full)_CBS.dat
+++ b/static/data/abs/cf2_TBE(Full)_CBS.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.07          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.78          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.07          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.78          _              _            false
diff --git a/static/data/abs/cf2_TBE_aug-cc-pVTZ.dat b/static/data/abs/cf2_TBE_aug-cc-pVTZ.dat
index 85d1e498..323f49cb 100644
--- a/static/data/abs/cf2_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_TBE_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       5.09          94.7           _            false
-  1       1     A_1        1       3     B_1          _                                       2.77          99.1           _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.09          94.7           _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.77          99.1           _            false
diff --git a/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat
index 828b1981..06eeffa4 100644
--- a/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_ADC(2)_aug-cc-pVTZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.74          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.19          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.42          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.01          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.72          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.97          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.19          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.42          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.01          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.97          _              _            false
diff --git a/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat
index 59fd220f..31e87b6b 100644
--- a/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.63          _              _            false
-  1       1     A_1        1       1     A_2          _                                       6.95          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.46          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.89          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.38          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.72          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.63          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.95          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.46          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    2.89          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.38          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
diff --git a/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat
index 03514135..162b709c 100644
--- a/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_ADC(3)_aug-cc-pVTZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.52          _              _            false
-  1       1     A_1        1       1     A_2          _                                       6.70          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.50          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.77          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.04          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.47          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.52          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.70          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.50          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    2.77          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.04          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.47          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat
index 22318349..9a539021 100644
--- a/static/data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CC2_aug-cc-pVTZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.74          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.19          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.29          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.03          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.77          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.99          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.19          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.29          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.77          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.99          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CC3_6-31+G(d).dat b/static/data/abs/difluorodiazirine_CC3_6-31+G(d).dat
index 1893f7cd..80abf11a 100644
--- a/static/data/abs/difluorodiazirine_CC3_6-31+G(d).dat
+++ b/static/data/abs/difluorodiazirine_CC3_6-31+G(d).dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.83          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.13          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.51          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.09          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.48          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.86          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.83          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.13          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.51          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.09          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.48          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.86          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat b/static/data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat
index c28751a3..7985983a 100644
--- a/static/data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/difluorodiazirine_CC3_aug-cc-pVDZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.80          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.11          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.45          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.06          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.47          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.83          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.80          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.11          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.45          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.06          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.47          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CC3_aug-cc-pVQZ.dat b/static/data/abs/difluorodiazirine_CC3_aug-cc-pVQZ.dat
index a4c51897..ef1f55a5 100644
--- a/static/data/abs/difluorodiazirine_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/difluorodiazirine_CC3_aug-cc-pVQZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.73          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.00          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.52          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.03          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.47          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.82          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.73          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.00          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.52          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.47          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.82          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat
index 4ddbf51f..9bb732f7 100644
--- a/static/data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CC3_aug-cc-pVTZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.74          _              0.002        false
-  1       1     A_1        1       1     B_2          _                                       8.50          _              0.026        false
-  1       1     A_1        1       1     A_2          _                                       7.02          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.03          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.45          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.81          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          _              0.002        false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.50          _              0.026        false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.02          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.45          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.81          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat
index 16c1253a..010f0151 100644
--- a/static/data/abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,6 +8,6 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.76          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.05          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.55          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.76          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.05          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.55          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat
index 707b1e5c..bf3c51a5 100644
--- a/static/data/abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,6 +8,6 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.75          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.02          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.55          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.75          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.02          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.55          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat b/static/data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat
index 3d63862a..60f2b3de 100644
--- a/static/data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/difluorodiazirine_CCSDT_6-31+G(d).dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.83          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.11          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.52          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.09          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.48          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.85          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.83          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.11          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.52          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.09          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.48          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.85          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat
index fdcc4d1f..9f59ebf5 100644
--- a/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVDZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.80          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.08          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.46          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.06          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.46          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.82          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.80          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.08          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.46          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.06          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.46          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.82          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat
index c21927e6..f3677684 100644
--- a/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCSDT_aug-cc-pVTZ.dat
@@ -8,6 +8,6 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.74          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.00          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.52          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.00          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.52          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat
index a1aa58de..e6c74bbd 100644
--- a/static/data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCSD_aug-cc-pVTZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.83          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.10          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.69          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.07          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.40          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.84          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.83          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.10          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.69          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.07          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.40          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.84          _              _            false
diff --git a/static/data/abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat
index fb3a9602..9c4c12f0 100644
--- a/static/data/abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CIS(D)_aug-cc-pVTZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.89          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.46          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.53          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.17          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.89          _              _            false
-  1       1     A_1        2       3     B_1          _                                       6.13          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.89          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.46          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.53          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.17          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.89          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.13          _              _            false
diff --git a/static/data/abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat
index 33a0ee5e..93dae177 100644
--- a/static/data/abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.94          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.24          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.90          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.17          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.97          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.94          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.24          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.17          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.97          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.71          _              _            false
diff --git a/static/data/abs/difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index dbddf057..e14931b3 100644
--- a/static/data/abs/difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/difluorodiazirine_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.90          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.25          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.65          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.23          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.63          _              _            false
-  1       1     A_1        2       3     B_1          _                                       6.13          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.90          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.25          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.65          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.23          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.63          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.13          _              _            false
diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index dd9dd80f..2ec502b5 100644
--- a/static/data/abs/difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.77          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.10          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.77          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.14          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.41          _              _            false
-  1       1     A_1        2       3     B_1          _                                       6.05          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.77          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.10          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.77          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.14          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.41          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.05          _              _            false
diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index bd1cf1ac..3372a8ca 100644
--- a/static/data/abs/difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.97          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.29          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.95          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.32          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.53          _              _            false
-  1       1     A_1        2       3     B_1          _                                       6.20          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.97          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.29          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.95          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.32          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.53          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.20          _              _            false
diff --git a/static/data/abs/difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index b47d50fd..0d5c6879 100644
--- a/static/data/abs/difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/difluorodiazirine_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.97          _              _            false
-  1       1     A_1        1       1     A_2          _                                       7.28          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.82          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.33          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.55          _              _            false
-  1       1     A_1        2       3     B_1          _                                       6.21          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.97          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.28          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.82          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.33          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.55          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.21          _              _            false
diff --git a/static/data/abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat
index db254ca7..b723e0e9 100644
--- a/static/data/abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,6 +8,6 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.56          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.91          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.59          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.56          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    2.91          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.59          _              _            false
diff --git a/static/data/abs/difluorodiazirine_TBE(Full)_CBS.dat b/static/data/abs/difluorodiazirine_TBE(Full)_CBS.dat
index 1e3ddc2f..199a765e 100644
--- a/static/data/abs/difluorodiazirine_TBE(Full)_CBS.dat
+++ b/static/data/abs/difluorodiazirine_TBE(Full)_CBS.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.73          _              _            false
-  1       1     A_1        1       1     A_2          _                                       6.98          _              _            false
-  1       1     A_1        1       1     B_2          _                                       8.54          _              _            false
-  1       1     A_1        1       3     B_1          _                                       3.03          _              _            false
-  1       1     A_1        1       3     B_2          _                                       5.46          _              _            false
-  1       1     A_1        2       3     B_1          _                                       5.81          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.73          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.98          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.54          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          _              _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.46          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.81          _              _            false
diff --git a/static/data/abs/difluorodiazirine_TBE_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_TBE_aug-cc-pVTZ.dat
index abc18ed8..c8004a48 100644
--- a/static/data/abs/difluorodiazirine_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_TBE_aug-cc-pVTZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.74          93.1           _            false
-  1       1     A_1        1       1     A_2          _                                       7.00          91.4           _            false
-  1       1     A_1        1       1     B_2          _                                       8.52          93.3           _            false
-  1       1     A_1        1       3     B_1          _                                       3.03          98.2           _            false
-  1       1     A_1        1       3     B_2          _                                       5.44          98.9           _            false
-  1       1     A_1        2       3     B_1          _                                       5.80          98.4           _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.74          93.1           _            false
+  1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.00          91.4           _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.52          93.3           _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.03          98.2           _            false
+  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.44          98.9           _            false
+  1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.80          98.4           _            false
diff --git a/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat
index aa50470e..d56fd3a1 100644
--- a/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.26         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.79         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.99         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.32         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.32         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.07         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            14.00         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         14.00         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.15          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.20          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.25          _              _            false
diff --git a/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat b/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat
index 49a04161..61550f2a 100644
--- a/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.26         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.79         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.99         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.32         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.32         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.07         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            14.00         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         14.00         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.15          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.20          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.25          _              _            false
diff --git a/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat
index 704d949e..aef3b4d6 100644
--- a/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.79          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.00         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.15         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.15         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.08         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.70         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.70         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    7.98          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.80          _              _            false
diff --git a/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat b/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat
index fb793ce8..d371e540 100644
--- a/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.79          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.00         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.15         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.15         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.08         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.70         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.70         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    7.98          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.80          _              _            false
diff --git a/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat
index 08871cde..73e3f2ac 100644
--- a/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.33          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.74          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.01         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.98         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.98         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.40         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.40         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.25          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    7.77          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.36          _              _            false
diff --git a/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat b/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat
index da46f5c3..c313c3e5 100644
--- a/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.33          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.74          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.01         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.98         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.98         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.40         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.40         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.25          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    7.77          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.36          _              _            false
diff --git a/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat
index fcfea64b..401c1d84 100644
--- a/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.32         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.86         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.83         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.15         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.15         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            12.89         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.96         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.96         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.19          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.19          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.30          _              _            false
diff --git a/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat b/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat
index 5f1a6d3a..49e03b85 100644
--- a/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.32         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.86         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.83         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.15         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.15         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            12.89         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.96         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.96         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.19          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.19          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.30          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat b/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat
index b4f8a3cd..5223e6e5 100644
--- a/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat
+++ b/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.86          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.77         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.08         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.08         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 13.06         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.34         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.34         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat
index f93bef89..9675c8b0 100644
--- a/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.91         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.16         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.16         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 13.10         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.40         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.40         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.03          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.86          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat b/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat
index 1090d14a..d577ed8d 100644
--- a/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat
+++ b/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.86          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.31         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.92         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.92         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.98         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.30         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.30         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat
index 19429789..ebe275f7 100644
--- a/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.28         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.90         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.90         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.96         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.31         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.31         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.03          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.86          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat
index 0c9d05a0..e2d912fa 100644
--- a/static/data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.28         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.90         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.90         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.96         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.31         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.31         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.03          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.86          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_6-31+G(d).dat b/static/data/abs/dinitrogen_CC3_6-31+G(d).dat
index 6abbfcc3..ede2ce06 100644
--- a/static/data/abs/dinitrogen_CC3_6-31+G(d).dat
+++ b/static/data/abs/dinitrogen_CC3_6-31+G(d).dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.10         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.47         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.29         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.44         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.44         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.51         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.85         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.85         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.68          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.10          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.99          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat
index af89582a..99a62f9a 100644
--- a/static/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             10.06         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.23         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.28         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.28         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.14         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.64         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.64         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.67          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.07          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.97          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat
index 812775f1..bf6fcd6c 100644
--- a/static/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.90         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.17         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.17         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.42         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.42         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat
index 7432d529..2735a3f9 100644
--- a/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.88          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.29         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.01         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.22         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.22         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.12         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.49         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.49         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.68          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat b/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat
index f02a84ea..d40c0a04 100644
--- a/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.88          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.29         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.01         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.22         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.22         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.12         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.49         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.49         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.68          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat
index 8e6947e6..ca1a66a5 100644
--- a/static/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.27         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.89         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.89         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.94         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.34         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.34         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat
index cdcd0150..c85fab9f 100644
--- a/static/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.27         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.89         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.89         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.94         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.34         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.34         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat
index 609e2ac6..a5a0679d 100644
--- a/static/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat
@@ -12,6 +12,6 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.90          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.33         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.04         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.28         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.28         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.14         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.52         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.52         _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat
index e91da60a..c2a64c06 100644
--- a/static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat
@@ -12,5 +12,5 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.89          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.31         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.06         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.27         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.16         _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
index a0b5787c..2d5ab17a 100644
--- a/static/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
+++ b/static/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             10.05         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.18         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.13         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.13         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.11         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.56         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.56         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.05          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.96          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat b/static/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat
index 57a487f1..9185a4ab 100644
--- a/static/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.10         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.47         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.23         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.28         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.28         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.48         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.79         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.79         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.08          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.99          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
index 2f40f8d9..4e228175 100644
--- a/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             10.06         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.18         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.13         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.13         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.11         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.56         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.56         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.69          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.05          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.96          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
index 813d6417..a321dbfd 100644
--- a/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.88          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.29         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.97         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.09         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.09         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.42         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.42         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.02          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDT_6-31+G(d).dat b/static/data/abs/dinitrogen_CCSDT_6-31+G(d).dat
index a785db5b..cce60c05 100644
--- a/static/data/abs/dinitrogen_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/dinitrogen_CCSDT_6-31+G(d).dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.10         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.48         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.26         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.32         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.32         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.51         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.82         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.82         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.68          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.09          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.99          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat
index 33df116f..64218e4a 100644
--- a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             10.06         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.44         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.20         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.17         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.17         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.13         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.59         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.59         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.68          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.06          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.96          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat
index 19f754be..cf415b16 100644
--- a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat
@@ -13,7 +13,7 @@
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.28         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.89         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.37         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.37         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat
index 66ec7b1f..752f8dab 100644
--- a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.89          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.00         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.14         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.14         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.12         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.45         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.45         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.69          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.03          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat
index 02d963f5..e1de74fc 100644
--- a/static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.00         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.44         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.15         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.43         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.26         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.67         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.67         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.66          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.09          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.91          _              _            false
diff --git a/static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat
index 341f0f1e..021d6f1c 100644
--- a/static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.31         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.85         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.67         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.64         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.64         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.75         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            14.52         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         14.52         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.20          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.33          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.30          _              _            false
diff --git a/static/data/abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat
index 06a12f85..dfc14512 100644
--- a/static/data/abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.26         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.79         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.99         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.33         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.33         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.07         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.99         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.99         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.15          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.20          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.25          _              _            false
diff --git a/static/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat
index 4ee79932..14845831 100644
--- a/static/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             10.05         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.18         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.12         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.12         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.11         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.56         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.56         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.05          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.96          _              _            false
diff --git a/static/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat
index 5a74fd3c..6ca4da6a 100644
--- a/static/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             9.92          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.31         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.89         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.1          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.1          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.2          _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.7          _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.7          _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.74          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.03          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.88          _              _            false
diff --git a/static/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat
index 4f227666..15d6ce68 100644
--- a/static/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             9.88          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.29         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.98         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.03         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.03         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.46         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.46         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.01          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat
index 590b740c..8ecf30cc 100644
--- a/static/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.09         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.56         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.13         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.43         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.22         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.73         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.73         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.16          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.94          _              _            false
diff --git a/static/data/abs/dinitrogen_TBE(Full)_CBS.dat b/static/data/abs/dinitrogen_TBE(Full)_CBS.dat
index d4f41d71..4b9050e1 100644
--- a/static/data/abs/dinitrogen_TBE(Full)_CBS.dat
+++ b/static/data/abs/dinitrogen_TBE(Full)_CBS.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.91          97.2           _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.31         95.9           0.000        false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.30         92.2           _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.73         82.9           0.458        false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.73         82.9           0.458        false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.95         92.8           0.296        false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.27         87.4           0.000        false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.27         87.4           0.000        false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.74          99.3           _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.03          98.4           _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.88          99.3           _            false
diff --git a/static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat
index 17e240fa..57651447 100644
--- a/static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.88          97.2           _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.29         95.9           0.000        false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.98         92.2           _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.03         82.9           0.458        false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.03         82.9           0.458        false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 13.09         92.8           0.296        false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.46         87.4           0.000        false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.46         87.4           0.000        false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          99.3           _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.01          98.4           _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.87          99.3           _            false
diff --git a/static/data/abs/dinitrogen_exp.dat b/static/data/abs/dinitrogen_exp.dat
index ffc87509..251985a2 100644
--- a/static/data/abs/dinitrogen_exp.dat
+++ b/static/data/abs/dinitrogen_exp.dat
@@ -11,9 +11,9 @@
   1       1     \Sigma_g   1       1     \Pi_g        (n \rightarrow \pi^\star)               9.31          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             9.92          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.27         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.78         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.78         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            12.96         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.10         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.10         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.75          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.88          _              _            false
diff --git a/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat
index 4c4c9d9c..c6f587df 100644
--- a/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_ADC(2)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.91          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.50          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.91          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.50          _              _            false
diff --git a/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
index 1f51c337..1b812c69 100644
--- a/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.92          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.52          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.92          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.52          _              _            false
diff --git a/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat
index fc9e158a..9cc77207 100644
--- a/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_ADC(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.93          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.54          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.93          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.54          _              _            false
diff --git a/static/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat
index 1607b8c3..1a22477c 100644
--- a/static/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.14          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.70          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.14          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.70          _              _            false
diff --git a/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat
index 3626bcee..ae0a0462 100644
--- a/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.97          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.61          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.97          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.61          _              _            false
diff --git a/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat
index 57430dc2..3370a150 100644
--- a/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/formylfluoride_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.98          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.62          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.98          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.62          _              _            false
diff --git a/static/data/abs/formylfluoride_CC3_6-31+G(d).dat b/static/data/abs/formylfluoride_CC3_6-31+G(d).dat
index 90385dc5..405e738f 100644
--- a/static/data/abs/formylfluoride_CC3_6-31+G(d).dat
+++ b/static/data/abs/formylfluoride_CC3_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.09          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.72          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.09          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.72          _              _            false
diff --git a/static/data/abs/formylfluoride_CC3_aug-cc-pV5Z.dat b/static/data/abs/formylfluoride_CC3_aug-cc-pV5Z.dat
index 285babf3..e2110afb 100644
--- a/static/data/abs/formylfluoride_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/formylfluoride_CC3_aug-cc-pV5Z.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.00          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.64          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.00          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.64          _              _            false
diff --git a/static/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat b/static/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat
index d7c24570..a0abaf71 100644
--- a/static/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/formylfluoride_CC3_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.03          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.65          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.03          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.65          _              _            false
diff --git a/static/data/abs/formylfluoride_CC3_aug-cc-pVQZ.dat b/static/data/abs/formylfluoride_CC3_aug-cc-pVQZ.dat
index 2dc4adc6..028b61e8 100644
--- a/static/data/abs/formylfluoride_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/formylfluoride_CC3_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.99          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.63          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.99          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.63          _              _            false
diff --git a/static/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat
index bf73fffc..1c4450ea 100644
--- a/static/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CC3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.99          _              0.001        false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.62          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.99          _              0.001        false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.62          _              _            false
diff --git a/static/data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat
index d866c47c..5a262777 100644
--- a/static/data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.99          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.99          _              _            false
diff --git a/static/data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat
index a6981fa2..54a59d35 100644
--- a/static/data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.00          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.00          _              _            false
diff --git a/static/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat b/static/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat
index cee572a6..4df0aba7 100644
--- a/static/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/formylfluoride_CCSDTQ_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.07          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.71          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.07          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.71          _              _            false
diff --git a/static/data/abs/formylfluoride_CCSDT_6-31+G(d).dat b/static/data/abs/formylfluoride_CCSDT_6-31+G(d).dat
index c8641aa1..0343bd4f 100644
--- a/static/data/abs/formylfluoride_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/formylfluoride_CCSDT_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.06          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.70          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.06          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.70          _              _            false
diff --git a/static/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat
index 36d84f18..2c413c18 100644
--- a/static/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/formylfluoride_CCSDT_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.00          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.62          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.00          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.62          _              _            false
diff --git a/static/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat
index 061a2e8d..af09e25c 100644
--- a/static/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CCSDT_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.96          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.60          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.96          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.60          _              _            false
diff --git a/static/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat
index 4aada505..def65c63 100644
--- a/static/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.02          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.60          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.02          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.60          _              _            false
diff --git a/static/data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat
index 21ef2026..b976b859 100644
--- a/static/data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CIS(D)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.03          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.63          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.03          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.63          _              _            false
diff --git a/static/data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat
index 4875aa53..dae9fee2 100644
--- a/static/data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.00          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.60          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.00          _              _            false
+  1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.60          _              _            false
diff --git a/static/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat b/static/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat
index 55d90547..252a67b9 100644
--- a/static/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/formylfluoride_FCI_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.00          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.65          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.00          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.65          _              _            false
diff --git a/static/data/abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index 7cbbf2eb..630a9107 100644
--- a/static/data/abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/formylfluoride_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.17          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.80          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.17          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.80          _              _            false
diff --git a/static/data/abs/formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index 2605d383..8a1598b7 100644
--- a/static/data/abs/formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/formylfluoride_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.78          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.48          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.78          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.48          _              _            false
diff --git a/static/data/abs/formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 73b2b618..523585ae 100644
--- a/static/data/abs/formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/formylfluoride_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.99          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.67          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.99          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.67          _              _            false
diff --git a/static/data/abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index ebc12781..f13eb356 100644
--- a/static/data/abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/formylfluoride_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       6.19          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.85          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.19          _              _            false
+  1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.85          _              _            false
diff --git a/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
index d57c2e4c..5ab75e72 100644
--- a/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
@@ -9,4 +9,4 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.19          _              _            false
-  1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.85          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.85          _              _            false
diff --git a/static/data/abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat
index 74e80580..2af8638d 100644
--- a/static/data/abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.88          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.51          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.88          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.51          _              _            false
diff --git a/static/data/abs/formylfluoride_TBE(Full)_CBS.dat b/static/data/abs/formylfluoride_TBE(Full)_CBS.dat
index 4082cc0b..52df7387 100644
--- a/static/data/abs/formylfluoride_TBE(Full)_CBS.dat
+++ b/static/data/abs/formylfluoride_TBE(Full)_CBS.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.97          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.75          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.97          _              _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.75          _              _            false
diff --git a/static/data/abs/formylfluoride_TBE_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_TBE_aug-cc-pVTZ.dat
index c41972e0..3fec94b4 100644
--- a/static/data/abs/formylfluoride_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_TBE_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       5.96          91.2           _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} _                                       5.73          97.9           _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.96          91.2           _            false
+  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.73          97.9           _            false
diff --git a/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat
index 0d865817..7220b188 100644
--- a/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_ADC(2)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.02          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.33          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.69          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.39          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.02          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.69          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
diff --git a/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat
index 3e405c83..1df6c45d 100644
--- a/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.70          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.00          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.40          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.09          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.70          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.00          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.40          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.09          _              _            false
diff --git a/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat
index 89b5e111..38133c83 100644
--- a/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_ADC(3)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.37          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       4.66          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.10          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       3.79          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.37          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.66          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.10          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  3.79          _              _            false
diff --git a/static/data/abs/hcp_CC2_aug-cc-pVTZ.dat b/static/data/abs/hcp_CC2_aug-cc-pVTZ.dat
index 677c75eb..f1dbf54d 100644
--- a/static/data/abs/hcp_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CC2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.07          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.41          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.73          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.43          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.07          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.41          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.73          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.43          _              _            false
diff --git a/static/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat
index c5be365a..8d7e2041 100644
--- a/static/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/hcp_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.81          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.09          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.44          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.20          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.81          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.09          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.44          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.20          _              _            false
diff --git a/static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat
index 9019619e..f9f2ad21 100644
--- a/static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hcp_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.82          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.11          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.46          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.20          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.82          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.11          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.46          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.20          _              _            false
diff --git a/static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat
index b5bbc383..fc565d5d 100644
--- a/static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hcp_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.83          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.11          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.46          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.21          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.83          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.11          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.46          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.21          _              _            false
diff --git a/static/data/abs/hcp_CC3_6-31+G(d).dat b/static/data/abs/hcp_CC3_6-31+G(d).dat
index 1c2c5bc2..ed7430e3 100644
--- a/static/data/abs/hcp_CC3_6-31+G(d).dat
+++ b/static/data/abs/hcp_CC3_6-31+G(d).dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.19          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.48          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.44          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.40          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.19          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.48          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.44          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.40          _              _            false
diff --git a/static/data/abs/hcp_CC3_aug-cc-pV5Z.dat b/static/data/abs/hcp_CC3_aug-cc-pV5Z.dat
index d84359e9..7d5875fc 100644
--- a/static/data/abs/hcp_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/hcp_CC3_aug-cc-pV5Z.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.82          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.10          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.47          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.20          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.82          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.10          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.47          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.20          _              _            false
diff --git a/static/data/abs/hcp_CC3_aug-cc-pVDZ.dat b/static/data/abs/hcp_CC3_aug-cc-pVDZ.dat
index aaab5078..e33bc374 100644
--- a/static/data/abs/hcp_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/hcp_CC3_aug-cc-pVDZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.06          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.33          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.47          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.35          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.06          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.47          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.35          _              _            false
diff --git a/static/data/abs/hcp_CC3_aug-cc-pVQZ.dat b/static/data/abs/hcp_CC3_aug-cc-pVQZ.dat
index fe364069..e8cedf45 100644
--- a/static/data/abs/hcp_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/hcp_CC3_aug-cc-pVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.83          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.12          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.46          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.21          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.83          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.12          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.46          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.21          _              _            false
diff --git a/static/data/abs/hcp_CC3_aug-cc-pVTZ.dat b/static/data/abs/hcp_CC3_aug-cc-pVTZ.dat
index 993ef665..4d181779 100644
--- a/static/data/abs/hcp_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CC3_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.85          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.15          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.45          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.22          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.85          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.15          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.45          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.22          _              _            false
diff --git a/static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat
index 1aefa7bd..282cb12c 100644
--- a/static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.85          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.16          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.85          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.16          _              _            false
diff --git a/static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat
index cf6f1d84..5cb2294a 100644
--- a/static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.84          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.14          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.84          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.14          _              _            false
diff --git a/static/data/abs/hcp_CCSDTQP_6-31+G(d).dat b/static/data/abs/hcp_CCSDTQP_6-31+G(d).dat
index d723cb0f..0b8b7cfa 100644
--- a/static/data/abs/hcp_CCSDTQP_6-31+G(d).dat
+++ b/static/data/abs/hcp_CCSDTQP_6-31+G(d).dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.18          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.48          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.46          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.39          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.18          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.48          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.46          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
diff --git a/static/data/abs/hcp_CCSDTQ_6-31+G(d).dat b/static/data/abs/hcp_CCSDTQ_6-31+G(d).dat
index 9bf7d6eb..fca42ca2 100644
--- a/static/data/abs/hcp_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/hcp_CCSDTQ_6-31+G(d).dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.18          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.48          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.46          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.39          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.18          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.48          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.46          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
diff --git a/static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat
index d2515bd9..58239ffa 100644
--- a/static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/hcp_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.04          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.32          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.49          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.34          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.04          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.32          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.49          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.34          _              _            false
diff --git a/static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat
index 8b7d0465..5db8de82 100644
--- a/static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CCSDTQ_aug-cc-pVTZ.dat
@@ -8,6 +8,6 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.84          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.46          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.21          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.84          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.46          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.21          _              _            false
diff --git a/static/data/abs/hcp_CCSDT_6-31+G(d).dat b/static/data/abs/hcp_CCSDT_6-31+G(d).dat
index 98d410dd..509eac75 100644
--- a/static/data/abs/hcp_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/hcp_CCSDT_6-31+G(d).dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.19          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.48          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.45          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.39          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.19          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.48          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.45          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
diff --git a/static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat
index ac9fbeb0..dad74b0e 100644
--- a/static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/hcp_CCSDT_aug-cc-pVDZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.05          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.33          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.47          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.34          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.05          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.47          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.34          _              _            false
diff --git a/static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat
index fd8acf0f..586919b6 100644
--- a/static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CCSDT_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.85          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.15          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.45          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.21          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.85          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.15          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.45          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.21          _              _            false
diff --git a/static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat
index 726ef31f..0a8e6e5a 100644
--- a/static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CCSD_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.87          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.16          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.36          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.17          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.87          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.16          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.36          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.17          _              _            false
diff --git a/static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat
index 27fd5542..c718b501 100644
--- a/static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CIS(D)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.07          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.40          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.74          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.44          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.07          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.40          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.74          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.44          _              _            false
diff --git a/static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat
index 0284a5c7..748ba371 100644
--- a/static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.83          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.12          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.55          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.23          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.83          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.12          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.55          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.23          _              _            false
diff --git a/static/data/abs/hcp_FCI_aug-cc-pVDZ.dat b/static/data/abs/hcp_FCI_aug-cc-pVDZ.dat
index 065fbb0f..a7eeed01 100644
--- a/static/data/abs/hcp_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/hcp_FCI_aug-cc-pVDZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.04          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.32          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.49          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.34          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.04          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.32          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.49          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.34          _              _            false
diff --git a/static/data/abs/hcp_FCI_aug-cc-pVTZ.dat b/static/data/abs/hcp_FCI_aug-cc-pVTZ.dat
index 8c8bc00b..dbc95c12 100644
--- a/static/data/abs/hcp_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_FCI_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.84          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.15          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.47          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.22          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.84          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.15          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.47          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.22          _              _            false
diff --git a/static/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index 2a2ec48a..e75eab89 100644
--- a/static/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hcp_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.07          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.33          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.50          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.49          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.07          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.50          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
diff --git a/static/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index 4e25b9f4..b738e95e 100644
--- a/static/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hcp_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.91          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.12          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.30          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.39          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.91          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.12          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.30          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
diff --git a/static/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index c2f6e7ba..992349d9 100644
--- a/static/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hcp_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.02          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.23          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.37          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.47          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.02          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.23          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.37          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.47          _              _            false
diff --git a/static/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index c1dbdbc9..717448c7 100644
--- a/static/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hcp_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       5.07          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.29          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.38          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.52          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.07          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.29          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.38          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.52          _              _            false
diff --git a/static/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat
index 8df5ff45..7b683662 100644
--- a/static/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.90          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.22          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.41          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.20          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.90          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.41          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.20          _              _            false
diff --git a/static/data/abs/hcp_TBE(Full)_CBS.dat b/static/data/abs/hcp_TBE(Full)_CBS.dat
index 29be4697..ec2dc099 100644
--- a/static/data/abs/hcp_TBE(Full)_CBS.dat
+++ b/static/data/abs/hcp_TBE(Full)_CBS.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.81          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.10          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.49          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.20          _              _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.81          _              _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.10          _              _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.49          _              _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.20          _              _            false
diff --git a/static/data/abs/hcp_TBE_aug-cc-pVTZ.dat b/static/data/abs/hcp_TBE_aug-cc-pVTZ.dat
index ad26686c..b5723edb 100644
--- a/static/data/abs/hcp_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_TBE_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     _                                       4.84          94.9           _            false
-  1       1     \Sigma^+   1       1     \Delta       _                                       5.15          94.0           _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     _                                       3.47          98.9           _            false
-  1       1     \Sigma^+   1       3     \Delta       _                                       4.22          98.8           _            false
+  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  4.84          94.9           _            false
+  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.15          94.0           _            false
+  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  3.47          98.9           _            false
+  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.22          98.8           _            false
diff --git a/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat
index 53fb8865..9ff3d664 100644
--- a/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_ADC(2)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.35          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.35          _              _            false
diff --git a/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat
index d4a2393e..2f55f1a4 100644
--- a/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.35          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.35          _              _            false
diff --git a/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat
index abeedb49..8f7697af 100644
--- a/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_ADC(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.35          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.35          _              _            false
diff --git a/static/data/abs/hpo_CC2_aug-cc-pVTZ.dat b/static/data/abs/hpo_CC2_aug-cc-pVTZ.dat
index 0936ef07..2ade038f 100644
--- a/static/data/abs/hpo_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CC2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.50          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.50          _              _            false
diff --git a/static/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat
index b15b5a60..f7845540 100644
--- a/static/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/hpo_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.47          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.47          _              _            false
diff --git a/static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat
index f04856e5..73da2b12 100644
--- a/static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hpo_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.47          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.47          _              _            false
diff --git a/static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat
index ac1927ba..8e7a5195 100644
--- a/static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hpo_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.47          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.47          _              _            false
diff --git a/static/data/abs/hpo_CC3_6-31+G(d).dat b/static/data/abs/hpo_CC3_6-31+G(d).dat
index 69c6e4eb..ba6fbf6b 100644
--- a/static/data/abs/hpo_CC3_6-31+G(d).dat
+++ b/static/data/abs/hpo_CC3_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.49          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.49          _              _            false
diff --git a/static/data/abs/hpo_CC3_aug-cc-pV5Z.dat b/static/data/abs/hpo_CC3_aug-cc-pV5Z.dat
index f9e59f5e..615fa92d 100644
--- a/static/data/abs/hpo_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/hpo_CC3_aug-cc-pV5Z.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.48          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.48          _              _            false
diff --git a/static/data/abs/hpo_CC3_aug-cc-pVDZ.dat b/static/data/abs/hpo_CC3_aug-cc-pVDZ.dat
index 94dee9c4..fcdc14ea 100644
--- a/static/data/abs/hpo_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/hpo_CC3_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.47          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.47          _              _            false
diff --git a/static/data/abs/hpo_CC3_aug-cc-pVQZ.dat b/static/data/abs/hpo_CC3_aug-cc-pVQZ.dat
index 803172a5..7320fbdb 100644
--- a/static/data/abs/hpo_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/hpo_CC3_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.47          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.47          _              _            false
diff --git a/static/data/abs/hpo_CC3_aug-cc-pVTZ.dat b/static/data/abs/hpo_CC3_aug-cc-pVTZ.dat
index 6710f69d..d02e1a5a 100644
--- a/static/data/abs/hpo_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CC3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.46          _              0.003        false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.46          _              0.003        false
diff --git a/static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat
index 7f23e832..a105e18f 100644
--- a/static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.48          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.48          _              _            false
diff --git a/static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat
index ab7aac37..2256a3f1 100644
--- a/static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.48          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.48          _              _            false
diff --git a/static/data/abs/hpo_CCSDTQP_6-31+G(d).dat b/static/data/abs/hpo_CCSDTQP_6-31+G(d).dat
index 6f6fcdbe..907726d9 100644
--- a/static/data/abs/hpo_CCSDTQP_6-31+G(d).dat
+++ b/static/data/abs/hpo_CCSDTQP_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.48          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.48          _              _            false
diff --git a/static/data/abs/hpo_CCSDTQ_6-31+G(d).dat b/static/data/abs/hpo_CCSDTQ_6-31+G(d).dat
index bd12f45a..2bbd5ea6 100644
--- a/static/data/abs/hpo_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/hpo_CCSDTQ_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.48          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.48          _              _            false
diff --git a/static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat
index e8840941..d083d59f 100644
--- a/static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/hpo_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.46          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.46          _              _            false
diff --git a/static/data/abs/hpo_CCSDT_6-31+G(d).dat b/static/data/abs/hpo_CCSDT_6-31+G(d).dat
index 48c5e75a..3e9d3d2a 100644
--- a/static/data/abs/hpo_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/hpo_CCSDT_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.47          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.47          _              _            false
diff --git a/static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat
index ad930a3d..3bde4f7a 100644
--- a/static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/hpo_CCSDT_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.45          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.45          _              _            false
diff --git a/static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat
index 8682057f..29f9e3be 100644
--- a/static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CCSDT_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.46          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.46          _              _            false
diff --git a/static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat
index cde21b9b..01417fc3 100644
--- a/static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.54          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.54          _              _            false
diff --git a/static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat
index 3e52400b..87fd02e9 100644
--- a/static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CIS(D)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.54          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.54          _              _            false
diff --git a/static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat
index a5f22fac..6c86a564 100644
--- a/static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.44          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.44          _              _            false
diff --git a/static/data/abs/hpo_FCI_aug-cc-pVDZ.dat b/static/data/abs/hpo_FCI_aug-cc-pVDZ.dat
index cbb96bfc..9ea8111a 100644
--- a/static/data/abs/hpo_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/hpo_FCI_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.46          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.46          _              _            false
diff --git a/static/data/abs/hpo_FCI_aug-cc-pVTZ.dat b/static/data/abs/hpo_FCI_aug-cc-pVTZ.dat
index 2f66c614..37d8f928 100644
--- a/static/data/abs/hpo_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_FCI_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.47          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.47          _              _            false
diff --git a/static/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index 1804cfb6..44dfa7f1 100644
--- a/static/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hpo_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.62          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.62          _              _            false
diff --git a/static/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index 119d7450..e71c286b 100644
--- a/static/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hpo_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.39          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.39          _              _            false
diff --git a/static/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 74e477ba..04cf9888 100644
--- a/static/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hpo_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.57          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.57          _              _            false
diff --git a/static/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index 798038d4..6787fe0b 100644
--- a/static/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hpo_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.68          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.68          _              _            false
diff --git a/static/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat
index 709b4e2a..c5c151e6 100644
--- a/static/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.45          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.45          _              _            false
diff --git a/static/data/abs/hpo_TBE(Full)_CBS.dat b/static/data/abs/hpo_TBE(Full)_CBS.dat
index a16ab160..e69a0824 100644
--- a/static/data/abs/hpo_TBE(Full)_CBS.dat
+++ b/static/data/abs/hpo_TBE(Full)_CBS.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.49          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.49          _              _            false
diff --git a/static/data/abs/hpo_TBE_aug-cc-pVTZ.dat b/static/data/abs/hpo_TBE_aug-cc-pVTZ.dat
index d2abe931..58a9926d 100644
--- a/static/data/abs/hpo_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_TBE_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.47          90.9           _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    2.47          90.9           _            false
diff --git a/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat
index a1352d90..d5a8ce26 100644
--- a/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_ADC(2)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.62          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.62          _              _            false
diff --git a/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat
index 1e97e616..0b84493a 100644
--- a/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.51          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.51          _              _            false
diff --git a/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat
index 746e29a3..0146a3b6 100644
--- a/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_ADC(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.39          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.39          _              _            false
diff --git a/static/data/abs/hps_CC2_aug-cc-pVTZ.dat b/static/data/abs/hps_CC2_aug-cc-pVTZ.dat
index 0dca1526..d5c5bf22 100644
--- a/static/data/abs/hps_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CC2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.68          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.68          _              _            false
diff --git a/static/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat
index 37eae32a..1845e253 100644
--- a/static/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/hps_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.59          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.59          _              _            false
diff --git a/static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat
index cfd1c94e..5ba9830c 100644
--- a/static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hps_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.59          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.59          _              _            false
diff --git a/static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat
index 2b64bf6a..098186f8 100644
--- a/static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hps_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.59          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.59          _              _            false
diff --git a/static/data/abs/hps_CC3_6-31+G(d).dat b/static/data/abs/hps_CC3_6-31+G(d).dat
index 4a3b5187..45134437 100644
--- a/static/data/abs/hps_CC3_6-31+G(d).dat
+++ b/static/data/abs/hps_CC3_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.57          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.57          _              _            false
diff --git a/static/data/abs/hps_CC3_aug-cc-pV5Z.dat b/static/data/abs/hps_CC3_aug-cc-pV5Z.dat
index d5cec79a..8fe82f30 100644
--- a/static/data/abs/hps_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/hps_CC3_aug-cc-pV5Z.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.61          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.61          _              _            false
diff --git a/static/data/abs/hps_CC3_aug-cc-pVDZ.dat b/static/data/abs/hps_CC3_aug-cc-pVDZ.dat
index 18ecc41e..8e9acaa1 100644
--- a/static/data/abs/hps_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/hps_CC3_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.60          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.60          _              _            false
diff --git a/static/data/abs/hps_CC3_aug-cc-pVQZ.dat b/static/data/abs/hps_CC3_aug-cc-pVQZ.dat
index 24900ee4..dde5cfa8 100644
--- a/static/data/abs/hps_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/hps_CC3_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.60          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.60          _              _            false
diff --git a/static/data/abs/hps_CC3_aug-cc-pVTZ.dat b/static/data/abs/hps_CC3_aug-cc-pVTZ.dat
index c7dea58c..10d8c807 100644
--- a/static/data/abs/hps_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CC3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.59          _              0.001        false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.59          _              0.001        false
diff --git a/static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat
index 467e2e5b..6483e30d 100644
--- a/static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.59          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.59          _              _            false
diff --git a/static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat
index 07567c7e..b7b77c77 100644
--- a/static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.60          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.60          _              _            false
diff --git a/static/data/abs/hps_CCSDTQP_6-31+G(d).dat b/static/data/abs/hps_CCSDTQP_6-31+G(d).dat
index b8b37dcd..7c756685 100644
--- a/static/data/abs/hps_CCSDTQP_6-31+G(d).dat
+++ b/static/data/abs/hps_CCSDTQP_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.56          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.56          _              _            false
diff --git a/static/data/abs/hps_CCSDTQ_6-31+G(d).dat b/static/data/abs/hps_CCSDTQ_6-31+G(d).dat
index 30bb47da..29298ef8 100644
--- a/static/data/abs/hps_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/hps_CCSDTQ_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.56          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.56          _              _            false
diff --git a/static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat
index 9a1ce1d8..b9b25898 100644
--- a/static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/hps_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.59          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.59          _              _            false
diff --git a/static/data/abs/hps_CCSDT_6-31+G(d).dat b/static/data/abs/hps_CCSDT_6-31+G(d).dat
index 9bfa1fe6..6254181a 100644
--- a/static/data/abs/hps_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/hps_CCSDT_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.55          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.55          _              _            false
diff --git a/static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat
index d22b0fd2..99ad47b8 100644
--- a/static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/hps_CCSDT_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.59          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.59          _              _            false
diff --git a/static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat
index a2c3d0c5..2577f2ab 100644
--- a/static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CCSDT_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.58          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.58          _              _            false
diff --git a/static/data/abs/hps_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSD_aug-cc-pVTZ.dat
index 12761093..978ce038 100644
--- a/static/data/abs/hps_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.67          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.67          _              _            false
diff --git a/static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat
index 6c0cb8e1..c5e006cd 100644
--- a/static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CIS(D)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.68          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.68          _              _            false
diff --git a/static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat
index f5da59fe..fcf42031 100644
--- a/static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.39          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.39          _              _            false
diff --git a/static/data/abs/hps_FCI_aug-cc-pVDZ.dat b/static/data/abs/hps_FCI_aug-cc-pVDZ.dat
index 818ebaba..d4f66fe5 100644
--- a/static/data/abs/hps_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/hps_FCI_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.60          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.60          _              _            false
diff --git a/static/data/abs/hps_FCI_aug-cc-pVTZ.dat b/static/data/abs/hps_FCI_aug-cc-pVTZ.dat
index e315a73c..a428c941 100644
--- a/static/data/abs/hps_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_FCI_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.59          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.59          _              _            false
diff --git a/static/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index a62ab821..84de393f 100644
--- a/static/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hps_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.75          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.75          _              _            false
diff --git a/static/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index a37deafb..ba4a031d 100644
--- a/static/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hps_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.60          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.60          _              _            false
diff --git a/static/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 20625f4b..35aed31f 100644
--- a/static/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hps_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.74          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.74          _              _            false
diff --git a/static/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index f5590a87..23f9ad63 100644
--- a/static/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hps_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.79          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.79          _              _            false
diff --git a/static/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat
index c78f4384..8c13b6d0 100644
--- a/static/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.55          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.55          _              _            false
diff --git a/static/data/abs/hps_TBE(Full)_CBS.dat b/static/data/abs/hps_TBE(Full)_CBS.dat
index fc856596..a3a78786 100644
--- a/static/data/abs/hps_TBE(Full)_CBS.dat
+++ b/static/data/abs/hps_TBE(Full)_CBS.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.61          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.61          _              _            false
diff --git a/static/data/abs/hps_TBE_aug-cc-pVTZ.dat b/static/data/abs/hps_TBE_aug-cc-pVTZ.dat
index 7648b313..fbd2e030 100644
--- a/static/data/abs/hps_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_TBE_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.59          90.3           _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.59          90.3           _            false
diff --git a/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat
index 8017f177..5793b09c 100644
--- a/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.11          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.11          _              _            false
diff --git a/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat
index f26bbebc..41be53c1 100644
--- a/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.00          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.00          _              _            false
diff --git a/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat
index 32a1bb45..270a6c00 100644
--- a/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.88          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.88          _              _            false
diff --git a/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat
index c79793d6..1ead32d3 100644
--- a/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.14          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.14          _              _            false
diff --git a/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat
index 6bd548bb..5aee5d6b 100644
--- a/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.06          _              _            false
diff --git a/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat
index 212b3dc3..46261778 100644
--- a/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.06          _              _            false
diff --git a/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat
index 620e2797..fd5faece 100644
--- a/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.06          _              _            false
diff --git a/static/data/abs/hsif_CC3_6-31+G(d).dat b/static/data/abs/hsif_CC3_6-31+G(d).dat
index 5dbd6471..debe9538 100644
--- a/static/data/abs/hsif_CC3_6-31+G(d).dat
+++ b/static/data/abs/hsif_CC3_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.09          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.09          _              _            false
diff --git a/static/data/abs/hsif_CC3_aug-cc-pV5Z.dat b/static/data/abs/hsif_CC3_aug-cc-pV5Z.dat
index 622b984e..6cb40475 100644
--- a/static/data/abs/hsif_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/hsif_CC3_aug-cc-pV5Z.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.07          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              _            false
diff --git a/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat b/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat
index e27c41c6..4b61e615 100644
--- a/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
diff --git a/static/data/abs/hsif_CC3_aug-cc-pVQZ.dat b/static/data/abs/hsif_CC3_aug-cc-pVQZ.dat
index 6efd989f..df05a72f 100644
--- a/static/data/abs/hsif_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/hsif_CC3_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.07          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              _            false
diff --git a/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat
index 9a0f8b99..0a383b55 100644
--- a/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.07          _              0.024        false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              0.024        false
diff --git a/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat
index d6a85e80..927e3650 100644
--- a/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.07          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              _            false
diff --git a/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat
index 6091ddb1..5a28b860 100644
--- a/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat b/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat
index 52eddbc3..133b6d3f 100644
--- a/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat
+++ b/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat b/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat
index b0e4b1fe..591683bb 100644
--- a/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat
index 8a521a29..c000b43f 100644
--- a/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.07          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              _            false
diff --git a/static/data/abs/hsif_CCSDT_6-31+G(d).dat b/static/data/abs/hsif_CCSDT_6-31+G(d).dat
index 2263f1f7..bcad9b2f 100644
--- a/static/data/abs/hsif_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/hsif_CCSDT_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat
index 4d76bb44..f9afdf42 100644
--- a/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.07          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              _            false
diff --git a/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat
index 5b26ecb8..e962c31f 100644
--- a/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.06          _              _            false
diff --git a/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat
index ac624a0f..e16a1224 100644
--- a/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.12          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.12          _              _            false
diff --git a/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat
index 1626bc11..58818462 100644
--- a/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.16          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.16          _              _            false
diff --git a/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat
index c333a928..49f79894 100644
--- a/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.78          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.78          _              _            false
diff --git a/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat b/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat
index ed6d9469..60b6ffc0 100644
--- a/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.06          _              _            false
diff --git a/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat b/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat
index 50e985a8..26e933e2 100644
--- a/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.05          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.05          _              _            false
diff --git a/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index 601557e2..0be90be5 100644
--- a/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.21          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.21          _              _            false
diff --git a/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index 6aaf0654..a0d9217b 100644
--- a/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.12          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.12          _              _            false
diff --git a/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index a55d48d1..389ee323 100644
--- a/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.22          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.22          _              _            false
diff --git a/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index 23b5dc11..a6ba003b 100644
--- a/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.24          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.24          _              _            false
diff --git a/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat
index de6ad7ee..0af61132 100644
--- a/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.02          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.02          _              _            false
diff --git a/static/data/abs/hsif_TBE(Full)_CBS.dat b/static/data/abs/hsif_TBE(Full)_CBS.dat
index 0cbdc540..f02cd820 100644
--- a/static/data/abs/hsif_TBE(Full)_CBS.dat
+++ b/static/data/abs/hsif_TBE(Full)_CBS.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.05          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.05          _              _            false
diff --git a/static/data/abs/hsif_TBE_aug-cc-pVTZ.dat b/static/data/abs/hsif_TBE_aug-cc-pVTZ.dat
index c2489c63..35b6f027 100644
--- a/static/data/abs/hsif_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_TBE_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.05          93.1           _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.05          93.1           _            false
diff --git a/static/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ.dat
index 07a5152f..3ef08df1 100644
--- a/static/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.97          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.97          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ_addon.dat b/static/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ_addon.dat
index ae161147..7c6e3698 100644
--- a/static/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/hydrogen_chloride_ADC(2)_aug-cc-pVTZ_addon.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.97          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.97          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ.dat
index 768f9a96..042962cb 100644
--- a/static/data/abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.88          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.88          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ_addon.dat b/static/data/abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ_addon.dat
index f0b005c4..ccc6c4c5 100644
--- a/static/data/abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/hydrogen_chloride_ADC(2.5)_aug-cc-pVTZ_addon.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.88          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.88          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ.dat
index d75ecd9f..5bbc97eb 100644
--- a/static/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.79          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.79          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ_addon.dat b/static/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ_addon.dat
index 48e27fcc..a32675cd 100644
--- a/static/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/hydrogen_chloride_ADC(3)_aug-cc-pVTZ_addon.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.79          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.79          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ.dat
index 94e6066d..b9b357ce 100644
--- a/static/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.96          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.96          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ_addon.dat b/static/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ_addon.dat
index 5c18c3ae..57f06223 100644
--- a/static/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/hydrogen_chloride_CC2_aug-cc-pVTZ_addon.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.96          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.96          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3(Full)_aug-cc-pV5Z.dat b/static/data/abs/hydrogen_chloride_CC3(Full)_aug-cc-pV5Z.dat
index 3d4ded63..9e376e0a 100644
--- a/static/data/abs/hydrogen_chloride_CC3(Full)_aug-cc-pV5Z.dat
+++ b/static/data/abs/hydrogen_chloride_CC3(Full)_aug-cc-pV5Z.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.87          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.87          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_CC3(Full)_aug-cc-pVQZ.dat
index 3b7b8a22..a8bab191 100644
--- a/static/data/abs/hydrogen_chloride_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hydrogen_chloride_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.87          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.87          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pV5Z.dat b/static/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pV5Z.dat
index 70b6938c..424316bb 100644
--- a/static/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pV5Z.dat
+++ b/static/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pV5Z.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.87          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.87          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pVQZ.dat
index e28e45b6..be5b10ee 100644
--- a/static/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pVQZ.dat
+++ b/static/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.87          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.87          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3(Full)_t-aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_CC3(Full)_t-aug-cc-pVQZ.dat
index 31aeda1d..d45ce445 100644
--- a/static/data/abs/hydrogen_chloride_CC3(Full)_t-aug-cc-pVQZ.dat
+++ b/static/data/abs/hydrogen_chloride_CC3(Full)_t-aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.87          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.87          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3_6-31+G(d).dat b/static/data/abs/hydrogen_chloride_CC3_6-31+G(d).dat
index 9e09383c..59d28570 100644
--- a/static/data/abs/hydrogen_chloride_CC3_6-31+G(d).dat
+++ b/static/data/abs/hydrogen_chloride_CC3_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.84          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.84          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVDZ.dat b/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVDZ.dat
index 67880edc..f795af92 100644
--- a/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.82          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.82          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVQZ.dat
index 11628a77..e91a8d2a 100644
--- a/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.89          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.89          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ.dat
index 1cb31c15..7664afc1 100644
--- a/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.84          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.84          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ_addon.dat b/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ_addon.dat
index 354c338d..fb00a0b7 100644
--- a/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/hydrogen_chloride_CC3_aug-cc-pVTZ_addon.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.84          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.84          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVQZ.dat
index 57f6f49c..bcae55f7 100644
--- a/static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVQZ.dat
+++ b/static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.88          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.88          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVTZ.dat
index a9276c1c..724c5dc5 100644
--- a/static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CC3_d-aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.83          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.83          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CC3_t-aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_CC3_t-aug-cc-pVQZ.dat
index 5f0638e4..7bd1a249 100644
--- a/static/data/abs/hydrogen_chloride_CC3_t-aug-cc-pVQZ.dat
+++ b/static/data/abs/hydrogen_chloride_CC3_t-aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.88          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.88          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCSDR(3)_aug-cc-pVTZ.dat
index aa347870..ca7c4399 100644
--- a/static/data/abs/hydrogen_chloride_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.84          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.84          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCSDT-3_aug-cc-pVTZ.dat
index 922f8e58..06c60bf9 100644
--- a/static/data/abs/hydrogen_chloride_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.85          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.85          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat b/static/data/abs/hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat
index 9a924286..fe7e790b 100644
--- a/static/data/abs/hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSDTQP_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.82          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.82          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSDTQ_6-31+G(d).dat b/static/data/abs/hydrogen_chloride_CCSDTQ_6-31+G(d).dat
index c920c172..78e69638 100644
--- a/static/data/abs/hydrogen_chloride_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/hydrogen_chloride_CCSDTQ_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.84          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.84          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat
index 7318c5b7..0301a84c 100644
--- a/static/data/abs/hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.82          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.82          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat
index 137b7a7a..c94d9457 100644
--- a/static/data/abs/hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSDTQ_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.84          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.84          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSDT_6-31+G(d).dat b/static/data/abs/hydrogen_chloride_CCSDT_6-31+G(d).dat
index 3e298ec1..ac2c43ff 100644
--- a/static/data/abs/hydrogen_chloride_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/hydrogen_chloride_CCSDT_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.84          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.84          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat
index a914b203..eead8694 100644
--- a/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.81          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.81          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat
index b5b3d75d..5bda56cf 100644
--- a/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.88          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.88          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat
index 48514439..a70017f1 100644
--- a/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSDT_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.83          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.83          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCSD_aug-cc-pVTZ.dat
index 1a41b1a1..8ac79706 100644
--- a/static/data/abs/hydrogen_chloride_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.91          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.91          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CIS(D)_aug-cc-pVTZ.dat
index 6f7485de..2c8b1854 100644
--- a/static/data/abs/hydrogen_chloride_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CIS(D)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.98          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.98          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_CIS(D∞)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CIS(D∞)_aug-cc-pVTZ.dat
index d5ec0ac1..730d987f 100644
--- a/static/data/abs/hydrogen_chloride_CIS(D∞)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CIS(D∞)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.97          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.97          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVDZ.dat b/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVDZ.dat
index e051a362..954f6842 100644
--- a/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.82          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.82          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVQZ.dat b/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVQZ.dat
index 8ff5b578..fedfd5a0 100644
--- a/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVQZ.dat
+++ b/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.88          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.88          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVTZ.dat
index 8b824762..3c606fa3 100644
--- a/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_FCI_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.84          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.84          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_STEOM-CCSD_aug-cc-pVTZ.dat
index 23a9a22e..821d9806 100644
--- a/static/data/abs/hydrogen_chloride_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.91          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.91          _              _            false
diff --git a/static/data/abs/hydrogen_chloride_TBE(Full)_CBS.dat b/static/data/abs/hydrogen_chloride_TBE(Full)_CBS.dat
index a58e0db1..488c8316 100644
--- a/static/data/abs/hydrogen_chloride_TBE(Full)_CBS.dat
+++ b/static/data/abs/hydrogen_chloride_TBE(Full)_CBS.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.86          94.3           0.056        false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.86          94.3           0.056        false
diff --git a/static/data/abs/hydrogen_chloride_TBE_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_TBE_aug-cc-pVTZ.dat
index fd827922..4e2a8de8 100644
--- a/static/data/abs/hydrogen_chloride_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_TBE_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.84          94.3           0.056        false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.84          94.3           0.056        false
diff --git a/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat
index 25bb1dd6..5ad45584 100644
--- a/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.95          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.35          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.95          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.35          _              _            false
diff --git a/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat
index 7bdeea0c..8c8eaa32 100644
--- a/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.86          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.33          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.86          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.33          _              _            false
diff --git a/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat
index fa703912..69e0156b 100644
--- a/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.76          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.31          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.76          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.31          _              _            false
diff --git a/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat
index 70107cee..c849ba8c 100644
--- a/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.99          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.39          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.99          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.39          _              _            false
diff --git a/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat
index 7cac20b8..be238910 100644
--- a/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.90          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.52          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
diff --git a/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat
index 3f448c7f..f1f081b6 100644
--- a/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.91          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.52          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
diff --git a/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat
index f4020e17..3d988326 100644
--- a/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.91          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.52          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
diff --git a/static/data/abs/sicl2_CC3_6-31+G(d).dat b/static/data/abs/sicl2_CC3_6-31+G(d).dat
index 2feb9bec..536d64fb 100644
--- a/static/data/abs/sicl2_CC3_6-31+G(d).dat
+++ b/static/data/abs/sicl2_CC3_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.94          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.39          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.94          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.39          _              _            false
diff --git a/static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat b/static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat
index 92bed9d0..b9f92e95 100644
--- a/static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.92          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.50          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.92          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.50          _              _            false
diff --git a/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat b/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat
index 4dad99b4..072af6aa 100644
--- a/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.93          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.45          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.93          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.45          _              _            false
diff --git a/static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat b/static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat
index 92073f52..b1b1a83e 100644
--- a/static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.91          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.49          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.49          _              _            false
diff --git a/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat
index 45b9b483..d994e23f 100644
--- a/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.90          _              0.031        false
-  1       1     A_1        1       3     B_1          _                                       2.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.90          _              0.031        false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          _              _            false
diff --git a/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat
index a29a6110..e607faa3 100644
--- a/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.89          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.89          _              _            false
diff --git a/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat
index 4ecec016..a0fc6623 100644
--- a/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.91          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
diff --git a/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat b/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat
index 2861f8fb..356447ea 100644
--- a/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.94          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.40          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.94          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.40          _              _            false
diff --git a/static/data/abs/sicl2_CCSDT_6-31+G(d).dat b/static/data/abs/sicl2_CCSDT_6-31+G(d).dat
index 6714a92c..b4172a3c 100644
--- a/static/data/abs/sicl2_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/sicl2_CCSDT_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.94          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.39          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.94          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.39          _              _            false
diff --git a/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat
index 5dec5a2a..8af57da6 100644
--- a/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.92          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.44          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.92          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
diff --git a/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat
index f0a90c34..0d962cee 100644
--- a/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.88          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.47          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.88          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.47          _              _            false
diff --git a/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat
index bd98a0ff..7503266b 100644
--- a/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.96          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.45          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.96          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.45          _              _            false
diff --git a/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat
index 766c3e9e..74d579ea 100644
--- a/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.99          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.40          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.99          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.40          _              _            false
diff --git a/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat
index 5c6ac474..83a6023f 100644
--- a/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.70          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.18          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.70          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.18          _              _            false
diff --git a/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat b/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat
index 783a83f3..7274efa0 100644
--- a/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.95          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.47          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.95          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.47          _              _            false
diff --git a/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat b/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat
index 0b0d2ec7..14210db4 100644
--- a/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.88          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.49          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.88          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.49          _              _            false
diff --git a/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index 92941736..a2a10c58 100644
--- a/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       4.02          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.02          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          _              _            false
diff --git a/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index 524b4072..d6ed98a2 100644
--- a/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.89          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.44          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
diff --git a/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 68809058..02de98c6 100644
--- a/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       4.01          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.51          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.01          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.51          _              _            false
diff --git a/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index 28ad859e..8d72e342 100644
--- a/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       4.04          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.52          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.04          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
diff --git a/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat
index aba3254c..5a20f0bd 100644
--- a/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.80          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.80          _              _            false
diff --git a/static/data/abs/sicl2_TBE(Full)_CBS.dat b/static/data/abs/sicl2_TBE(Full)_CBS.dat
index 93560077..78471bd4 100644
--- a/static/data/abs/sicl2_TBE(Full)_CBS.dat
+++ b/static/data/abs/sicl2_TBE(Full)_CBS.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.93          _              _            false
-  1       1     A_1        1       3     B_1          _                                       2.50          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.93          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.50          _              _            false
diff --git a/static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat b/static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat
index 5ced7aa8..29704b82 100644
--- a/static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          _                                       3.91          92.1           _            false
-  1       1     A_1        1       3     B_1          _                                       2.48          98.7           _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          92.1           _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          98.7           _            false
diff --git a/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat
index 9be301ab..7423b4f2 100644
--- a/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_ADC(2)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.37          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.88          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.37          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.88          _              _            false
diff --git a/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat
index 02b9f71c..126d8a78 100644
--- a/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.12          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.64          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.12          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.64          _              _            false
diff --git a/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat
index 4d6b2d9f..7566892c 100644
--- a/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_ADC(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       1.87          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.40          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         1.87          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.40          _              _            false
diff --git a/static/data/abs/silylidene_CC2_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CC2_aug-cc-pVTZ.dat
index 9b8fd9ab..396cba54 100644
--- a/static/data/abs/silylidene_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.37          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.85          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.37          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.85          _              _            false
diff --git a/static/data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat
index 17c1689a..d1ed027c 100644
--- a/static/data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/silylidene_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.15          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.78          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.15          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.78          _              _            false
diff --git a/static/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat
index 7f7f560f..2f89c53e 100644
--- a/static/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/silylidene_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.16          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.78          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.16          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.78          _              _            false
diff --git a/static/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat
index f205ca64..b203132b 100644
--- a/static/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/silylidene_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.15          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.78          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.15          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.78          _              _            false
diff --git a/static/data/abs/silylidene_CC3_6-31+G(d).dat b/static/data/abs/silylidene_CC3_6-31+G(d).dat
index 3acfe202..24d184d8 100644
--- a/static/data/abs/silylidene_CC3_6-31+G(d).dat
+++ b/static/data/abs/silylidene_CC3_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.14          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.88          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.14          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.88          _              _            false
diff --git a/static/data/abs/silylidene_CC3_aug-cc-pV5Z.dat b/static/data/abs/silylidene_CC3_aug-cc-pV5Z.dat
index d0d75934..306ec4e0 100644
--- a/static/data/abs/silylidene_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/silylidene_CC3_aug-cc-pV5Z.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.16          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.80          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.16          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.80          _              _            false
diff --git a/static/data/abs/silylidene_CC3_aug-cc-pVDZ.dat b/static/data/abs/silylidene_CC3_aug-cc-pVDZ.dat
index 6cf16417..378f0d02 100644
--- a/static/data/abs/silylidene_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/silylidene_CC3_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.18          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.81          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.18          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.81          _              _            false
diff --git a/static/data/abs/silylidene_CC3_aug-cc-pVQZ.dat b/static/data/abs/silylidene_CC3_aug-cc-pVQZ.dat
index d949013b..dfdabb93 100644
--- a/static/data/abs/silylidene_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/silylidene_CC3_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.16          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.79          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.16          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.79          _              _            false
diff --git a/static/data/abs/silylidene_CC3_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CC3_aug-cc-pVTZ.dat
index c7eebfd6..9b2aa424 100644
--- a/static/data/abs/silylidene_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CC3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_2          _                                       3.78          _              0.033        false
-  1       1     A_1        1       1     A_2          _                                       2.15          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.78          _              0.033        false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.15          _              _            false
diff --git a/static/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat
index f97200a2..ee7ceaea 100644
--- a/static/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.16          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.79          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.16          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.79          _              _            false
diff --git a/static/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat
index bc42fce1..5d183591 100644
--- a/static/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.17          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.80          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.17          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.80          _              _            false
diff --git a/static/data/abs/silylidene_CCSDTQP_6-31+G(d).dat b/static/data/abs/silylidene_CCSDTQP_6-31+G(d).dat
index 22fd58f0..bf5df98b 100644
--- a/static/data/abs/silylidene_CCSDTQP_6-31+G(d).dat
+++ b/static/data/abs/silylidene_CCSDTQP_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.10          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.88          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.10          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.88          _              _            false
diff --git a/static/data/abs/silylidene_CCSDTQ_6-31+G(d).dat b/static/data/abs/silylidene_CCSDTQ_6-31+G(d).dat
index 09087129..4ed47759 100644
--- a/static/data/abs/silylidene_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/silylidene_CCSDTQ_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.10          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.88          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.10          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.88          _              _            false
diff --git a/static/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat
index 276656e9..98db6f94 100644
--- a/static/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/silylidene_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.14          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.80          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.14          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.80          _              _            false
diff --git a/static/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat
index e59d5694..e1fbd358 100644
--- a/static/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CCSDTQ_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.12          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.78          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.12          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.78          _              _            false
diff --git a/static/data/abs/silylidene_CCSDT_6-31+G(d).dat b/static/data/abs/silylidene_CCSDT_6-31+G(d).dat
index 5d2b57fa..81a7efd4 100644
--- a/static/data/abs/silylidene_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/silylidene_CCSDT_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.11          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.87          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.11          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.87          _              _            false
diff --git a/static/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat
index a943c4c5..d6500994 100644
--- a/static/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/silylidene_CCSDT_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.15          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.80          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.15          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.80          _              _            false
diff --git a/static/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat
index 13c3c3ec..1b45db21 100644
--- a/static/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CCSDT_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.13          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.78          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.13          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.78          _              _            false
diff --git a/static/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat
index fef8af58..a7a9c34c 100644
--- a/static/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.29          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.88          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.29          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.88          _              _            false
diff --git a/static/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat
index 3df6f7be..4e3e4de4 100644
--- a/static/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CIS(D)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.39          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.91          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.39          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.91          _              _            false
diff --git a/static/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat
index 124107ae..3d7bed84 100644
--- a/static/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.09          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.66          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.09          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.66          _              _            false
diff --git a/static/data/abs/silylidene_FCI_aug-cc-pVDZ.dat b/static/data/abs/silylidene_FCI_aug-cc-pVDZ.dat
index 0a4d5852..fc9da643 100644
--- a/static/data/abs/silylidene_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/silylidene_FCI_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.14          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.79          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.14          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.79          _              _            false
diff --git a/static/data/abs/silylidene_FCI_aug-cc-pVTZ.dat b/static/data/abs/silylidene_FCI_aug-cc-pVTZ.dat
index 5910181c..ce1ca0e0 100644
--- a/static/data/abs/silylidene_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_FCI_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.11          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.78          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.11          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.78          _              _            false
diff --git a/static/data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index eb8396de..5110ba7c 100644
--- a/static/data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/silylidene_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.35          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.91          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.35          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.91          _              _            false
diff --git a/static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index b7b6498d..865bdc8c 100644
--- a/static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.24          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.87          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.24          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.87          _              _            false
diff --git a/static/data/abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 4c1ae0e1..68e2e0ef 100644
--- a/static/data/abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/silylidene_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.35          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.98          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.35          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.98          _              _            false
diff --git a/static/data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index bc95659a..90aeaffe 100644
--- a/static/data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/silylidene_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.35          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.94          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.35          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.94          _              _            false
diff --git a/static/data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat
index b2d7549a..70b22ee5 100644
--- a/static/data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.21          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.81          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.21          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.81          _              _            false
diff --git a/static/data/abs/silylidene_TBE(Full)_CBS.dat b/static/data/abs/silylidene_TBE(Full)_CBS.dat
index b3f87286..752e20b4 100644
--- a/static/data/abs/silylidene_TBE(Full)_CBS.dat
+++ b/static/data/abs/silylidene_TBE(Full)_CBS.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.12          _              _            false
-  1       1     A_1        1       1     B_2          _                                       3.80          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.12          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.80          _              _            false
diff --git a/static/data/abs/silylidene_TBE_aug-cc-pVTZ.dat b/static/data/abs/silylidene_TBE_aug-cc-pVTZ.dat
index 41bff65a..2b16e3fd 100644
--- a/static/data/abs/silylidene_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_TBE_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          _                                       2.11          92.3           _            false
-  1       1     A_1        1       1     B_2          _                                       3.78          88.0           _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         2.11          92.3           _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.78          88.0           _            false

From a32c93f39d082e19c456109bb093460964cd1043 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Mon, 19 Oct 2020 18:52:09 +0200
Subject: [PATCH 08/11] Denis fix

---
 static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat        | 4 ++--
 .../abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 4 ++--
 .../data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/diazirine_ADC(2)_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/diazirine_ADC(2.5)_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/diazirine_ADC(3)_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/diazirine_CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/diazirine_CC3_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/diazirine_CCCSDT-3_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/diazirine_CCSD(2)_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/diazirine_CCSDR(3)_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/diazirine_CCSD_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/diazirine_CIS(D)_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/diazirine_SCS-CC2_aug-cc-pVTZ.dat           | 2 +-
 .../data/abs/diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/diazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/diazirine_SOS-CC2_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/diazirine_STEOM-CCSD_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/diazirine_TBE_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat           | 6 +++---
 static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat     | 6 +++---
 static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat         | 6 +++---
 static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat   | 6 +++---
 static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat           | 6 +++---
 static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat     | 6 +++---
 static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat              | 6 +++---
 static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat        | 6 +++---
 static/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat        | 4 ++--
 static/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat        | 4 ++--
 static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat      | 4 ++--
 static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat      | 4 ++--
 static/data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat      | 4 ++--
 static/data/abs/dinitrogen_CC3_6-31+G(d).dat                | 6 +++---
 static/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat              | 4 ++--
 static/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat              | 4 ++--
 static/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat              | 6 +++---
 static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat        | 6 +++---
 static/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat            | 4 ++--
 static/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat            | 4 ++--
 static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat         | 6 +++---
 static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat          | 4 ++--
 static/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat             | 6 +++---
 static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat           | 4 ++--
 static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat           | 6 +++---
 static/data/abs/dinitrogen_CCSDT_6-31+G(d).dat              | 6 +++---
 static/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat            | 4 ++--
 static/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat            | 2 +-
 static/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat            | 6 +++---
 static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat             | 6 +++---
 static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat           | 6 +++---
 static/data/abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat          | 6 +++---
 static/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat              | 4 ++--
 static/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat              | 4 ++--
 static/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 .../data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat       | 6 +++---
 static/data/abs/dinitrogen_TBE(Full)_CBS.dat                | 6 +++---
 static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat              | 6 +++---
 static/data/abs/dinitrogen_exp.dat                          | 4 ++--
 68 files changed, 139 insertions(+), 139 deletions(-)

diff --git a/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
index 8cd6a120..6b337b07 100644
--- a/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.70          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star)  6.70          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.76          _              _            false
diff --git a/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
index 9d350545..45d991c1 100644
--- a/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.73          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star)  6.73          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.76          _              _            false
   1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.36          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         6.42          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 6.42          _              _            false
diff --git a/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
index 84ee8896..2e0c08fb 100644
--- a/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.86          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star)  6.86          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.94          _              _            false
   1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.48          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         6.60          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 6.60          _              _            false
diff --git a/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 1a231a12..3005c448 100644
--- a/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.79          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star)  6.79          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.86          _              _            false
   1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.40          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         6.56          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 6.56          _              _            false
diff --git a/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index ac721991..252b300b 100644
--- a/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.94          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star)  6.94          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.98          _              _            false
   1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         6.71          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 6.71          _              _            false
diff --git a/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
index 0fa457ae..6bc1a110 100644
--- a/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.92          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star)  6.92          _              _            false
   1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  7.01          _              _            false
   1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         6.69          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 6.69          _              _            false
diff --git a/static/data/abs/diazirine_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/diazirine_ADC(2)_aug-cc-pVTZ.dat
index 84a18708..5378a8f0 100644
--- a/static/data/abs/diazirine_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_ADC(2)_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.21          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.47          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.47          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.33          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.87          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.55          _              _            false
diff --git a/static/data/abs/diazirine_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/diazirine_ADC(2.5)_aug-cc-pVTZ.dat
index 92ea9282..13764732 100644
--- a/static/data/abs/diazirine_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_ADC(2.5)_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.02          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.24          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.24          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.34          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.92          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.38          _              _            false
diff --git a/static/data/abs/diazirine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/diazirine_ADC(3)_aug-cc-pVTZ.dat
index 0e460ea4..bc70e5f9 100644
--- a/static/data/abs/diazirine_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_ADC(3)_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.82          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.00          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.00          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.34          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.97          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.20          _              _            false
diff --git a/static/data/abs/diazirine_CC2_aug-cc-pVTZ.dat b/static/data/abs/diazirine_CC2_aug-cc-pVTZ.dat
index 84bda873..a2cbafdc 100644
--- a/static/data/abs/diazirine_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_CC2_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.2           _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.45          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.45          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.26          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.81          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.55          _              _            false
diff --git a/static/data/abs/diazirine_CC3_aug-cc-pVTZ.dat b/static/data/abs/diazirine_CC3_aug-cc-pVTZ.dat
index 61b6afae..52fa047b 100644
--- a/static/data/abs/diazirine_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_CC3_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.11          92.5           0.002        false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.31          90.9           _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.31          90.9           _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.45          93.5           0.000        false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.04          93.8           0.132        false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.51          98.2           _            false
diff --git a/static/data/abs/diazirine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diazirine_CCCSDT-3_aug-cc-pVTZ.dat
index 71dfffbe..7b1861cb 100644
--- a/static/data/abs/diazirine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -9,6 +9,6 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.12          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.32          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.32          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.46          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.05          _              _            false
diff --git a/static/data/abs/diazirine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/diazirine_CCSD(2)_aug-cc-pVTZ.dat
index 141adfd9..68c8f7f2 100644
--- a/static/data/abs/diazirine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_CCSD(2)_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.28          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.52          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.52          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.67          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.22          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.61          _              _            false
diff --git a/static/data/abs/diazirine_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/diazirine_CCSDR(3)_aug-cc-pVTZ.dat
index 6cba8be6..2b2b3aab 100644
--- a/static/data/abs/diazirine_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_CCSDR(3)_aug-cc-pVTZ.dat
@@ -9,6 +9,6 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.12          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.33          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.33          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.47          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.05          _              _            false
diff --git a/static/data/abs/diazirine_CCSD_aug-cc-pVTZ.dat b/static/data/abs/diazirine_CCSD_aug-cc-pVTZ.dat
index 20326e78..0c9d8b14 100644
--- a/static/data/abs/diazirine_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_CCSD_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.18          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.39          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.39          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.55          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.11          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.53          _              _            false
diff --git a/static/data/abs/diazirine_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/diazirine_CIS(D)_aug-cc-pVTZ.dat
index ddc1fddc..2d477797 100644
--- a/static/data/abs/diazirine_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_CIS(D)_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.28          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.74          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.74          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.94          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.91          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.63          _              _            false
diff --git a/static/data/abs/diazirine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diazirine_SCS-CC2_aug-cc-pVTZ.dat
index 4664ddf7..77f2ff0a 100644
--- a/static/data/abs/diazirine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_SCS-CC2_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.28          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.52          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.52          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.51          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.03          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.70          _              _            false
diff --git a/static/data/abs/diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 0425acbc..62dfa513 100644
--- a/static/data/abs/diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.14          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.39          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.39          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.58          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.07          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.60          _              _            false
diff --git a/static/data/abs/diazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/diazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8918e94b..08019d40 100644
--- a/static/data/abs/diazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.33          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.58          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.58          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.72          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.22          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.76          _              _            false
diff --git a/static/data/abs/diazirine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diazirine_SOS-CC2_aug-cc-pVTZ.dat
index 68fd0b7c..fc30d224 100644
--- a/static/data/abs/diazirine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_SOS-CC2_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.33          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.56          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.56          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.63          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.14          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.77          _              _            false
diff --git a/static/data/abs/diazirine_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/diazirine_STEOM-CCSD_aug-cc-pVTZ.dat
index 0754b131..a0cb80c7 100644
--- a/static/data/abs/diazirine_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.03          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         7.01          _              _            true
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) 7.01          _              _            true
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.48          _              _            false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.06          _              _            false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.46          _              _            false
diff --git a/static/data/abs/diazirine_TBE_aug-cc-pVTZ.dat b/static/data/abs/diazirine_TBE_aug-cc-pVTZ.dat
index 0c3a8759..3a97b173 100644
--- a/static/data/abs/diazirine_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_TBE_aug-cc-pVTZ.dat
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
   1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.09          92.5           0.002        false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow 3p)         _             90.9           _            false
+  1       1     A_1        1       1     B_2          (\mathrm{V};\sigma \rightarrow \pi^\star) _             90.9           _            false
   1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3s)           7.44          93.5           0.000        false
   1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         8.03          93.8           0.132        false
   1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.49          98.2           _            false
diff --git a/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat
index d56fd3a1..57a76885 100644
--- a/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.48          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.48          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.26         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.79         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.99         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.32         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.32         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.07         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         14.00         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            14.00         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.15          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.20          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.25          _              _            false
diff --git a/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat b/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat
index 61550f2a..acbe24db 100644
--- a/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/dinitrogen_ADC(2)_aug-cc-pVTZ_addon.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.48          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.48          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.26         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.79         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.99         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.32         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.32         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.07         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         14.00         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            14.00         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.15          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.20          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.25          _              _            false
diff --git a/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat
index aef3b4d6..78f02777 100644
--- a/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.32          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.32          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.79          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.00         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.15         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.15         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.08         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.70         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.70         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    7.98          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.80          _              _            false
diff --git a/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat b/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat
index d371e540..776444f2 100644
--- a/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/dinitrogen_ADC(2.5)_aug-cc-pVTZ_addon.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.32          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.32          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.79          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.00         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.15         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.15         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.08         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.70         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.70         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    7.98          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.80          _              _            false
diff --git a/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat
index 73e3f2ac..e823dc4c 100644
--- a/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.16          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.16          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.33          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.74          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.01         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.98         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.98         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.40         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.40         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.25          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    7.77          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.36          _              _            false
diff --git a/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat b/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat
index c313c3e5..9830cc39 100644
--- a/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/dinitrogen_ADC(3)_aug-cc-pVTZ_addon.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.16          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.16          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.33          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.74          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.01         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.98         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.98         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.40         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.40         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.25          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    7.77          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.36          _              _            false
diff --git a/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat
index 401c1d84..14ba9e92 100644
--- a/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.44          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.44          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.32         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.86         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.83         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.15         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.15         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            12.89         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.96         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.96         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.19          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.19          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.30          _              _            false
diff --git a/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat b/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat
index 49e03b85..4630a629 100644
--- a/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/dinitrogen_CC2_aug-cc-pVTZ_addon.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.44          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.44          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.32         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.86         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.83         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.15         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.15         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            12.89         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.96         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.96         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.19          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.19          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.30          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat b/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat
index 5223e6e5..b4f8a3cd 100644
--- a/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat
+++ b/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pV5Z.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.86          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.77         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.08         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.08         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 13.06         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.34         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.34         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat
index 9675c8b0..f93bef89 100644
--- a/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3(Full)_aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.91         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.16         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.16         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 13.10         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.40         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.40         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.03          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.86          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat b/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat
index d577ed8d..1090d14a 100644
--- a/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat
+++ b/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pV5Z.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.86          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.31         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.92         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.92         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.98         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.30         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.30         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat
index ebe275f7..19429789 100644
--- a/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3(Full)_d-aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.28         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.90         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.90         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.96         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.31         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.31         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.03          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.86          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat
index e2d912fa..0c9d05a0 100644
--- a/static/data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3(Full)_t-aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.28         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.90         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.90         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.96         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.31         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.31         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.03          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.86          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_6-31+G(d).dat b/static/data/abs/dinitrogen_CC3_6-31+G(d).dat
index ede2ce06..da8efd60 100644
--- a/static/data/abs/dinitrogen_CC3_6-31+G(d).dat
+++ b/static/data/abs/dinitrogen_CC3_6-31+G(d).dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.46          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.46          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.10         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.47         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.29         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.44         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.44         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.51         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.85         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.85         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.68          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.10          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.99          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat
index 99a62f9a..af89582a 100644
--- a/static/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/dinitrogen_CC3_aug-cc-pVDZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             10.06         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.23         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.28         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.28         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.14         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.64         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.64         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.67          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.07          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.97          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat
index bf6fcd6c..812775f1 100644
--- a/static/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3_aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.90         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.17         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.17         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.42         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.42         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat
index 2735a3f9..7532f705 100644
--- a/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.34          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.34          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.88          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.29         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.01         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.22         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.22         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.12         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.49         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.49         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.68          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat b/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat
index d40c0a04..b0c63048 100644
--- a/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/dinitrogen_CC3_aug-cc-pVTZ_addon.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.34          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.34          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.88          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.29         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.01         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.22         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.22         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.12         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.49         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.49         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.68          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat
index ca1a66a5..8e6947e6 100644
--- a/static/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3_d-aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.27         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.89         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.89         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.94         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.34         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.34         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat
index c85fab9f..cdcd0150 100644
--- a/static/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CC3_t-aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V}; \pi \rightarrow \pi^\star) 9.87          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 10.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.27         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.89         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.89         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.94         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.34         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.34         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V}; \pi \rightarrow \pi^\star) 7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V}; n \rightarrow \pi^\star)   8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V}; \pi \rightarrow \pi^\star) 8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
index 6fdd7f52..44ccd8a4 100644
--- a/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
@@ -12,5 +12,5 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.89          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.31         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.06         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.27         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.16         _              _            false
diff --git a/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
index 9b08cfdc..1920c043 100644
--- a/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.11         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.56         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.38         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.64         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.64         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.49         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.83         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.83         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.04          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.23          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.13          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat
index a5a0679d..0b916feb 100644
--- a/static/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,10 +8,10 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.36          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.36          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.90          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.33         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.04         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.28         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.28         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.14         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.52         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.52         _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat
index c2a64c06..a5a2cf7c 100644
--- a/static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,9 +8,9 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.35          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.35          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.89          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.31         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.06         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.27         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.27         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.16         _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
index 2d5ab17a..a0b5787c 100644
--- a/static/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
+++ b/static/data/abs/dinitrogen_CCSDTQP_aug-cc-pVDZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             10.05         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.18         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.13         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.13         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.11         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.56         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.56         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.05          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.96          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat b/static/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat
index 9185a4ab..a6308d22 100644
--- a/static/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/dinitrogen_CCSDTQ_6-31+G(d).dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.43          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.43          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.10         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.47         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.23         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.28         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.28         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.48         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.79         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.79         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.08          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.99          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
index 4e228175..2f40f8d9 100644
--- a/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVDZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             10.06         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.18         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.13         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.13         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.11         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.56         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.56         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.69          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.05          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.96          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
index a321dbfd..aacbd9ad 100644
--- a/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSDTQ_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.32          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.32          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.88          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.29         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.97         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.09         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.09         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.42         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.42         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.02          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDT_6-31+G(d).dat b/static/data/abs/dinitrogen_CCSDT_6-31+G(d).dat
index cce60c05..3c0ffa50 100644
--- a/static/data/abs/dinitrogen_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/dinitrogen_CCSDT_6-31+G(d).dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.44          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.44          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.10         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.48         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.26         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.32         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.32         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.51         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.82         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.82         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.68          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.09          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.99          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat
index 64218e4a..33df116f 100644
--- a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVDZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             10.06         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.44         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.20         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.17         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.17         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.13         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.59         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.59         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.68          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.06          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.96          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat
index cf415b16..19f754be 100644
--- a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVQZ.dat
@@ -13,7 +13,7 @@
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.28         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.89         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.37         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.37         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.71          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat
index 752f8dab..3d599dd8 100644
--- a/static/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSDT_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.33          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.33          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.89          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.00         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.14         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.14         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.12         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.45         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.45         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.69          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.03          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat
index e1de74fc..43b92d1c 100644
--- a/static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSD_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.41          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.41          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.00         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.44         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.15         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.43         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.26         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.67         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.67         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.66          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.09          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.91          _              _            false
diff --git a/static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat
index 021d6f1c..0f6bec19 100644
--- a/static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CIS(D)_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.66          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.66          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.31         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.85         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.67         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.64         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.64         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.75         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         14.52         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            14.52         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.20          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.33          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.30          _              _            false
diff --git a/static/data/abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat
index dfc14512..28a51d87 100644
--- a/static/data/abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CIS(D∞)_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.48          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.48          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.26         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.79         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.99         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.33         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.33         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.07         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.99         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.99         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  8.15          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.20          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.25          _              _            false
diff --git a/static/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat b/static/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat
index 14845831..4ee79932 100644
--- a/static/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/dinitrogen_FCI_aug-cc-pVDZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             10.05         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.18         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.12         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.12         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.11         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.56         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.56         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.05          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.96          _              _            false
diff --git a/static/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat b/static/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat
index 6ca4da6a..5a74fd3c 100644
--- a/static/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat
+++ b/static/data/abs/dinitrogen_FCI_aug-cc-pVQZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             9.92          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.31         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.89         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.1          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.1          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.2          _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.7          _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.7          _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.74          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.03          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.88          _              _            false
diff --git a/static/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat
index 15d6ce68..4f227666 100644
--- a/static/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_FCI_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             9.88          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.29         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            12.98         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.03         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.03         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.09         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.46         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.46         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.01          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.87          _              _            false
diff --git a/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
index 371dcaa7..e405e3ac 100644
--- a/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.75         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.06         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.37         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.37         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.12         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.97         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.97         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.73          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.33          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.35          _              _            false
diff --git a/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 7bf0781d..60ecc55e 100644
--- a/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.12         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.50         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.15         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.45         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.45         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.25         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.82         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.82         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.41          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.28          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.24          _              _            false
diff --git a/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 5bceb079..f4509d39 100644
--- a/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.24         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.63         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.33         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.64         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.64         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.41         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         14.03         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            14.03         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.49          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.43          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.33          _              _            false
diff --git a/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
index 352abb5a..b8bf5879 100644
--- a/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -12,9 +12,9 @@
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.30         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.69         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R};\pi \rightarrow 3p)         13.16         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.47         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.47         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R};\pi \rightarrow 3p)         13.23         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.98         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.98         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.49          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.40          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  9.37          _              _            false
diff --git a/static/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat
index 8ecf30cc..d77f1d18 100644
--- a/static/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.37          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.37          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  10.09         _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.56         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R})                            13.13         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.43         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.43         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            13.22         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.73         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.73         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.16          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.94          _              _            false
diff --git a/static/data/abs/dinitrogen_TBE(Full)_CBS.dat b/static/data/abs/dinitrogen_TBE(Full)_CBS.dat
index 4b9050e1..585eed78 100644
--- a/static/data/abs/dinitrogen_TBE(Full)_CBS.dat
+++ b/static/data/abs/dinitrogen_TBE(Full)_CBS.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.33          92.6           _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.33          92.6           _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.91          97.2           _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.31         95.9           0.000        false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.30         92.2           _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.73         82.9           0.458        false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.73         82.9           0.458        false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.95         92.8           0.296        false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.27         87.4           0.000        false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.27         87.4           0.000        false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.74          99.3           _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.03          98.4           _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.88          99.3           _            false
diff --git a/static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat
index 57651447..2aaee883 100644
--- a/static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_TBE_aug-cc-pVTZ.dat
@@ -8,13 +8,13 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    9.34          92.6           _            false
+  1       1     \Sigma_g   1       1     \Pi_g       (\mathrm{V};\pi \rightarrow \pi^\star)   9.34          92.6           _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  9.88          97.2           _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  10.29         95.9           0.000        false
   1       1     \Sigma_g   1       1     \Sigma_g^+   (\mathrm{R}; n \rightarrow \sigma^\star) 12.98         92.2           _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.03         82.9           0.458        false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            13.03         82.9           0.458        false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R}; n \rightarrow \sigma^\star) 13.09         92.8           0.296        false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.46         87.4           0.000        false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.46         87.4           0.000        false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  7.70          99.3           _            false
   1       1     \Sigma_g   1       3     \Pi_g        (\mathrm{V};n \rightarrow \pi^\star)    8.01          98.4           _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  8.87          99.3           _            false
diff --git a/static/data/abs/dinitrogen_exp.dat b/static/data/abs/dinitrogen_exp.dat
index 251985a2..ffc87509 100644
--- a/static/data/abs/dinitrogen_exp.dat
+++ b/static/data/abs/dinitrogen_exp.dat
@@ -11,9 +11,9 @@
   1       1     \Sigma_g   1       1     \Pi_g        (n \rightarrow \pi^\star)               9.31          _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^-   (\pi \rightarrow \pi^\star)             9.92          _              _            false
   1       1     \Sigma_g   1       1     \Delta_u     (\pi \rightarrow \pi^\star)             10.27         _              _            false
-  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         12.78         _              _            false
+  1       1     \Sigma_g   1       1     \Pi_u        (\mathrm{R})                            12.78         _              _            false
   1       1     \Sigma_g   1       1     \Sigma_u^+   (\mathrm{R})                            12.96         _              _            false
-  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R};\pi \rightarrow 3p)         13.10         _              _            false
+  1       1     \Sigma_g   2       1     \Pi_u        (\mathrm{R})                            13.10         _              _            false
   1       1     \Sigma_g   1       3     \Sigma_u^+   (\pi \rightarrow \pi^\star)             7.75          _              _            false
   1       1     \Sigma_g   1       3     \Pi_g        (n \rightarrow \pi^\star)               8.04          _              _            false
   1       1     \Sigma_g   1       3     \Delta_u     (\pi \rightarrow \pi^\star)             8.88          _              _            false

From 2aebccc215766177b1fcaf73d76c82ff5d42e0af Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Tue, 20 Oct 2020 17:40:41 +0200
Subject: [PATCH 09/11] New \sigma \rightarrow \pi^\star fix

---
 static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat           | 4 ++--
 static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat            | 4 ++--
 static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat              | 4 ++--
 static/data/abs/ccl2_CC3_6-31+G(d).dat                    | 4 ++--
 static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat                  | 4 ++--
 static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat                  | 4 ++--
 static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat                  | 4 ++--
 static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat                 | 4 ++--
 static/data/abs/ccl2_CCSDT_6-31+G(d).dat                  | 4 ++--
 static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat                | 4 ++--
 static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat                  | 4 ++--
 static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 4 ++--
 static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 4 ++--
 static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat         | 4 ++--
 static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/ccl2_TBE(Full)_CBS.dat                    | 4 ++--
 static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/cclf_CC2_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat           | 2 +-
 static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat            | 2 +-
 static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat              | 2 +-
 static/data/abs/cclf_CC3_6-31+G(d).dat                    | 2 +-
 static/data/abs/cclf_CC3_aug-cc-pV5Z.dat                  | 2 +-
 static/data/abs/cclf_CC3_aug-cc-pVDZ.dat                  | 2 +-
 static/data/abs/cclf_CC3_aug-cc-pVQZ.dat                  | 2 +-
 static/data/abs/cclf_CC3_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/cclf_CCSDTQ_6-31+G(d).dat                 | 2 +-
 static/data/abs/cclf_CCSDT_6-31+G(d).dat                  | 2 +-
 static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat                | 2 +-
 static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/cclf_FCI_aug-cc-pVDZ.dat                  | 2 +-
 static/data/abs/cclf_FCI_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/cclf_TBE(Full)_CBS.dat                    | 2 +-
 static/data/abs/cclf_TBE_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/cf2_CC2_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat            | 4 ++--
 static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat             | 4 ++--
 static/data/abs/cf2_CC3_6-31+G(d).dat                     | 4 ++--
 static/data/abs/cf2_CC3_aug-cc-pV5Z.dat                   | 4 ++--
 static/data/abs/cf2_CC3_aug-cc-pVDZ.dat                   | 4 ++--
 static/data/abs/cf2_CC3_aug-cc-pVQZ.dat                   | 4 ++--
 static/data/abs/cf2_CC3_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/cf2_CCSDTQ_6-31+G(d).dat                  | 4 ++--
 static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat                | 4 ++--
 static/data/abs/cf2_CCSDT_6-31+G(d).dat                   | 4 ++--
 static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat                 | 4 ++--
 static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat                  | 4 ++--
 static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/cf2_FCI_aug-cc-pVDZ.dat                   | 4 ++--
 static/data/abs/cf2_FCI_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 4 ++--
 static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 4 ++--
 static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat          | 4 ++--
 static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/cf2_TBE(Full)_CBS.dat                     | 4 ++--
 static/data/abs/cf2_TBE_aug-cc-pVTZ.dat                   | 4 ++--
 static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hccl_CC2_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat           | 2 +-
 static/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat            | 2 +-
 static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat              | 2 +-
 static/data/abs/hccl_CC3_6-31+G(d).dat                    | 2 +-
 static/data/abs/hccl_CC3_aug-cc-pV5Z.dat                  | 2 +-
 static/data/abs/hccl_CC3_aug-cc-pVDZ.dat                  | 2 +-
 static/data/abs/hccl_CC3_aug-cc-pVQZ.dat                  | 2 +-
 static/data/abs/hccl_CC3_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hccl_CCSDTQP_6-31+G(d).dat                | 2 +-
 static/data/abs/hccl_CCSDTQ_6-31+G(d).dat                 | 2 +-
 static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat               | 2 +-
 static/data/abs/hccl_CCSDT_6-31+G(d).dat                  | 2 +-
 static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat                | 2 +-
 static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hccl_FCI_aug-cc-pVDZ.dat                  | 2 +-
 static/data/abs/hccl_FCI_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/hccl_TBE(Full)_CBS.dat                    | 2 +-
 static/data/abs/hccl_TBE_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/hcf_CC2_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat            | 2 +-
 static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat             | 2 +-
 static/data/abs/hcf_CC3_6-31+G(d).dat                     | 2 +-
 static/data/abs/hcf_CC3_aug-cc-pV5Z.dat                   | 2 +-
 static/data/abs/hcf_CC3_aug-cc-pVDZ.dat                   | 2 +-
 static/data/abs/hcf_CC3_aug-cc-pVQZ.dat                   | 2 +-
 static/data/abs/hcf_CC3_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hcf_CCSDTQP_6-31+G(d).dat                 | 2 +-
 static/data/abs/hcf_CCSDTQ_6-31+G(d).dat                  | 2 +-
 static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat                | 2 +-
 static/data/abs/hcf_CCSDT_6-31+G(d).dat                   | 2 +-
 static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat                 | 2 +-
 static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hcf_FCI_aug-cc-pVDZ.dat                   | 2 +-
 static/data/abs/hcf_FCI_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/hcf_TBE(Full)_CBS.dat                     | 2 +-
 static/data/abs/hcf_TBE_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hsif_CC2_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat           | 2 +-
 static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat            | 2 +-
 static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat              | 2 +-
 static/data/abs/hsif_CC3_6-31+G(d).dat                    | 2 +-
 static/data/abs/hsif_CC3_aug-cc-pV5Z.dat                  | 2 +-
 static/data/abs/hsif_CC3_aug-cc-pVDZ.dat                  | 2 +-
 static/data/abs/hsif_CC3_aug-cc-pVQZ.dat                  | 2 +-
 static/data/abs/hsif_CC3_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hsif_CCSDTQP_6-31+G(d).dat                | 2 +-
 static/data/abs/hsif_CCSDTQ_6-31+G(d).dat                 | 2 +-
 static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat               | 2 +-
 static/data/abs/hsif_CCSDT_6-31+G(d).dat                  | 2 +-
 static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat                | 2 +-
 static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hsif_FCI_aug-cc-pVDZ.dat                  | 2 +-
 static/data/abs/hsif_FCI_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/hsif_TBE(Full)_CBS.dat                    | 2 +-
 static/data/abs/hsif_TBE_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat            | 4 ++--
 static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat          | 4 ++--
 static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat           | 4 ++--
 static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat             | 4 ++--
 static/data/abs/sicl2_CC3_6-31+G(d).dat                   | 4 ++--
 static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat                 | 4 ++--
 static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat                 | 4 ++--
 static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat                 | 4 ++--
 static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat                | 4 ++--
 static/data/abs/sicl2_CCSDT_6-31+G(d).dat                 | 4 ++--
 static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat               | 4 ++--
 static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat               | 4 ++--
 static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat                | 4 ++--
 static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat              | 4 ++--
 static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat                 | 4 ++--
 static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat                 | 4 ++--
 static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 4 ++--
 static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 4 ++--
 static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat        | 4 ++--
 static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat             | 4 ++--
 static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/sicl2_TBE(Full)_CBS.dat                   | 4 ++--
 static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat                 | 4 ++--
 239 files changed, 335 insertions(+), 335 deletions(-)

diff --git a/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat
index 206f7493..830bcb77 100644
--- a/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_ADC(2)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.46          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.46          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.12          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         0.98          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 0.98          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.05          _              _            false
diff --git a/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat
index c65d4f45..dbeb49c7 100644
--- a/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.44          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.44          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         0.95          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 0.95          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.34          _              _            false
diff --git a/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat
index 4ad9f967..7bf30ebb 100644
--- a/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_ADC(3)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.41          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.41          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.76          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         0.91          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 0.91          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.62          _              _            false
diff --git a/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat
index baa85e45..43dc3f82 100644
--- a/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CC2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.58          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.58          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.27          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.15          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.15          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.20          _              _            false
diff --git a/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat
index 26da177c..8f191ad4 100644
--- a/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/ccl2_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.57          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.57          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.33          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.19          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.19          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.26          _              _            false
diff --git a/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat
index e2981ef6..346c3bd1 100644
--- a/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/ccl2_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.57          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.57          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.34          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.19          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.19          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.28          _              _            false
diff --git a/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat
index 40af2878..f7f331d0 100644
--- a/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/ccl2_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.59          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.59          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.36          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.21          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.21          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
diff --git a/static/data/abs/ccl2_CC3_6-31+G(d).dat b/static/data/abs/ccl2_CC3_6-31+G(d).dat
index 96210a88..a5c891b6 100644
--- a/static/data/abs/ccl2_CC3_6-31+G(d).dat
+++ b/static/data/abs/ccl2_CC3_6-31+G(d).dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.71          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.46          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.10          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.10          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.41          _              _            false
diff --git a/static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat b/static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat
index c7c58802..6ec47f38 100644
--- a/static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/ccl2_CC3_aug-cc-pV5Z.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.59          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.59          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.36          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.21          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.21          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
diff --git a/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat b/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat
index 572c16a0..98021d63 100644
--- a/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/ccl2_CC3_aug-cc-pVDZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.69          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.69          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.40          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.20          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.20          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.34          _              _            false
diff --git a/static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat b/static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat
index 662bfd8c..a027a653 100644
--- a/static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/ccl2_CC3_aug-cc-pVQZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.60          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.60          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.37          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.21          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.21          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.30          _              _            false
diff --git a/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat
index d7ae031b..9df13463 100644
--- a/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CC3_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              0.002        false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.61          _              0.002        false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.35          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.20          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.20          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.28          _              _            false
diff --git a/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
index efff80ee..57860ddc 100644
--- a/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.61          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.41          _              _            false
diff --git a/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
index 081bfdff..5750c950 100644
--- a/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.36          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.36          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.27          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         0.84          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 0.84          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.17          _              _            false
diff --git a/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat
index d0d6bf75..9ae6d325 100644
--- a/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.59          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.59          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.37          _              _            false
diff --git a/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat
index 489a9606..d0413734 100644
--- a/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.61          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.41          _              _            false
diff --git a/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat b/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat
index 65b1094f..9780b7aa 100644
--- a/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/ccl2_CCSDTQ_6-31+G(d).dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.70          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.70          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.47          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.11          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.11          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.42          _              _            false
diff --git a/static/data/abs/ccl2_CCSDT_6-31+G(d).dat b/static/data/abs/ccl2_CCSDT_6-31+G(d).dat
index 9b086840..9029bb0e 100644
--- a/static/data/abs/ccl2_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/ccl2_CCSDT_6-31+G(d).dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.70          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.70          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.44          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.09          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.09          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.38          _              _            false
diff --git a/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat
index 3ac6821d..b763a191 100644
--- a/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/ccl2_CCSDT_aug-cc-pVDZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.69          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.69          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.39          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.19          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.19          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.31          _              _            false
diff --git a/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat
index 58f63976..9ff3b61d 100644
--- a/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSDT_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.60          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.60          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.33          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.19          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.19          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.26          _              _            false
diff --git a/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat
index f1efa95f..8e7c961a 100644
--- a/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSD_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.61          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.57          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.11          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.11          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.45          _              _            false
diff --git a/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat
index b8c8f5ea..c1885d2a 100644
--- a/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CIS(D)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.59          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.59          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.20          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.09          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.09          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.24          _              _            false
diff --git a/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat
index eb36a181..ceee1004 100644
--- a/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.36          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.36          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.27          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         0.84          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 0.84          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.17          _              _            false
diff --git a/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat b/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat
index fb0d5f3b..7ee6bb11 100644
--- a/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/ccl2_FCI_aug-cc-pVDZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.68          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.68          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.46          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.22          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.22          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.36          _              _            false
diff --git a/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat b/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat
index 44c534c1..f1353600 100644
--- a/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_FCI_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.22          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.22          _              _            false
diff --git a/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index ce10df9b..d2b5e115 100644
--- a/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/ccl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.64          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.64          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.50          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.23          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.23          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.46          _              _            false
diff --git a/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
index 85445aa2..b52d3107 100644
--- a/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.64          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.64          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.50          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.23          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.23          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.46          _              _            false
diff --git a/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index 37d765ac..2f885173 100644
--- a/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/ccl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.44          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.06          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
diff --git a/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 8cab9423..d3973d24 100644
--- a/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/ccl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.58          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.58          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.50          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.16          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.16          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.48          _              _            false
diff --git a/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 954fdbc4..b1db0d63 100644
--- a/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.44          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.06          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.29          _              _            false
diff --git a/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index cab15d05..da9fe1f5 100644
--- a/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.58          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.58          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.50          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.16          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.16          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.48          _              _            false
diff --git a/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index 68dbd813..da3cc3d0 100644
--- a/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/ccl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.67          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.67          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.61          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.27          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.27          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.59          _              _            false
diff --git a/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
index 49804f05..668af99b 100644
--- a/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.67          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.67          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.61          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.27          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.27          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.59          _              _            false
diff --git a/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat
index 360bc8b8..3562e21a 100644
--- a/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,6 +8,6 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.35          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.35          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.33          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.23          _              _            false
diff --git a/static/data/abs/ccl2_TBE(Full)_CBS.dat b/static/data/abs/ccl2_TBE(Full)_CBS.dat
index c4066a17..a28c4708 100644
--- a/static/data/abs/ccl2_TBE(Full)_CBS.dat
+++ b/static/data/abs/ccl2_TBE(Full)_CBS.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.57          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.57          _              _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.41          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.23          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.23          _              _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.32          _              _            false
diff --git a/static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat b/static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat
index 28df4700..11a95647 100644
--- a/static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_TBE_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.59          93.7           _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.59          93.7           _            false
   1       1     A_1        1       1     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.40          88.3           _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         1.22          98.6           _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 1.22          98.6           _            false
   1       1     A_1        1       3     A_2          (\mathrm{V};\pi \rightarrow 3p)         4.31          96.1           _            false
diff --git a/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat
index 6fd5b884..778dbf44 100644
--- a/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_ADC(2)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.44          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.44          _              _            false
diff --git a/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat
index f64725e0..a0fc6e8f 100644
--- a/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.40          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.40          _              _            false
diff --git a/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat
index 236d8882..64a23b73 100644
--- a/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_ADC(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.35          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.35          _              _            false
diff --git a/static/data/abs/cclf_CC2_aug-cc-pVTZ.dat b/static/data/abs/cclf_CC2_aug-cc-pVTZ.dat
index 1c753eaf..19577705 100644
--- a/static/data/abs/cclf_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CC2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.57          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.57          _              _            false
diff --git a/static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat
index 34a41d68..d2a53ee1 100644
--- a/static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/cclf_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.53          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.53          _              _            false
diff --git a/static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat
index 40a759b4..75ff7430 100644
--- a/static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/cclf_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.53          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.53          _              _            false
diff --git a/static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat
index e0dd98ad..3107a6a6 100644
--- a/static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/cclf_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.55          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.55          _              _            false
diff --git a/static/data/abs/cclf_CC3_6-31+G(d).dat b/static/data/abs/cclf_CC3_6-31+G(d).dat
index bd6b6b96..d9b6a283 100644
--- a/static/data/abs/cclf_CC3_6-31+G(d).dat
+++ b/static/data/abs/cclf_CC3_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.66          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.66          _              _            false
diff --git a/static/data/abs/cclf_CC3_aug-cc-pV5Z.dat b/static/data/abs/cclf_CC3_aug-cc-pV5Z.dat
index c392dc62..82d27bbe 100644
--- a/static/data/abs/cclf_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/cclf_CC3_aug-cc-pV5Z.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.55          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.55          _              _            false
diff --git a/static/data/abs/cclf_CC3_aug-cc-pVDZ.dat b/static/data/abs/cclf_CC3_aug-cc-pVDZ.dat
index ae201833..f5fc20b8 100644
--- a/static/data/abs/cclf_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/cclf_CC3_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.63          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.63          _              _            false
diff --git a/static/data/abs/cclf_CC3_aug-cc-pVQZ.dat b/static/data/abs/cclf_CC3_aug-cc-pVQZ.dat
index 14c3af1f..fdfbe2b5 100644
--- a/static/data/abs/cclf_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/cclf_CC3_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.55          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.55          _              _            false
diff --git a/static/data/abs/cclf_CC3_aug-cc-pVTZ.dat b/static/data/abs/cclf_CC3_aug-cc-pVTZ.dat
index ade12ead..2a3f0e61 100644
--- a/static/data/abs/cclf_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CC3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.56          _              0.007        false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.56          _              0.007        false
diff --git a/static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat
index 8bddb971..78b157d6 100644
--- a/static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.55          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.55          _              _            false
diff --git a/static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat
index d3585c8c..48a7d5b6 100644
--- a/static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.56          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.56          _              _            false
diff --git a/static/data/abs/cclf_CCSDTQ_6-31+G(d).dat b/static/data/abs/cclf_CCSDTQ_6-31+G(d).dat
index 6568b1a6..d5e809ab 100644
--- a/static/data/abs/cclf_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/cclf_CCSDTQ_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.66          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.66          _              _            false
diff --git a/static/data/abs/cclf_CCSDT_6-31+G(d).dat b/static/data/abs/cclf_CCSDT_6-31+G(d).dat
index b05bb32c..fc918146 100644
--- a/static/data/abs/cclf_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/cclf_CCSDT_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.66          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.66          _              _            false
diff --git a/static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat
index 3d151cea..69189e4d 100644
--- a/static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/cclf_CCSDT_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.62          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.62          _              _            false
diff --git a/static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat
index 5418d79a..a3d1fdc0 100644
--- a/static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CCSDT_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.55          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.55          _              _            false
diff --git a/static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat
index 366d0a7a..3e7933a5 100644
--- a/static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.57          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.57          _              _            false
diff --git a/static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat
index 0bff75a1..36ff93e6 100644
--- a/static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CIS(D)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.56          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.56          _              _            false
diff --git a/static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat
index 64115a49..c3c427bd 100644
--- a/static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.34          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.34          _              _            false
diff --git a/static/data/abs/cclf_FCI_aug-cc-pVDZ.dat b/static/data/abs/cclf_FCI_aug-cc-pVDZ.dat
index e6f5c5d3..dcab5165 100644
--- a/static/data/abs/cclf_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/cclf_FCI_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.62          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.62          _              _            false
diff --git a/static/data/abs/cclf_FCI_aug-cc-pVTZ.dat b/static/data/abs/cclf_FCI_aug-cc-pVTZ.dat
index d913364b..0c2c82a8 100644
--- a/static/data/abs/cclf_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_FCI_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.63          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.63          _              _            false
diff --git a/static/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index e82ed06b..9d2be359 100644
--- a/static/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cclf_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.61          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.61          _              _            false
diff --git a/static/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index dd402a30..4510f354 100644
--- a/static/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cclf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.39          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.39          _              _            false
diff --git a/static/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index ceb14539..24f129d5 100644
--- a/static/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cclf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.54          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.54          _              _            false
diff --git a/static/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index afddd618..0698c512 100644
--- a/static/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cclf_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.63          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.63          _              _            false
diff --git a/static/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat
index 34f931a6..62afa076 100644
--- a/static/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.39          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.39          _              _            false
diff --git a/static/data/abs/cclf_TBE(Full)_CBS.dat b/static/data/abs/cclf_TBE(Full)_CBS.dat
index ea36da5d..29889c02 100644
--- a/static/data/abs/cclf_TBE(Full)_CBS.dat
+++ b/static/data/abs/cclf_TBE(Full)_CBS.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.54          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.54          _              _            false
diff --git a/static/data/abs/cclf_TBE_aug-cc-pVTZ.dat b/static/data/abs/cclf_TBE_aug-cc-pVTZ.dat
index a7c4c50f..fec24df2 100644
--- a/static/data/abs/cclf_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_TBE_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       3.55          93.9           _            false
+  1       1     A^\prime   1       1     A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.55          93.9           _            false
diff --git a/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat
index 2b8bea83..5751bbd1 100644
--- a/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_ADC(2)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.94          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.54          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.94          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.54          _              _            false
diff --git a/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat
index 555b1662..a7be58ac 100644
--- a/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.90          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.51          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.51          _              _            false
diff --git a/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat
index 333f3db6..4204b9d1 100644
--- a/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_ADC(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.86          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.86          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.48          _              _            false
diff --git a/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat
index 1dbca8c5..9459e897 100644
--- a/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.09          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.70          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.09          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.70          _              _            false
diff --git a/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat
index a03e15dc..f4a69610 100644
--- a/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/cf2_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.02          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.75          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.02          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.75          _              _            false
diff --git a/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat
index fec747d5..4a67a899 100644
--- a/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/cf2_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.02          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.75          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.02          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.75          _              _            false
diff --git a/static/data/abs/cf2_CC3_6-31+G(d).dat b/static/data/abs/cf2_CC3_6-31+G(d).dat
index c9b99fcb..28897b62 100644
--- a/static/data/abs/cf2_CC3_6-31+G(d).dat
+++ b/static/data/abs/cf2_CC3_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.18          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.18          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.71          _              _            false
diff --git a/static/data/abs/cf2_CC3_aug-cc-pV5Z.dat b/static/data/abs/cf2_CC3_aug-cc-pV5Z.dat
index 1a78a540..14e3bf4a 100644
--- a/static/data/abs/cf2_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/cf2_CC3_aug-cc-pV5Z.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.05          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.77          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.05          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.77          _              _            false
diff --git a/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat b/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat
index 31255611..584dc301 100644
--- a/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/cf2_CC3_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.12          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.12          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.71          _              _            false
diff --git a/static/data/abs/cf2_CC3_aug-cc-pVQZ.dat b/static/data/abs/cf2_CC3_aug-cc-pVQZ.dat
index 3e15684b..8ec823ce 100644
--- a/static/data/abs/cf2_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/cf2_CC3_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.06          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.77          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.77          _              _            false
diff --git a/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat
index 333aba02..dca2deb7 100644
--- a/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CC3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.07          _              0.034        false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.76          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.07          _              0.034        false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.76          _              _            false
diff --git a/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
index f55282de..d2e682ca 100644
--- a/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.08          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.08          _              _            false
diff --git a/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
index d30ff1f7..1c76200d 100644
--- a/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.90          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.47          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.47          _              _            false
diff --git a/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat
index 14e3dbde..4c3babf6 100644
--- a/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.07          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.07          _              _            false
diff --git a/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat
index 0949b409..88fb0dfc 100644
--- a/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.08          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.08          _              _            false
diff --git a/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat b/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat
index 8549e88e..5a3e2d86 100644
--- a/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/cf2_CCSDTQ_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.18          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.18          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.71          _              _            false
diff --git a/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat
index aeb112d3..1fff6ee9 100644
--- a/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/cf2_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.11          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.11          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.71          _              _            false
diff --git a/static/data/abs/cf2_CCSDT_6-31+G(d).dat b/static/data/abs/cf2_CCSDT_6-31+G(d).dat
index f0da737b..957c3210 100644
--- a/static/data/abs/cf2_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/cf2_CCSDT_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.18          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.70          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.18          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.70          _              _            false
diff --git a/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat
index 88056468..0108bbf3 100644
--- a/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/cf2_CCSDT_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.11          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.70          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.11          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.70          _              _            false
diff --git a/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat
index ca767882..26b02bc2 100644
--- a/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSDT_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.06          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.75          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.75          _              _            false
diff --git a/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat
index 49cbc3ed..e1aefc68 100644
--- a/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.09          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.69          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.09          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.69          _              _            false
diff --git a/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat
index 5b9f82f7..a9415ca7 100644
--- a/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CIS(D)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.06          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.63          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.63          _              _            false
diff --git a/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat
index ea0de476..8884f956 100644
--- a/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.90          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.47          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.47          _              _            false
diff --git a/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat b/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat
index f90e3b7b..ae99dd01 100644
--- a/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/cf2_FCI_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.12          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.71          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.12          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.71          _              _            false
diff --git a/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat b/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat
index 75461cf9..6f599434 100644
--- a/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_FCI_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.09          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.77          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.09          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.77          _              _            false
diff --git a/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index afd3a53b..fa37a0d5 100644
--- a/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cf2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.13          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.79          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.13          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.79          _              _            false
diff --git a/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
index b30c4f89..566bd41f 100644
--- a/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.13          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.79          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.13          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.79          _              _            false
diff --git a/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index 57061b89..e99251ba 100644
--- a/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cf2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.89          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.64          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.64          _              _            false
diff --git a/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 9ec668d4..e6afadf8 100644
--- a/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cf2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.05          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.74          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.05          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.74          _              _            false
diff --git a/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index f91a3cc0..1adbc359 100644
--- a/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.89          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.64          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.64          _              _            false
diff --git a/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index f05540b1..fe4461e5 100644
--- a/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.05          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.74          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.05          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.74          _              _            false
diff --git a/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index acdf4157..a57cc886 100644
--- a/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/cf2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.15          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.84          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.15          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.84          _              _            false
diff --git a/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
index 0fb090fa..1b1b494a 100644
--- a/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.15          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.84          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.15          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.84          _              _            false
diff --git a/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat
index cf89afba..703efdce 100644
--- a/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.90          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.61          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.61          _              _            false
diff --git a/static/data/abs/cf2_TBE(Full)_CBS.dat b/static/data/abs/cf2_TBE(Full)_CBS.dat
index 25f5f158..71685817 100644
--- a/static/data/abs/cf2_TBE(Full)_CBS.dat
+++ b/static/data/abs/cf2_TBE(Full)_CBS.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.07          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.78          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.07          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.78          _              _            false
diff --git a/static/data/abs/cf2_TBE_aug-cc-pVTZ.dat b/static/data/abs/cf2_TBE_aug-cc-pVTZ.dat
index 323f49cb..625747f6 100644
--- a/static/data/abs/cf2_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_TBE_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         5.09          94.7           _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.77          99.1           _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 5.09          94.7           _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.77          99.1           _            false
diff --git a/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat
index 5a8574cf..315a33aa 100644
--- a/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_ADC(2)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.84          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.84          _              _            false
diff --git a/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat
index 1c1dcc8a..c6fd485b 100644
--- a/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.83          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.83          _              _            false
diff --git a/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat
index a3353d9a..4968f90e 100644
--- a/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_ADC(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.81          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.81          _              _            false
diff --git a/static/data/abs/hccl_CC2_aug-cc-pVTZ.dat b/static/data/abs/hccl_CC2_aug-cc-pVTZ.dat
index 4260e93d..bad6b9ca 100644
--- a/static/data/abs/hccl_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CC2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.91          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.91          _              _            false
diff --git a/static/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat
index 86bfa157..0b2e91da 100644
--- a/static/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/hccl_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.94          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.94          _              _            false
diff --git a/static/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat
index 76c31d93..26b5a7ae 100644
--- a/static/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hccl_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.95          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.95          _              _            false
diff --git a/static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat
index 0d74d49d..1323dd57 100644
--- a/static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hccl_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.96          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.96          _              _            false
diff --git a/static/data/abs/hccl_CC3_6-31+G(d).dat b/static/data/abs/hccl_CC3_6-31+G(d).dat
index ebd83857..9afd873e 100644
--- a/static/data/abs/hccl_CC3_6-31+G(d).dat
+++ b/static/data/abs/hccl_CC3_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.05          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.05          _              _            false
diff --git a/static/data/abs/hccl_CC3_aug-cc-pV5Z.dat b/static/data/abs/hccl_CC3_aug-cc-pV5Z.dat
index ebf37452..4e9e68c5 100644
--- a/static/data/abs/hccl_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/hccl_CC3_aug-cc-pV5Z.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.96          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.96          _              _            false
diff --git a/static/data/abs/hccl_CC3_aug-cc-pVDZ.dat b/static/data/abs/hccl_CC3_aug-cc-pVDZ.dat
index 2726397a..ff3589ca 100644
--- a/static/data/abs/hccl_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/hccl_CC3_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.02          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.02          _              _            false
diff --git a/static/data/abs/hccl_CC3_aug-cc-pVQZ.dat b/static/data/abs/hccl_CC3_aug-cc-pVQZ.dat
index 4836c6bd..2fe049c6 100644
--- a/static/data/abs/hccl_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/hccl_CC3_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.96          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.96          _              _            false
diff --git a/static/data/abs/hccl_CC3_aug-cc-pVTZ.dat b/static/data/abs/hccl_CC3_aug-cc-pVTZ.dat
index fafc4dae..2b54f211 100644
--- a/static/data/abs/hccl_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CC3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.97          _              0.003        false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.97          _              0.003        false
diff --git a/static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat
index fc552bbe..a7a300b5 100644
--- a/static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.95          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.95          _              _            false
diff --git a/static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat
index 73585406..94ca64d2 100644
--- a/static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.98          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.98          _              _            false
diff --git a/static/data/abs/hccl_CCSDTQP_6-31+G(d).dat b/static/data/abs/hccl_CCSDTQP_6-31+G(d).dat
index 9ac92979..f7fd56cc 100644
--- a/static/data/abs/hccl_CCSDTQP_6-31+G(d).dat
+++ b/static/data/abs/hccl_CCSDTQP_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.05          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.05          _              _            false
diff --git a/static/data/abs/hccl_CCSDTQ_6-31+G(d).dat b/static/data/abs/hccl_CCSDTQ_6-31+G(d).dat
index c8f34f0c..1576cf0b 100644
--- a/static/data/abs/hccl_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/hccl_CCSDTQ_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.05          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.05          _              _            false
diff --git a/static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat
index 340a0bb1..1208dd36 100644
--- a/static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/hccl_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.02          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.02          _              _            false
diff --git a/static/data/abs/hccl_CCSDT_6-31+G(d).dat b/static/data/abs/hccl_CCSDT_6-31+G(d).dat
index bbad622a..f9882288 100644
--- a/static/data/abs/hccl_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/hccl_CCSDT_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.04          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.04          _              _            false
diff --git a/static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat
index c5b09dac..a5b059f9 100644
--- a/static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/hccl_CCSDT_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.02          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.02          _              _            false
diff --git a/static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat
index f83a0e81..32201226 100644
--- a/static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CCSDT_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.97          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.97          _              _            false
diff --git a/static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat
index 929ce786..f4e23593 100644
--- a/static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.99          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.99          _              _            false
diff --git a/static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat
index 5f624673..320a35b6 100644
--- a/static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CIS(D)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.95          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.95          _              _            false
diff --git a/static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat
index bf4a2176..1f8cf477 100644
--- a/static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.65          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.65          _              _            false
diff --git a/static/data/abs/hccl_FCI_aug-cc-pVDZ.dat b/static/data/abs/hccl_FCI_aug-cc-pVDZ.dat
index afcc0ba1..99c6ffbf 100644
--- a/static/data/abs/hccl_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/hccl_FCI_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.04          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.04          _              _            false
diff --git a/static/data/abs/hccl_FCI_aug-cc-pVTZ.dat b/static/data/abs/hccl_FCI_aug-cc-pVTZ.dat
index 3649850a..5f6cb6ca 100644
--- a/static/data/abs/hccl_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_FCI_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.98          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.98          _              _            false
diff --git a/static/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index c96a4ea3..5b1b1b2f 100644
--- a/static/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hccl_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.01          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.01          _              _            false
diff --git a/static/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index d6862140..b1da031f 100644
--- a/static/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hccl_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.88          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.88          _              _            false
diff --git a/static/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 034ca556..2b11df94 100644
--- a/static/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hccl_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.01          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.01          _              _            false
diff --git a/static/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index 4504742e..74c66156 100644
--- a/static/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hccl_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.06          _              _            false
diff --git a/static/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat
index 1d4d94ff..361f1637 100644
--- a/static/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.80          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.80          _              _            false
diff --git a/static/data/abs/hccl_TBE(Full)_CBS.dat b/static/data/abs/hccl_TBE(Full)_CBS.dat
index adea475f..e1b66da4 100644
--- a/static/data/abs/hccl_TBE(Full)_CBS.dat
+++ b/static/data/abs/hccl_TBE(Full)_CBS.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.97          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.97          _              _            false
diff --git a/static/data/abs/hccl_TBE_aug-cc-pVTZ.dat b/static/data/abs/hccl_TBE_aug-cc-pVTZ.dat
index 377db198..b2bac77c 100644
--- a/static/data/abs/hccl_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_TBE_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       1.98          94.5           _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 1.98          94.5           _            false
diff --git a/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat
index 9ffdcbc1..d275f273 100644
--- a/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_ADC(2)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.34          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.34          _              _            false
diff --git a/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat
index d792675f..5857e2b2 100644
--- a/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.32          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.32          _              _            false
diff --git a/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat
index 16a2b8c5..4ab85fcd 100644
--- a/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_ADC(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.30          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.30          _              _            false
diff --git a/static/data/abs/hcf_CC2_aug-cc-pVTZ.dat b/static/data/abs/hcf_CC2_aug-cc-pVTZ.dat
index 2ed7ef3e..55e83203 100644
--- a/static/data/abs/hcf_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CC2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.44          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.44          _              _            false
diff --git a/static/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat
index 23571b99..9bb3bd37 100644
--- a/static/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/hcf_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.47          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.47          _              _            false
diff --git a/static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat
index 2064755f..ab3d001e 100644
--- a/static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hcf_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.47          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.47          _              _            false
diff --git a/static/data/abs/hcf_CC3_6-31+G(d).dat b/static/data/abs/hcf_CC3_6-31+G(d).dat
index 33ebbce8..7f785a19 100644
--- a/static/data/abs/hcf_CC3_6-31+G(d).dat
+++ b/static/data/abs/hcf_CC3_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.58          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.58          _              _            false
diff --git a/static/data/abs/hcf_CC3_aug-cc-pV5Z.dat b/static/data/abs/hcf_CC3_aug-cc-pV5Z.dat
index 2adb5a18..75f90e5e 100644
--- a/static/data/abs/hcf_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/hcf_CC3_aug-cc-pV5Z.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.49          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.49          _              _            false
diff --git a/static/data/abs/hcf_CC3_aug-cc-pVDZ.dat b/static/data/abs/hcf_CC3_aug-cc-pVDZ.dat
index a7a18ff4..77c62cd9 100644
--- a/static/data/abs/hcf_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/hcf_CC3_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.53          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.53          _              _            false
diff --git a/static/data/abs/hcf_CC3_aug-cc-pVQZ.dat b/static/data/abs/hcf_CC3_aug-cc-pVQZ.dat
index 3ddb5255..a19b7ea8 100644
--- a/static/data/abs/hcf_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/hcf_CC3_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.49          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.49          _              _            false
diff --git a/static/data/abs/hcf_CC3_aug-cc-pVTZ.dat b/static/data/abs/hcf_CC3_aug-cc-pVTZ.dat
index 24190e70..853ede1e 100644
--- a/static/data/abs/hcf_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CC3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.49          _              0.006        false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.49          _              0.006        false
diff --git a/static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat
index 5a8316d0..6ff58aad 100644
--- a/static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.48          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.48          _              _            false
diff --git a/static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat
index 09b0088a..ee6e59eb 100644
--- a/static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.50          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.50          _              _            false
diff --git a/static/data/abs/hcf_CCSDTQP_6-31+G(d).dat b/static/data/abs/hcf_CCSDTQP_6-31+G(d).dat
index 96ddb08e..839426c8 100644
--- a/static/data/abs/hcf_CCSDTQP_6-31+G(d).dat
+++ b/static/data/abs/hcf_CCSDTQP_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.58          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.58          _              _            false
diff --git a/static/data/abs/hcf_CCSDTQ_6-31+G(d).dat b/static/data/abs/hcf_CCSDTQ_6-31+G(d).dat
index 8851c0f8..faa11824 100644
--- a/static/data/abs/hcf_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/hcf_CCSDTQ_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.58          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.58          _              _            false
diff --git a/static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat
index 5057e234..1305ec92 100644
--- a/static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/hcf_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.53          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.53          _              _            false
diff --git a/static/data/abs/hcf_CCSDT_6-31+G(d).dat b/static/data/abs/hcf_CCSDT_6-31+G(d).dat
index 88779e98..2c1f16da 100644
--- a/static/data/abs/hcf_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/hcf_CCSDT_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.57          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.57          _              _            false
diff --git a/static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat
index 8af180a7..8dea53b6 100644
--- a/static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/hcf_CCSDT_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.53          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.53          _              _            false
diff --git a/static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat
index 3e9a7f2b..5077de8a 100644
--- a/static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CCSDT_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.49          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.49          _              _            false
diff --git a/static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat
index 584b5b5c..f650b37d 100644
--- a/static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.51          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.51          _              _            false
diff --git a/static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat
index 0313a72d..f76690e6 100644
--- a/static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CIS(D)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.54          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.54          _              _            false
diff --git a/static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat
index 3229c181..2e431b57 100644
--- a/static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.19          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.19          _              _            false
diff --git a/static/data/abs/hcf_FCI_aug-cc-pVDZ.dat b/static/data/abs/hcf_FCI_aug-cc-pVDZ.dat
index f4f8f516..b8ce8c34 100644
--- a/static/data/abs/hcf_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/hcf_FCI_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.54          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.54          _              _            false
diff --git a/static/data/abs/hcf_FCI_aug-cc-pVTZ.dat b/static/data/abs/hcf_FCI_aug-cc-pVTZ.dat
index 626f7007..88934964 100644
--- a/static/data/abs/hcf_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_FCI_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.49          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.49          _              _            false
diff --git a/static/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index f3493aba..7be18c47 100644
--- a/static/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hcf_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.53          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.53          _              _            false
diff --git a/static/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index 1f4764fb..b8ee7dd2 100644
--- a/static/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hcf_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.38          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.38          _              _            false
diff --git a/static/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index e0dc732a..0c11b178 100644
--- a/static/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hcf_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.51          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.51          _              _            false
diff --git a/static/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index 06ff3599..c74c1f22 100644
--- a/static/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hcf_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.58          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.58          _              _            false
diff --git a/static/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat
index 95b3b78e..d956beb8 100644
--- a/static/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.32          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.32          _              _            false
diff --git a/static/data/abs/hcf_TBE(Full)_CBS.dat b/static/data/abs/hcf_TBE(Full)_CBS.dat
index 262f1a73..d3ceffca 100644
--- a/static/data/abs/hcf_TBE(Full)_CBS.dat
+++ b/static/data/abs/hcf_TBE(Full)_CBS.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.49          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.49          _              _            false
diff --git a/static/data/abs/hcf_TBE_aug-cc-pVTZ.dat b/static/data/abs/hcf_TBE_aug-cc-pVTZ.dat
index fa4f22a1..029ce620 100644
--- a/static/data/abs/hcf_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_TBE_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} _                                       2.49          95.4           _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.49          95.4           _            false
diff --git a/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat
index 5793b09c..b8401dfa 100644
--- a/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_ADC(2)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.11          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.11          _              _            false
diff --git a/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat
index 41be53c1..ab4f48c7 100644
--- a/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.00          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.00          _              _            false
diff --git a/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat
index 270a6c00..5edafa45 100644
--- a/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_ADC(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.88          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.88          _              _            false
diff --git a/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat
index 1ead32d3..2ed2b35e 100644
--- a/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CC2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.14          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.14          _              _            false
diff --git a/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat
index 5aee5d6b..f0ac043f 100644
--- a/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/hsif_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.06          _              _            false
diff --git a/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat
index 46261778..61b347dc 100644
--- a/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hsif_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.06          _              _            false
diff --git a/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat
index fd5faece..3c0ed1ba 100644
--- a/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/hsif_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.06          _              _            false
diff --git a/static/data/abs/hsif_CC3_6-31+G(d).dat b/static/data/abs/hsif_CC3_6-31+G(d).dat
index debe9538..850cb30c 100644
--- a/static/data/abs/hsif_CC3_6-31+G(d).dat
+++ b/static/data/abs/hsif_CC3_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.09          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.09          _              _            false
diff --git a/static/data/abs/hsif_CC3_aug-cc-pV5Z.dat b/static/data/abs/hsif_CC3_aug-cc-pV5Z.dat
index 6cb40475..493590cb 100644
--- a/static/data/abs/hsif_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/hsif_CC3_aug-cc-pV5Z.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.07          _              _            false
diff --git a/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat b/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat
index 4b61e615..766545c5 100644
--- a/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/hsif_CC3_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.08          _              _            false
diff --git a/static/data/abs/hsif_CC3_aug-cc-pVQZ.dat b/static/data/abs/hsif_CC3_aug-cc-pVQZ.dat
index df05a72f..43e1bfe7 100644
--- a/static/data/abs/hsif_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/hsif_CC3_aug-cc-pVQZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.07          _              _            false
diff --git a/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat
index 0a383b55..2a8f330a 100644
--- a/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CC3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              0.024        false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.07          _              0.024        false
diff --git a/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
index 343eb5d9..4c2e5363 100644
--- a/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
index c015a7b9..26fc9be3 100644
--- a/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.78          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.78          _              _            false
diff --git a/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat
index 927e3650..e5ed8115 100644
--- a/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.07          _              _            false
diff --git a/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat
index 5a28b860..180651eb 100644
--- a/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat b/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat
index 133b6d3f..16718511 100644
--- a/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat
+++ b/static/data/abs/hsif_CCSDTQP_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat b/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat
index 591683bb..988ccadc 100644
--- a/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/hsif_CCSDTQ_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat b/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat
index c000b43f..abe6152b 100644
--- a/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat
+++ b/static/data/abs/hsif_CCSDTQ_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.07          _              _            false
diff --git a/static/data/abs/hsif_CCSDT_6-31+G(d).dat b/static/data/abs/hsif_CCSDT_6-31+G(d).dat
index bcad9b2f..a92d350b 100644
--- a/static/data/abs/hsif_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/hsif_CCSDT_6-31+G(d).dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.08          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.08          _              _            false
diff --git a/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat
index f9afdf42..7438fa87 100644
--- a/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/hsif_CCSDT_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.07          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.07          _              _            false
diff --git a/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat
index e962c31f..2ba414af 100644
--- a/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSDT_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.06          _              _            false
diff --git a/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat
index e16a1224..983d2cc4 100644
--- a/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.12          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.12          _              _            false
diff --git a/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat
index 58818462..c4cfa928 100644
--- a/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CIS(D)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.16          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.16          _              _            false
diff --git a/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat
index 49f79894..223d634d 100644
--- a/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         2.78          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 2.78          _              _            false
diff --git a/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat b/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat
index 60b6ffc0..f2ff623e 100644
--- a/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/hsif_FCI_aug-cc-pVDZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.06          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.06          _              _            false
diff --git a/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat b/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat
index 26e933e2..e2edf302 100644
--- a/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_FCI_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.05          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.05          _              _            false
diff --git a/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index 0be90be5..b581ab87 100644
--- a/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hsif_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.21          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.21          _              _            false
diff --git a/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
index 26ff7b3d..320b5346 100644
--- a/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.21          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.21          _              _            false
diff --git a/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index a0d9217b..1cf51baa 100644
--- a/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hsif_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.12          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.12          _              _            false
diff --git a/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 389ee323..97c395e0 100644
--- a/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hsif_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.22          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.22          _              _            false
diff --git a/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index ccd4928f..c53037ba 100644
--- a/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.12          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.12          _              _            false
diff --git a/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index c830eeba..95ca5aa4 100644
--- a/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.22          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.22          _              _            false
diff --git a/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index a6ba003b..8a1bc908 100644
--- a/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/hsif_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.24          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.24          _              _            false
diff --git a/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
index 911327f7..3045e8e2 100644
--- a/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.24          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.24          _              _            false
diff --git a/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat
index 0af61132..d1135b31 100644
--- a/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.02          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.02          _              _            false
diff --git a/static/data/abs/hsif_TBE(Full)_CBS.dat b/static/data/abs/hsif_TBE(Full)_CBS.dat
index f02cd820..f071663d 100644
--- a/static/data/abs/hsif_TBE(Full)_CBS.dat
+++ b/static/data/abs/hsif_TBE(Full)_CBS.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.05          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.05          _              _            false
diff --git a/static/data/abs/hsif_TBE_aug-cc-pVTZ.dat b/static/data/abs/hsif_TBE_aug-cc-pVTZ.dat
index 35b6f027..c7d404e8 100644
--- a/static/data/abs/hsif_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_TBE_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow 3p)         3.05          93.1           _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};\sigma \rightarrow \pi^\star) 3.05          93.1           _            false
diff --git a/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat
index 5ad45584..9987844b 100644
--- a/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_ADC(2)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.95          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.35          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.95          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.35          _              _            false
diff --git a/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat
index 8c8eaa32..12fed73f 100644
--- a/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_ADC(2.5)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.86          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.33          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.86          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.33          _              _            false
diff --git a/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat
index 69e0156b..1d410988 100644
--- a/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_ADC(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.76          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.31          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.76          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.31          _              _            false
diff --git a/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat
index c849ba8c..b8138757 100644
--- a/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.99          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.39          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.99          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.39          _              _            false
diff --git a/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat b/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat
index be238910..7333ceb6 100644
--- a/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat
+++ b/static/data/abs/sicl2_CC3(Full)_aug-cc-pCVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.90          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.90          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.52          _              _            false
diff --git a/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat b/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat
index f1f081b6..9dd712f5 100644
--- a/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat
+++ b/static/data/abs/sicl2_CC3(Full)_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.91          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.52          _              _            false
diff --git a/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat b/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat
index 3d988326..3dfd875a 100644
--- a/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat
+++ b/static/data/abs/sicl2_CC3(SC)_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.91          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.52          _              _            false
diff --git a/static/data/abs/sicl2_CC3_6-31+G(d).dat b/static/data/abs/sicl2_CC3_6-31+G(d).dat
index 536d64fb..784159e2 100644
--- a/static/data/abs/sicl2_CC3_6-31+G(d).dat
+++ b/static/data/abs/sicl2_CC3_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.94          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.39          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.94          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.39          _              _            false
diff --git a/static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat b/static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat
index b9f92e95..4f6424f5 100644
--- a/static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat
+++ b/static/data/abs/sicl2_CC3_aug-cc-pV5Z.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.92          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.50          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.92          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.50          _              _            false
diff --git a/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat b/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat
index 072af6aa..7e4d4945 100644
--- a/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat
+++ b/static/data/abs/sicl2_CC3_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.93          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.45          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.93          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.45          _              _            false
diff --git a/static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat b/static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat
index b1b1a83e..9d0e20b4 100644
--- a/static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat
+++ b/static/data/abs/sicl2_CC3_aug-cc-pVQZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.49          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.91          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.49          _              _            false
diff --git a/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat
index d994e23f..64a2a0a3 100644
--- a/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CC3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.90          _              0.031        false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.90          _              0.031        false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.48          _              _            false
diff --git a/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
index bf19c2fd..78995c13 100644
--- a/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.91          _              _            false
diff --git a/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
index c4065f80..6a853b4c 100644
--- a/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.70          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.18          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.70          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.18          _              _            false
diff --git a/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat
index e607faa3..e3d18c9b 100644
--- a/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.89          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.89          _              _            false
diff --git a/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat
index a0fc6623..bcfd3029 100644
--- a/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.91          _              _            false
diff --git a/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat b/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat
index 356447ea..8a158379 100644
--- a/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat
+++ b/static/data/abs/sicl2_CCSDTQ_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.94          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.40          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.94          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.40          _              _            false
diff --git a/static/data/abs/sicl2_CCSDT_6-31+G(d).dat b/static/data/abs/sicl2_CCSDT_6-31+G(d).dat
index b4172a3c..1b592d98 100644
--- a/static/data/abs/sicl2_CCSDT_6-31+G(d).dat
+++ b/static/data/abs/sicl2_CCSDT_6-31+G(d).dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.94          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.39          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.94          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.39          _              _            false
diff --git a/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat b/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat
index 8af57da6..ce7e4a0c 100644
--- a/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat
+++ b/static/data/abs/sicl2_CCSDT_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.92          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.92          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.44          _              _            false
diff --git a/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat
index 0d962cee..4066af0f 100644
--- a/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSDT_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.88          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.47          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.88          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.47          _              _            false
diff --git a/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat
index 7503266b..97637528 100644
--- a/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSD_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.96          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.45          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.96          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.45          _              _            false
diff --git a/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat
index 74d579ea..e4ff0319 100644
--- a/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CIS(D)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.99          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.40          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.99          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.40          _              _            false
diff --git a/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat
index 83a6023f..6d79c03c 100644
--- a/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.70          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.18          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.70          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.18          _              _            false
diff --git a/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat b/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat
index 7274efa0..4ce64742 100644
--- a/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat
+++ b/static/data/abs/sicl2_FCI_aug-cc-pVDZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.95          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.47          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.95          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.47          _              _            false
diff --git a/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat b/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat
index 14210db4..d1fa743a 100644
--- a/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_FCI_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.88          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.49          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.88          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.49          _              _            false
diff --git a/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat
index a2a10c58..2f95a9e2 100644
--- a/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/sicl2_SCS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.02          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.02          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.48          _              _            false
diff --git a/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
index 0eb5968a..0d7df5d1 100644
--- a/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.02          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.02          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.48          _              _            false
diff --git a/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
index d6ed98a2..be5d6e63 100644
--- a/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/sicl2_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.89          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.44          _              _            false
diff --git a/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat
index 02de98c6..8f55bfda 100644
--- a/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/sicl2_SOS-ADC(2) [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.01          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.51          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.01          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.51          _              _            false
diff --git a/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index c8e58756..62e59b34 100644
--- a/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.89          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.44          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.89          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.44          _              _            false
diff --git a/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8de2cfed..f9b8ef48 100644
--- a/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.01          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.51          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.01          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.51          _              _            false
diff --git a/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat
index 8d72e342..5e2b6f62 100644
--- a/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
+++ b/static/data/abs/sicl2_SOS-CC2 [TM]_aug-cc-pVTZ.dat	
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.04          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.04          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.52          _              _            false
diff --git a/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
index 57f69b6b..01bc07d5 100644
--- a/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         4.04          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.52          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 4.04          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.52          _              _            false
diff --git a/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat
index 5a20f0bd..547444a1 100644
--- a/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.80          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.80          _              _            false
diff --git a/static/data/abs/sicl2_TBE(Full)_CBS.dat b/static/data/abs/sicl2_TBE(Full)_CBS.dat
index 78471bd4..fc0afccf 100644
--- a/static/data/abs/sicl2_TBE(Full)_CBS.dat
+++ b/static/data/abs/sicl2_TBE(Full)_CBS.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.93          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.50          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.93          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.50          _              _            false
diff --git a/static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat b/static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat
index 29704b82..09372ac0 100644
--- a/static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_TBE_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};\pi \rightarrow 3p)         3.91          92.1           _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};\pi \rightarrow 3p)         2.48          98.7           _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 3.91          92.1           _            false
+  1       1     A_1        1       3     B_1          (\mathrm{V};\sigma \rightarrow \pi^\star) 2.48          98.7           _            false

From e70e6c2befc357fe44e92ac575a2e1a19680b9c8 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Tue, 27 Oct 2020 15:15:36 +0100
Subject: [PATCH 10/11] Remove ADC data already provided by the ADC paper

---
 .../data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat   | 17 -----------
 .../data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat  | 18 ------------
 .../data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat   | 18 ------------
 .../data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat | 19 ------------
 .../abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat | 14 ---------
 .../cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat  | 14 ---------
 .../data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat  | 13 ---------
 .../cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat    | 20 -------------
 .../cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat | 20 -------------
 .../abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat | 21 --------------
 .../abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat    | 14 ---------
 static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat  | 20 -------------
 .../data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat   | 19 ------------
 .../data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat | 17 -----------
 .../data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat | 13 ---------
 ...thylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat | 16 ----------
 .../data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat  | 14 ---------
 .../data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat  | 22 --------------
 .../abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat     | 20 -------------
 .../data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat  | 24 ---------------
 .../abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat     | 21 --------------
 .../data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat   | 20 -------------
 .../data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat | 29 -------------------
 .../abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat    | 17 -----------
 .../data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat | 22 --------------
 .../abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat   | 12 --------
 .../data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat  | 23 ---------------
 .../cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat   | 11 -------
 .../cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat     | 11 -------
 .../fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat    | 11 -------
 .../data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat | 11 -------
 31 files changed, 541 deletions(-)
 delete mode 100644 static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat

diff --git a/static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 80a5366d..00000000
--- a/static/data/abs/acetone_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,17 +0,0 @@
-# Molecule : Acetone
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.50          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.91          _              _            false
-  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         7.90          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.92          _              _            false
-  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         8.01          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.12          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.01          _              _            false
diff --git a/static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 018a4c1c..00000000
--- a/static/data/abs/acrolein_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,18 +0,0 @@
-# Molecule : Acrolein
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.76          _              _            false
-  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.51          _              _            false
-  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.82          _              _            true
-  1       1     A^\prime   3       1     A^\prime     (\mathrm{R};n \rightarrow 3s)           7.57          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.45          _              _            false
-  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  3.66          _              _            false
-  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.86          _              _            false
-  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.67          _              _            true
diff --git a/static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index b0949b4e..00000000
--- a/static/data/abs/benzene_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,18 +0,0 @@
-# Molecule : Benzene
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.01          _              _            false
-  1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.24          _              _            false
-  1       1     A_{1g}     1       1     E_{1g}       (\mathrm{R};\pi \rightarrow 3p)         6.38          _              _            false
-  1       1     A_{1g}     1       1     A_{2u}       (\mathrm{R};\pi \rightarrow 3p)         6.92          _              _            false
-  1       1     A_{1g}     1       1     E_{2u}       (\mathrm{R};\pi \rightarrow 3p)         7.00          _              _            false
-  1       1     A_{1g}     1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  3.94          _              _            false
-  1       1     A_{1g}     1       3     E_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.60          _              _            false
-  1       1     A_{1g}     1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.51          _              _            false
diff --git a/static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 88360b7c..00000000
--- a/static/data/abs/butadiene_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,19 +0,0 @@
-# Molecule : Butadiene
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_g        1       1     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  6.02          _              _            false
-  1       1     A_g        1       1     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.12          _              _            false
-  1       1     A_g        2       1     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.86          _              _            false
-  1       1     A_g        1       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.44          _              _            false
-  1       1     A_g        2       1     A_u          (\mathrm{R};\pi \rightarrow 3p)         6.59          _              _            false
-  1       1     A_g        2       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.46          _              _            false
-  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  3.09          _              _            false
-  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  4.94          _              _            false
-  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3p)         6.06          _              _            false
diff --git a/static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index c1ce50fe..00000000
--- a/static/data/abs/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,14 +0,0 @@
-# Molecule : Cyanoacetylene
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     \Sigma^-     (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
-  1       1     \Sigma^+   1       1     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
-  1       1     \Sigma^+   1       3     \Sigma^+     (\mathrm{V};\pi \rightarrow \pi^\star)  4.11          _              _            false
-  1       1     \Sigma^+   1       3     \Delta       (\mathrm{V};\pi \rightarrow \pi^\star)  4.80          _              _            false
diff --git a/static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 48ed742e..00000000
--- a/static/data/abs/cyanoformaldehyde_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,14 +0,0 @@
-# Molecule : Cyanoformaldehyde
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.77          _              _            false
-  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  6.07          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.38          _              _            false
-  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.63          _              _            false
diff --git a/static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index e0b47ba7..00000000
--- a/static/data/abs/cyanogen_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Cyanogen
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     \Sigma_g^+ 1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.88          _              _            false
-  1       1     \Sigma_g^+ 1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  6.16          _              _            false
-  1       1     \Sigma_g^+ 1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
diff --git a/static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index afa64232..00000000
--- a/static/data/abs/cyclopentadiene_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,20 +0,0 @@
-# Molecule : Cyclopentadiene
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.35          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.63          _              _            false
-  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.25          _              _            false
-  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.30          _              _            false
-  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.41          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.92          _              _            true
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.05          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.86          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.57          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.20          _              _            false
diff --git a/static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 6d7d694a..00000000
--- a/static/data/abs/cyclopropenethione_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,20 +0,0 @@
-# Molecule : Cyclopropenethione
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.46          _              _            false
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.82          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.72          _              _            false
-  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.41          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.36          _              _            false
-  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.02          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    3.30          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.65          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.96          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.83          _              _            false
diff --git a/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index da66af79..00000000
--- a/static/data/abs/cyclopropenone_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,21 +0,0 @@
-# Molecule : Cyclopropenone
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.66          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.61          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.64          _              _            false
-  1       1     A_1        2       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.83          _              _            false
-  1       1     A_1        3       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.33          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         7.36          _              _            false
-  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  8.17          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.28          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.80          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.36          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.63          _              _            false
diff --git a/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index db20c638..00000000
--- a/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,14 +0,0 @@
-# Molecule : Diacetylene
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.95          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  3.79          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.43          _              _            false
diff --git a/static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index cb80cf5f..00000000
--- a/static/data/abs/furan_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,20 +0,0 @@
-# Molecule : Furan
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.95          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.15          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.48          _              _            false
-  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.49          _              _            false
-  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.67          _              _            false
-  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.09          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.91          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.23          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.89          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.45          _              _            false
diff --git a/static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 313418e2..00000000
--- a/static/data/abs/glyoxal_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,19 +0,0 @@
-# Molecule : Glyoxal
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.83          _              _            false
-  1       1     A_g        1       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    4.23          _              _            false
-  1       1     A_g        2       1     A_g          (\mathrm{V};double)                     5.26          _              _            false
-  1       1     A_g        2       1     B_g          (\mathrm{V};n \rightarrow \pi^\star)    6.80          _              _            false
-  1       1     A_g        1       1     B_u          (\mathrm{R};\pi \rightarrow 3p)         7.86          _              _            false
-  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    2.40          _              _            false
-  1       1     A_g        1       3     B_g          (\mathrm{V};n \rightarrow \pi^\star)    3.85          _              _            false
-  1       1     A_g        1       3     B_u          (\mathrm{V};\pi \rightarrow \pi^\star)  4.83          _              _            false
-  1       1     A_g        1       3     A_g          (\mathrm{V};\pi \rightarrow \pi^\star)  5.93          _              _            false
diff --git a/static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 2b55d262..00000000
--- a/static/data/abs/imidazole_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,17 +0,0 @@
-# Molecule : Imidazole
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.61          _              _            false
-  1       1     A^\prime   2       1     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  6.31          _              _            false
-  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.39          _              _            false
-  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.47          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.57          _              _            false
-  1       1     A^\prime   2       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.49          _              _            false
-  1       1     A^\prime   2       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    6.26          _              _            false
diff --git a/static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index df995f04..00000000
--- a/static/data/abs/isobutene_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Isobutene
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.33          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.82          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.30          _              _            false
diff --git a/static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index f87af8ee..00000000
--- a/static/data/abs/methylenecyclopropene_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Methylenecyclopropene
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.18          _              _            false
-  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.26          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.78          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.91          _              _            true
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.30          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.51          _              _            false
diff --git a/static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 3a025d05..00000000
--- a/static/data/abs/propynal_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,14 +0,0 @@
-# Molecule : Propynal
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.81          _              _            false
-  1       1     A^\prime   2       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  5.20          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    3.45          _              _            false
-  1       1     A^\prime   1       3     A^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  4.10          _              _            false
diff --git a/static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 76b5a241..00000000
--- a/static/data/abs/pyrazine_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,22 +0,0 @@
-# Molecule : Pyrazine
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    4.13          _              _            false
-  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.21          _              _            false
-  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.88          _              _            false
-  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.67          _              _            false
-  1       1     A_g        2       1     A_g          (\mathrm{R};n \rightarrow 3s)           6.96          _              _            false
-  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    7.00          _              _            false
-  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  6.66          _              _            false
-  1       1     A_g        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3p)         7.18          _              _            false
-  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    3.52          _              _            false
-  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.05          _              _            false
-  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.10          _              _            false
-  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.15          _              _            false
diff --git a/static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 89ca3793..00000000
--- a/static/data/abs/pyridazine_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,20 +0,0 @@
-# Molecule : Pyridazine
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.86          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.60          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.18          _              _            false
-  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.74          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           6.67          _              _            false
-  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.62          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    3.12          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.22          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.07          _              _            true
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.46          _              _            false
diff --git a/static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 7a0d8f05..00000000
--- a/static/data/abs/pyridine_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,24 +0,0 @@
-# Molecule : Pyridine
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.99          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.08          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.70          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.17          _              _            false
-  1       1     A_1        3       1     A_1          (\mathrm{R};n \rightarrow 3s)           6.39          _              _            false
-  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.65          _              _            false
-  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         7.21          _              _            false
-  1       1     A_1        4       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.27          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.06          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.43          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.49          _              _            false
-  1       1     A_1        2       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.75          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.62          _              _            false
-  1       1     A_1        2       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.98          _              _            false
diff --git a/static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 82bbfac2..00000000
--- a/static/data/abs/pyrimidine_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,21 +0,0 @@
-# Molecule : Pyrimidine
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.54          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    5.06          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          _              _            false
-  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    6.08          _              _            false
-  1       1     A_1        2       1     B_1          (\mathrm{V};n \rightarrow \pi^\star)    6.52          _              _            false
-  1       1     A_1        2       1     B_2          (\mathrm{R};n \rightarrow 3s)           7.11          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.52          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{V};n \rightarrow \pi^\star)    4.12          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.23          _              _            true
-  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    4.73          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.63          _              _            false
diff --git a/static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 0f6bf963..00000000
--- a/static/data/abs/pyrrole_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,20 +0,0 @@
-# Molecule : Pyrrole
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.14          _              _            false
-  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.89          _              _            false
-  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.91          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  6.11          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  6.29          _              _            false
-  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.69          _              _            false
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  4.26          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.11          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.23          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.84          _              _            false
diff --git a/static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 8c9f6cfb..00000000
--- a/static/data/abs/tetrazine_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,29 +0,0 @@
-# Molecule : Tetrazine
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_g        1       1     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    2.42          _              _            false
-  1       1     A_g        1       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.87          _              _            false
-  1       1     A_g        2       1     A_g          (\mathrm{V};double)                     4.54          _              _            true
-  1       1     A_g        1       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    4.97          _              _            false
-  1       1     A_g        1       1     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.08          _              _            false
-  1       1     A_g        1       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    5.13          _              _            false
-  1       1     A_g        2       1     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.49          _              _            false
-  1       1     A_g        1       1     B_{3g}       (\mathrm{V};double)                     6.54          _              _            true
-  1       1     A_g        2       1     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    6.50          _              _            false
-  1       1     A_g        2       1     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    6.59          _              _            false
-  1       1     A_g        1       3     B_{3u}       (\mathrm{V};n \rightarrow \pi^\star)    1.74          _              _            false
-  1       1     A_g        1       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    3.54          _              _            false
-  1       1     A_g        1       3     B_{1g}       (\mathrm{V};n \rightarrow \pi^\star)    4.06          _              _            false
-  1       1     A_g        1       1     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.14          _              _            true
-  1       1     A_g        1       3     B_{2u}       (\mathrm{V};\pi \rightarrow \pi^\star)  4.06          _              _            false
-  1       1     A_g        1       3     B_{2g}       (\mathrm{V};n \rightarrow \pi^\star)    4.86          _              _            false
-  1       1     A_g        2       3     A_u          (\mathrm{V};n \rightarrow \pi^\star)    5.07          _              _            false
-  1       1     A_g        1       3     B_{3g}       (\mathrm{V};double)                     6.34          _              _            true
-  1       1     A_g        1       3     B_{1u}       (\mathrm{V};\pi \rightarrow \pi^\star)  5.06          _              _            false
diff --git a/static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index 063d1e4e..00000000
--- a/static/data/abs/thioacetone_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,17 +0,0 @@
-# Molecule : Thioacetone
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        1       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.50          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{R};n \rightarrow 3s)           5.65          _              _            false
-  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.53          _              _            false
-  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         6.53          _              _            false
-  1       1     A_1        3       1     A_1          (\mathrm{R};\pi \rightarrow 3p)         6.64          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{V};n \rightarrow \pi^\star)    2.26          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  3.17          _              _            false
diff --git a/static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index f8d25c3f..00000000
--- a/static/data/abs/thiophene_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,22 +0,0 @@
-# Molecule : Thiophene
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1        2       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  5.61          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  5.79          _              _            false
-  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.03          _              _            false
-  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.02          _              _            false
-  1       1     A_1        2       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.14          _              _            false
-  1       1     A_1        2       1     B_1          (\mathrm{R};\pi \rightarrow 3p)         6.43          _              _            false
-  1       1     A_1        2       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         7.18          _              _            false
-  1       1     A_1        3       1     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  7.17          _              _            true
-  1       1     A_1        1       3     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  3.65          _              _            false
-  1       1     A_1        1       3     A_1          (\mathrm{V};\pi \rightarrow \pi^\star)  4.56          _              _            false
-  1       1     A_1        1       3     B_1          (\mathrm{R};\pi \rightarrow 3p)         5.83          _              _            false
-  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.97          _              _            false
diff --git a/static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index c45df247..00000000
--- a/static/data/abs/thiopropynal_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Thiopropynal
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.86          _              _            false
-  1       1     A^\prime   1       3     A^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    1.63          _              _            false
diff --git a/static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat b/static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index ec998313..00000000
--- a/static/data/abs/triazine_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,23 +0,0 @@
-# Molecule : Triazine
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A_1^\prime 1       1     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.83          _              _            false
-  1       1     A_1^\prime 1       1     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.99          _              _            false
-  1       1     A_1^\prime 1       1     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.95          _              _            false
-  1       1     A_1^\prime 1       1     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  5.78          _              _            false
-  1       1     A_1^\prime 2       1     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  6.78          _              _            false
-  1       1     A_1^\prime 1       1     E^\prime     (\mathrm{R};n \rightarrow 3s)           7.68          _              _            false
-  1       1     A_1^\prime 2       1     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  7.88          _              _            false
-  1       1     A_1^\prime 1       3     A_2^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.35          _              _            false
-  1       1     A_1^\prime 1       3     E^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.59          _              _            false
-  1       1     A_1^\prime 1       3     A_1^{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    4.53          _              _            false
-  1       1     A_1^\prime 1       3     A_1^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  4.97          _              _            false
-  1       1     A_1^\prime 1       3     E^\prime     (\mathrm{V};\pi \rightarrow \pi^\star)  5.32          _              _            false
-  1       1     A_1^\prime 1       3     A_2^\prime   (\mathrm{V};\pi \rightarrow \pi^\star)  6.27          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat
deleted file mode 100644
index 5ed7446a..00000000
--- a/static/data/fluo/cyanoacetylene_ADC(2.5)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Cyanoacetylene
-# Comment  : 
-# code     : 
-# method   : ADC(2.5),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  3.21          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index f7ff589a..00000000
--- a/static/data/fluo/cyanoacetylene_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Cyanoacetylene
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
-  1       1     \Sigma^+   1       1     A^{\prime\prime} (\mathrm{V};\pi \rightarrow \pi^\star)  2.78          _              _            false
diff --git a/static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat
deleted file mode 100644
index d40f0336..00000000
--- a/static/data/fluo/cyanogen_ADC(2.5)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Cyanogen
-# Comment  : 
-# code     : 
-# method   : ADC(2.5),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
-  1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.86          _              _            false
diff --git a/static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat
deleted file mode 100644
index aa6021d3..00000000
--- a/static/data/fluo/cyanogen_ADC(3)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Cyanogen
-# Comment  : 
-# code     : 
-# method   : ADC(3),aug-cc-pVTZ
-# geom     : 
-# set      : QUEST#3,2
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
-#######################  #######################  ########################################  ############# ####### ##################### #############
-# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
-  1       1     \Sigma_g^+ 2       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.32          _              _            false

From 2c3a93ac296cd02ed5f74531e1c398726113853e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Tue, 27 Oct 2020 17:26:26 +0100
Subject: [PATCH 11/11] Add missing geometry metadata

---
 static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat            | 2 +-
 .../data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat         | 2 +-
 .../abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat        | 2 +-
 .../abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 2 +-
 .../data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat          | 2 +-
 .../data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat       | 2 +-
 .../abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 .../data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat         | 2 +-
 .../abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat            | 2 +-
 .../data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat      | 2 +-
 .../abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 2 +-
 .../data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat          | 2 +-
 .../data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat            | 2 +-
 .../data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat       | 2 +-
 .../abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 .../data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat            | 2 +-
 .../data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat          | 2 +-
 .../data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat                     | 2 +-
 static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat                    | 2 +-
 static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat       | 2 +-
 .../abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 .../data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat        | 2 +-
 .../abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 2 +-
 .../data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat   | 2 +-
 .../methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 .../abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat          | 2 +-
 .../data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat          | 2 +-
 static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat      | 2 +-
 static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat       | 2 +-
 .../abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 .../data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 2 +-
 static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat | 2 +-
 static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat     | 2 +-
 static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat             | 2 +-
 static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat        | 2 +-
 .../abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 2 +-
 .../data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat            | 2 +-
 .../data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat            | 2 +-
 static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat               | 2 +-
 static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat    | 2 +-
 static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat        | 2 +-
 static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat                | 2 +-
 static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat                  | 2 +-
 static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat                   | 2 +-
 static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat       | 2 +-
 static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat           | 2 +-
 static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat                   | 2 +-
 static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat             | 2 +-
 static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat              | 2 +-
 static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 2 +-
 static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat      | 2 +-
 static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat              | 2 +-
 static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat        | 2 +-
 static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat         | 2 +-
 static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat         | 2 +-
 .../fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 2 +-
 static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 2 +-
 static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat         | 2 +-
 static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat              | 2 +-
 static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat               | 2 +-
 static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat       | 2 +-
 static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat               | 2 +-
 static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat          | 2 +-
 static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat           | 2 +-
 static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat           | 2 +-
 .../data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 2 +-
 static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 2 +-
 static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat           | 2 +-
 static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat          | 2 +-
 static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat           | 2 +-
 static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat           | 2 +-
 .../data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  | 2 +-
 static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   | 2 +-
 static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat           | 2 +-
 static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat                | 2 +-
 static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat                 | 2 +-
 static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 2 +-
 static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat         | 2 +-
 static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat                 | 2 +-
 static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat        | 2 +-
 static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat         | 2 +-
 static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat         | 2 +-
 .../fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat     | 2 +-
 static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat | 2 +-
 static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat         | 2 +-
 static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat      | 2 +-
 static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat       | 2 +-
 static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat       | 2 +-
 .../fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   | 2 +-
 .../data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  | 2 +-
 static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat       | 2 +-
 402 files changed, 402 insertions(+), 402 deletions(-)

diff --git a/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index cd0b07f1..9b2e587e 100644
--- a/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index 3a7e60a5..f6af01e9 100644
--- a/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index 62428352..bfcb8647 100644
--- a/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 5b64968f..37f254bb 100644
--- a/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 5eeeb198..031763cc 100644
--- a/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index dbeb644f..41126ce2 100644
--- a/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
index b71f39dc..3eae190c 100644
--- a/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat
index 8b2f74ab..13381748 100644
--- a/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat
index 3b984bf4..17263cfa 100644
--- a/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 27da7efd..170daabc 100644
--- a/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index f7a56d12..dca510de 100644
--- a/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat
index f63558e7..92fa32bf 100644
--- a/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
index 0495dd61..93b2e14c 100644
--- a/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat
index 6d9b140e..6a593e1d 100644
--- a/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat
index 7dae36c1..3baae4b3 100644
--- a/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index de4da031..5b340d91 100644
--- a/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 73f71549..d6cf03fa 100644
--- a/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat
index 9b40994a..96ba018c 100644
--- a/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
index 2d2669ab..4e6400ea 100644
--- a/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat
index fe7121e9..1099ca25 100644
--- a/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat
index 269afab4..4568c503 100644
--- a/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 88ba48ef..083dc6c3 100644
--- a/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index cac4e734..62351ca6 100644
--- a/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat
index 24ab2d0d..14c56bec 100644
--- a/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
index 6721c6ac..8acbaf02 100644
--- a/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat
index 81205435..49ec866a 100644
--- a/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat
index a1e694cc..f2c84cfd 100644
--- a/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index c8048ecf..97bb9546 100644
--- a/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 69453801..5757bf1a 100644
--- a/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat
index 096e9d76..8a2974e8 100644
--- a/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
index cd7440e5..d224aac3 100644
--- a/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat
index 25de25c0..713826ea 100644
--- a/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat
index 920d8e80..6f3304ef 100644
--- a/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index ef7681f9..ab978c37 100644
--- a/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 68d3c2d4..c7cbde03 100644
--- a/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat
index 8d20a593..0cf81d3d 100644
--- a/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
index 7534d5d5..1eee3132 100644
--- a/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat
index 0ff002b2..03fed1f3 100644
--- a/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat
index d1500f36..321e0382 100644
--- a/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index ef95ccd6..e2fd4d2f 100644
--- a/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index c7e26c2f..fed71bc2 100644
--- a/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat
index c0fa140c..e2b36be0 100644
--- a/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
index 44dbbca0..571fb3b2 100644
--- a/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
index 4967de82..8d2e5bb3 100644
--- a/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat
index 8791d288..7c37c4a6 100644
--- a/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 020fd3bc..7374566b 100644
--- a/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 985e99b1..d81881c8 100644
--- a/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat
index 18541594..ed59c960 100644
--- a/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
index 6f4bc070..b9980291 100644
--- a/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
index e5a855a5..464e7880 100644
--- a/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat
index 3715c608..79fdadc7 100644
--- a/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 8203cdd0..d8739893 100644
--- a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index f4957654..9b0f9ca7 100644
--- a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat
index 9b903c64..c879f641 100644
--- a/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
index efff80ee..5aa61060 100644
--- a/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
index 081bfdff..f4bd69ec 100644
--- a/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
index 85445aa2..a844f698 100644
--- a/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 954fdbc4..aa2faf0c 100644
--- a/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index cab15d05..d5687158 100644
--- a/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
index 49804f05..5b735646 100644
--- a/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat
index 2f735f8c..5059b6a3 100644
--- a/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat
index 4a8844dc..a9f84170 100644
--- a/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat
index 82052a50..ca7d66da 100644
--- a/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 33cb1c8c..a36ceb92 100644
--- a/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 1153a502..cf000b4a 100644
--- a/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat
index 043ace02..a306bc0d 100644
--- a/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
index f55282de..9173bc9b 100644
--- a/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
index d30ff1f7..6e20b272 100644
--- a/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
index b30c4f89..06130f87 100644
--- a/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index f91a3cc0..9cb38c62 100644
--- a/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index f05540b1..ea3ec27e 100644
--- a/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
index 0fb090fa..72827461 100644
--- a/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
index 8bf6f97e..b1817d7d 100644
--- a/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
index 9f6420e3..4335886d 100644
--- a/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
index 7a87acd1..23155132 100644
--- a/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 939c250c..f1ee166a 100644
--- a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 71e63885..39aa5db7 100644
--- a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
index 3f4914d9..898884b8 100644
--- a/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index 37a0df9b..d9607142 100644
--- a/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index 1c153838..54107db5 100644
--- a/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index 89f0852d..00ebd64c 100644
--- a/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 4377caac..e2a42182 100644
--- a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 18be6943..8a2c7ab6 100644
--- a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index d7ba9b47..c0bc5292 100644
--- a/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
index 8c14e4b6..3cc89a4a 100644
--- a/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
index 48d7d0c9..af4e678c 100644
--- a/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
index 27fa5e08..ea821158 100644
--- a/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index b818101c..139f939f 100644
--- a/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 0ab3426c..81eac69d 100644
--- a/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
index 0e842a62..5ca97825 100644
--- a/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
index bc45c484..be0f0a20 100644
--- a/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
index 77cfa67b..1157f6ea 100644
--- a/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
index 444e8ba4..6941a21f 100644
--- a/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 4c71a117..61378d24 100644
--- a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 6d8200b7..0ca7da36 100644
--- a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
index d2a31c06..64800cc3 100644
--- a/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
index 8cd6a120..cbe46f21 100644
--- a/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
index 9d350545..7b3519fd 100644
--- a/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
index 84ee8896..ded4b2b0 100644
--- a/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 1a231a12..a45aa4bb 100644
--- a/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index ac721991..339c82b7 100644
--- a/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
index 0fa457ae..75623b2e 100644
--- a/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
index ad89c77a..0cb15821 100644
--- a/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
index 591e3c27..78c3d59b 100644
--- a/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
index 60290e98..7a6b1eaa 100644
--- a/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 45beb66a..f5a453d6 100644
--- a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index fc412efc..ba968b3a 100644
--- a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
index 43dd4beb..6e02f559 100644
--- a/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
index 6f8ff460..662f8250 100644
--- a/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
index a90fb40f..4a98876b 100644
--- a/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
index d9afb275..417dc6e4 100644
--- a/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index f4a9fc64..8da3bf82 100644
--- a/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8b5e48ab..8131bab2 100644
--- a/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
index 929c1b9f..236aff43 100644
--- a/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
index 54f65998..47537264 100644
--- a/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
index 1a4dd0c5..d72a302a 100644
--- a/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
index 0fcf9250..42c5b336 100644
--- a/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 8f7ae7b8..c9093367 100644
--- a/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 094b5524..f11a0c56 100644
--- a/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
index f238e9f9..6c78277c 100644
--- a/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
index f66616d6..e2ac278f 100644
--- a/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
index eae7a349..0552bd20 100644
--- a/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
index ac3fc3f6..c0fe39f3 100644
--- a/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 9dfc1f67..64b20856 100644
--- a/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 2fc58d84..89178acd 100644
--- a/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
index 32de0b41..1c8052e5 100644
--- a/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
index 17c87ac7..79dec20e 100644
--- a/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
index 5fd655d9..2de656b2 100644
--- a/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
index 24cb5ea6..fa03d6d7 100644
--- a/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index becd1e67..ef5f7ae5 100644
--- a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index e9d753cd..177fc5ab 100644
--- a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
index a78e4614..b94cbaed 100644
--- a/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
index 6fdd7f52..c7015565 100644
--- a/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
index 9b08cfdc..2a50d1d0 100644
--- a/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
index 371dcaa7..31bff73a 100644
--- a/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 7bf0781d..a840924c 100644
--- a/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 5bceb079..928848e3 100644
--- a/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
index 352abb5a..fc225a51 100644
--- a/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
index 46e30216..f4ea750e 100644
--- a/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat
index dbd469a0..99e910be 100644
--- a/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat
index 24042430..6230a83f 100644
--- a/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 744b1bf0..dc4b9024 100644
--- a/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8c5af90e..9115afd4 100644
--- a/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat
index a26aec7e..15fc82c4 100644
--- a/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index 9f61074c..6d89e66a 100644
--- a/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index f78b374f..3c6ab6c3 100644
--- a/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index 5461b474..33c377c0 100644
--- a/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 36b53955..1bc569af 100644
--- a/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 9015129c..ff652ee5 100644
--- a/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index 76a9378a..5c4e07a0 100644
--- a/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat
index 39c1671c..a8ec36d5 100644
--- a/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat
index db86c003..b0ddc0f4 100644
--- a/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat
index 390b2698..3533c9c1 100644
--- a/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index f8c11be2..7a875a63 100644
--- a/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 3586db3e..42d9c927 100644
--- a/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat
index 4f1a2211..c98491a5 100644
--- a/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
index d631e4c4..35dcc1b7 100644
--- a/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
index b70bf2aa..25a3d194 100644
--- a/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat
index dd13b363..a9968683 100644
--- a/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index cfc466e2..e253b5a5 100644
--- a/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 33fc49d5..bdc3d370 100644
--- a/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
index 5ab75e72..83dacc30 100644
--- a/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
index 3e472d33..e51dc939 100644
--- a/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat
index 643bd1e5..65bcb1b2 100644
--- a/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat
index 451ff580..39740f16 100644
--- a/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index c2e57751..cd64aed5 100644
--- a/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 7210945d..e1be52a3 100644
--- a/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat
index 968dcd73..3184a81b 100644
--- a/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
index 6ddfa42d..55ab83a3 100644
--- a/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat
index ab66f511..c3abc57a 100644
--- a/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat
index 0d838db6..6e2916e0 100644
--- a/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 1644f9fb..fe014e13 100644
--- a/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index f5b33d46..226508a2 100644
--- a/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat
index c0357fb3..3535e7d2 100644
--- a/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
index 4900023c..3e01abeb 100644
--- a/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat
index 57ff8b99..36af6f4c 100644
--- a/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat
index 584ee000..10ee5955 100644
--- a/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index c8328f75..b4b411f5 100644
--- a/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 4b70a95c..f3a7457e 100644
--- a/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat
index a89f2aa8..04115e80 100644
--- a/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
index fa93a40a..8ec85d9a 100644
--- a/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat
index 3408b381..2779399c 100644
--- a/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat
index 03c2072f..4cd2ea69 100644
--- a/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index b140bc94..0e6d43f8 100644
--- a/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index ba2434ac..8c418623 100644
--- a/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat
index d2ef4eab..28e7d8be 100644
--- a/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
index e0162fb1..78f3e58b 100644
--- a/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat
index a3d90aea..07cfcf49 100644
--- a/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat
index b0dd9f31..aea8f394 100644
--- a/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index eca1c524..92e85485 100644
--- a/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index fd4d8483..7c150f12 100644
--- a/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat
index 155908da..344dd727 100644
--- a/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
index 97c761d7..d6a0c7cf 100644
--- a/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat
index 1df6adc5..8b177df6 100644
--- a/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat
index eac4b29d..ecc7bb58 100644
--- a/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index e24923a8..7e2e679b 100644
--- a/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8408c5e2..7e1e04da 100644
--- a/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat
index 3cdeb011..ef66c73c 100644
--- a/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
index e914424e..a94554fd 100644
--- a/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat
index 1f30e807..efe869f3 100644
--- a/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat
index ad44cc09..0ca6e77e 100644
--- a/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index aae18976..1d6ab9db 100644
--- a/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index f00e5f65..c7cb4066 100644
--- a/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat
index 69b73fc2..89f46238 100644
--- a/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
index 343eb5d9..82a4e9a0 100644
--- a/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
index c015a7b9..c558e1ce 100644
--- a/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
index 26ff7b3d..ba82f112 100644
--- a/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index ccd4928f..51855b9b 100644
--- a/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index c830eeba..96c32bb5 100644
--- a/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
index 911327f7..4602597b 100644
--- a/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
index acbd835a..499fc069 100644
--- a/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
index 6979b5ed..da8d10cd 100644
--- a/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat
index 2569818d..24e64968 100644
--- a/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 095acef9..a478abd0 100644
--- a/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 65c87404..070e646d 100644
--- a/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat
index 90cff58d..751a591f 100644
--- a/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
index 4153db19..fde8ac79 100644
--- a/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
index a5e33ead..af43387c 100644
--- a/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat
index 123b0b98..22c3c42b 100644
--- a/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index c226a174..1e81cb85 100644
--- a/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 288d6f6b..3b92174f 100644
--- a/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat
index 41489df5..85a82946 100644
--- a/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat
index e7454e0c..a3be33bc 100644
--- a/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat
index b421f0b8..f9646144 100644
--- a/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat
index 9bdbd00f..1dd875a1 100644
--- a/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index f5f4f724..794f0999 100644
--- a/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index efbcd238..2fddf10b 100644
--- a/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat
index dcda0b86..9d19942e 100644
--- a/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
index b2e8d65b..d0a0c15c 100644
--- a/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat
index f3cdd93f..57f97e51 100644
--- a/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat
index 48b3d05c..db574de5 100644
--- a/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 6dde75a5..1737f4c9 100644
--- a/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 740029fe..17cf215c 100644
--- a/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat
index 5819d004..1e85b61a 100644
--- a/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat
index 093d6f05..574d8479 100644
--- a/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat
index 40312895..f3844194 100644
--- a/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat
index 37bde5c4..c73f926b 100644
--- a/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index ac624170..c61d170f 100644
--- a/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 51370d75..5d30b53b 100644
--- a/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat
index 1e5cf01f..4cc574a9 100644
--- a/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat
index 0b5e7175..a4625824 100644
--- a/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat
index 120eed27..e5624af3 100644
--- a/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat
index c7917a9c..e29d3fa9 100644
--- a/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 234b52d1..723c7313 100644
--- a/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index dce850bf..513cafaf 100644
--- a/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat
index 48927747..bd20a0a3 100644
--- a/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
index 2a35a2b7..fe4afaf1 100644
--- a/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
index e26cc8b5..c1924a5f 100644
--- a/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat
index e78bacc8..ab28181d 100644
--- a/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index e91dabfc..89aaeb96 100644
--- a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index a5eee40e..0a0b968e 100644
--- a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat
index 105ef8dd..4d0a0448 100644
--- a/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
index 357c995c..5a38e655 100644
--- a/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
index 1672a8c9..38fcc566 100644
--- a/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
index 27dc9420..eaafec07 100644
--- a/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 387e6373..1d14061e 100644
--- a/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index c5df9be6..71253c27 100644
--- a/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
index 5a2eff3d..022babb4 100644
--- a/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
index 28985e20..4c6bc299 100644
--- a/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat
index f67e69f8..de71047b 100644
--- a/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat
index 723d74f2..3ec66936 100644
--- a/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index de6fdb31..92ed36c9 100644
--- a/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 15be9979..3db8444c 100644
--- a/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat
index 00afeff7..c7a6b26c 100644
--- a/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
index d84c27ba..664cb58a 100644
--- a/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat
index 6adeebb5..c76feba8 100644
--- a/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat
index 0c1e5704..e77165b2 100644
--- a/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index d66724c2..d44a5c65 100644
--- a/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index ee02b6da..402f47eb 100644
--- a/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat
index 28d2da6a..46862623 100644
--- a/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
index 437247c0..72829f0d 100644
--- a/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat
index 7341ccc7..a1d73175 100644
--- a/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat
index aa42e95d..5f0239c4 100644
--- a/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 53e826a4..89115748 100644
--- a/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index ce3e3c0b..c1ac3c72 100644
--- a/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat
index 56a7486c..f94ee76b 100644
--- a/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
index d09cf8cf..63a34f72 100644
--- a/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat
index 9384f6be..3a42bbf7 100644
--- a/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat
index 1e88fcf0..a4e7fcbd 100644
--- a/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 03c10746..3c648310 100644
--- a/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 621a9687..0b1bd25d 100644
--- a/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat
index 0db021b5..a678132b 100644
--- a/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
index 39bb73a0..339914bd 100644
--- a/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
index deaa01eb..d8dda341 100644
--- a/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat
index 6cbb518b..49c65b8b 100644
--- a/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 0b6ad422..b31aa003 100644
--- a/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 53b53380..c98d990f 100644
--- a/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat
index cf13951a..d5c5d6f3 100644
--- a/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
index f68f6b1b..05828b04 100644
--- a/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat
index 65d2c603..a3e2fafb 100644
--- a/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat
index 9a05f30d..c465d672 100644
--- a/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index bda3925d..cdf414b4 100644
--- a/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 17d1c017..47fd666c 100644
--- a/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat
index 37389d08..baf70fcc 100644
--- a/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
index bf19c2fd..5ea15886 100644
--- a/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
index c4065f80..24f1ed1f 100644
--- a/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
index 0eb5968a..92d20f71 100644
--- a/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index c8e58756..740e5ae5 100644
--- a/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8de2cfed..11bce2e3 100644
--- a/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
index 57f69b6b..a0de6708 100644
--- a/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
index 27344dd7..d6e56900 100644
--- a/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat
index e0900410..fd6964aa 100644
--- a/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat
index 664b51ca..3fce8ec1 100644
--- a/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 485b7583..bf53f740 100644
--- a/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index fcede20e..dbc528f7 100644
--- a/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat
index 74f34d27..dc34c60a 100644
--- a/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
index 47c2cbb6..cb0e1d49 100644
--- a/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
index 5d1b8746..4e9d6397 100644
--- a/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat
index 0142ee68..fc29ae16 100644
--- a/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 833616c2..a5c1b22e 100644
--- a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index d8862ae5..0952ffd4 100644
--- a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat
index 7ff3c64f..ecdf4718 100644
--- a/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
index b8e385ee..524d6a30 100644
--- a/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat
index 6d82773b..ec301088 100644
--- a/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat
index 43f75d25..e0f1aa74 100644
--- a/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index a1dcf0a2..924487db 100644
--- a/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index fe90864d..1aba2b27 100644
--- a/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat
index a65312ce..79fb6f0f 100644
--- a/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
index e78e401c..9addaf27 100644
--- a/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat
index 4ed4e5a3..1f0e55db 100644
--- a/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat
index 6d7cfb42..5e980c75 100644
--- a/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index d1a71f0a..f2523fa2 100644
--- a/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index b002402d..17970818 100644
--- a/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat
index ab7b0f9f..64c8d2ee 100644
--- a/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index 4ac78dfb..48e0b205 100644
--- a/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index bd5bd53c..bc547bf1 100644
--- a/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index a74c52e4..e8fb8d28 100644
--- a/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index fda5ed1b..9d0a348f 100644
--- a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 7e13bbd4..b2865c8a 100644
--- a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index c1cd1e91..ac13c57d 100644
--- a/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
index 92d45556..b0e3481a 100644
--- a/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat
index 699e4d85..d566335c 100644
--- a/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat
index aa40e771..6cd47bd6 100644
--- a/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 5c844466..25e2e1d8 100644
--- a/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 946e0ada..9fa1a1b1 100644
--- a/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat
index a2df7c39..4ea64ffd 100644
--- a/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
index 9b23d43e..adc7568c 100644
--- a/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
index f563fc84..1de38113 100644
--- a/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat
index 56e37f33..1d4580f5 100644
--- a/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 55e879ca..18516603 100644
--- a/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 06943d26..e1dc7959 100644
--- a/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat
index 1b261fa7..13f2f9b6 100644
--- a/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
index dd9837ba..623f1d3f 100644
--- a/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat
index 9520f5dd..8ed6a882 100644
--- a/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat
index 571545a4..ca989d03 100644
--- a/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index fd298253..9a028611 100644
--- a/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index fc44418b..74e549a3 100644
--- a/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat
index 3b49a746..ecb5fd30 100644
--- a/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
index 13a1b3b2..edd21230 100644
--- a/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat
index 217667aa..d0a02f2d 100644
--- a/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat
index 277545c7..bdab72de 100644
--- a/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 24091a9a..67b42667 100644
--- a/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index f378d8c0..32c87fa5 100644
--- a/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat
index 46c55320..5b6901c8 100644
--- a/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
index 7cbc054f..0ca54299 100644
--- a/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat
index 86347b18..0afee951 100644
--- a/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat
index 52a1c67a..d1b830dc 100644
--- a/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 1955b442..beeb6a09 100644
--- a/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 1b86af78..3633f690 100644
--- a/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat
index 9e15a731..4f090e92 100644
--- a/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
index 81699499..c51d71d0 100644
--- a/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
index ddd752e5..913f592f 100644
--- a/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
index 875d8e51..2d460b09 100644
--- a/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index fd773ebf..76bf9d99 100644
--- a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index aa5fbdb5..4b7aae4f 100644
--- a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
index 10fece0e..f05f36de 100644
--- a/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
index d04cb4ea..75d932d9 100644
--- a/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
index 8e621ee9..ca0eb994 100644
--- a/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
index 05a8e49a..a07bb0ba 100644
--- a/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 26dc69e0..bb81368e 100644
--- a/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 2cd51574..09a6f926 100644
--- a/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
index a044429e..e1da6445 100644
--- a/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
index 44e14bd2..96f9ea3e 100644
--- a/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
index 55065a2f..389cbbdc 100644
--- a/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
index 02569bd6..1283ce69 100644
--- a/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 982bb9d2..a6cfd023 100644
--- a/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index c7ad2389..ff056633 100644
--- a/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
index ac6f60ab..a6dc7867 100644
--- a/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index 64a1686e..59a25efe 100644
--- a/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index 254077a6..4a5732f6 100644
--- a/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index 7fcbf8f1..2a0455b1 100644
--- a/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 436a4a16..f63e4b71 100644
--- a/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 793bce61..91747999 100644
--- a/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index b07133bf..77c9337f 100644
--- a/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
index 1ee626ea..10957f00 100644
--- a/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat
index 26782762..896720e1 100644
--- a/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat
index 7bee613a..299672a6 100644
--- a/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index d82b6de0..969cbaeb 100644
--- a/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8ecf4adf..6424fed9 100644
--- a/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat
index 5d79b1f6..2e1cf3fc 100644
--- a/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
index d83e6c7a..5f30df92 100644
--- a/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
index 1b6ed711..5090b0ab 100644
--- a/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
index 4a5acaf3..8c449ef0 100644
--- a/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 9ca1c03e..2f4ad737 100644
--- a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 8e9154d3..dc4aeb1b 100644
--- a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
index d1b48ad3..44c2cd66 100644
--- a/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
index c2e384c0..b34b9a3c 100644
--- a/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
index a8b80235..fc183959 100644
--- a/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : CCSD(2),aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
index ca15e595..8f4d97b9 100644
--- a/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SCS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 9a2e0696..2b82e38a 100644
--- a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index 7aaa204d..cb6bba3e 100644
--- a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-ADC(2) [TM],aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
diff --git a/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
index 3147d630..51b7a17b 100644
--- a/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -2,7 +2,7 @@
 # Comment  : 
 # code     : 
 # method   : SOS-CC2,aug-cc-pVTZ
-# geom     : 
+# geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe