From bb0aa13dbf3565c9d67773d560d55441a2574185 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Mon, 9 Nov 2020 10:53:26 +0100
Subject: [PATCH] Fix data for new methods

---
 docs/examples/other/xls-addon.tex             | 758 +++++++++---------
 .../abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat |  11 -
 ...t => acetaldehyde_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat |  15 -
 ...TZ.dat => acetone_EOM-MP2_aug-cc-pVTZ.dat} |   8 +-
 .../data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat  |   6 +-
 ...cetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   6 +-
 .../acetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |   6 +-
 .../data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat  |   6 +-
 .../abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat    |  12 -
 ....dat => acetylene_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat     |  14 -
 ...Z.dat => acrolein_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat |  14 -
 ...TZ.dat => ammonia_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 .../data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat  |   4 +-
 ...mmonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 .../ammonia_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |   4 +-
 .../data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat  |   4 +-
 .../data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat |  15 -
 ...TZ.dat => benzene_EOM-MP2_aug-cc-pVTZ.dat} |   4 +-
 .../data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat  |   2 +-
 ...enzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 .../benzene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |   2 +-
 .../data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat  |   2 +-
 .../abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat    |  15 -
 ....dat => butadiene_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 .../abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat     |   4 +-
 ...adiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 .../butadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   4 +-
 .../abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat     |   4 +-
 .../carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat  |  16 -
 ...> carbon_monoxide_EOM-MP2_aug-cc-pVTZ.dat} |  10 +-
 .../carbon_monoxide_SCS-CC2_aug-cc-pVTZ.dat   |   8 +-
 ...noxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   8 +-
 ...n_monoxide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   8 +-
 .../carbon_monoxide_SOS-CC2_aug-cc-pVTZ.dat   |   8 +-
 .../carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat |  11 -
 .../carbonylfluoride_CCSD(2)_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  |   4 +-
 .../ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  |   4 +-
 .../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 |  11 -
 static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat  |  11 -
 static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat  |   2 +-
 .../cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  |   2 +-
 .../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  |  11 -
 static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat   |  12 -
 .../cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat   |  12 -
 ...=> cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 ...cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat |  12 -
 ...cyanoformaldehyde_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat     |  12 -
 ...Z.dat => cyanogen_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat  |  16 -
 ...> cyclopentadiene_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 .../cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat   |   4 +-
 ...adiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 ...pentadiene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   4 +-
 .../cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat   |   4 +-
 .../abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat |  12 -
 ...t => cyclopropene_EOM-MP2_aug-cc-pVTZ.dat} |   4 +-
 .../abs/cyclopropene_SCS-CC2_aug-cc-pVTZ.dat  |   2 +-
 ...ropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 ...clopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   2 +-
 .../abs/cyclopropene_SOS-CC2_aug-cc-pVTZ.dat  |   2 +-
 ...yclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat |  16 -
 ...yclopropenethione_EOM-MP2_aug-cc-pVTZ.dat} |   4 +-
 ...cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat |   2 +-
 ...thione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 ...penethione_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   2 +-
 ...cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat |   2 +-
 .../cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat   |  15 -
 ...=> cyclopropenone_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 .../cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat    |   4 +-
 ...penone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 ...opropenone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   4 +-
 .../cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat    |   4 +-
 .../abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat  |  12 -
 ...at => diacetylene_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat |  13 -
 ...t => diazomethane_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 .../abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat  |   4 +-
 ...ethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 ...azomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   4 +-
 .../abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat  |   4 +-
 ...difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat |  13 -
 .../difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat |  16 -
 .../abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat   |  16 -
 ...dat => dinitrogen_EOM-MP2_aug-cc-pVTZ.dat} |   8 +-
 .../abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat    |   6 +-
 ...trogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   6 +-
 ...dinitrogen_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   6 +-
 .../abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat    |   6 +-
 .../abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat     |  13 -
 ...Z.dat => ethylene_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 .../data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat |   4 +-
 ...hylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 .../ethylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  |   4 +-
 .../data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat |   4 +-
 .../abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat |  17 -
 ...t => formaldehyde_EOM-MP2_aug-cc-pVTZ.dat} |  16 +-
 .../abs/formaldehyde_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 +-
 .../abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat  |  14 +-
 .../abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat    |  11 -
 ....dat => formamide_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat   |  11 -
 .../formylfluoride_CCSD(2)_aug-cc-pVTZ.dat    |  12 -
 .../formylfluoride_SCS-CC2_aug-cc-pVTZ.dat    |   2 +-
 ...uoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 ...ylfluoride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   2 +-
 .../data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat   |  15 -
 ...pVTZ.dat => furan_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat |   4 +-
 .../furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 .../abs/furan_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   4 +-
 static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat |   4 +-
 .../data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat |  15 -
 ...TZ.dat => glyoxal_EOM-MP2_aug-cc-pVTZ.dat} |   4 +-
 .../data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat  |   2 +-
 ...lyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 .../glyoxal_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |   2 +-
 .../data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat  |   2 +-
 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  |   2 +-
 .../hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat  |   2 +-
 .../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  |  11 -
 static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat   |  11 -
 static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat   |   2 +-
 .../hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat   |   2 +-
 .../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  |  12 -
 static/data/abs/hcp_CCSD(2)_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/hps_CCCSDT-3_aug-cc-pVTZ.dat  |  11 -
 static/data/abs/hps_CCSD(2)_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 -
 ...hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat |  11 -
 ...hydrogen_chloride_EOM-MP2_aug-cc-pVTZ.dat} |   4 +-
 .../hydrogen_chloride_SCS-CC2_aug-cc-pVTZ.dat |   2 +-
 ...loride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 ...n_chloride_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   2 +-
 .../hydrogen_chloride_SOS-CC2_aug-cc-pVTZ.dat |   2 +-
 .../hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat |  12 -
 ... hydrogen_sulfide_EOM-MP2_aug-cc-pVTZ.dat} |  10 +-
 .../hydrogen_sulfide_SCS-CC2_aug-cc-pVTZ.dat  |   8 +-
 ...ulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   8 +-
 ...en_sulfide_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   8 +-
 .../hydrogen_sulfide_SOS-CC2_aug-cc-pVTZ.dat  |   8 +-
 .../abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat    |  14 -
 ....dat => imidazole_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 .../abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat     |   4 +-
 ...dazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 .../imidazole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   4 +-
 .../abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat     |   4 +-
 .../abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat    |  12 -
 ....dat => isobutene_EOM-MP2_aug-cc-pVTZ.dat} |   4 +-
 .../abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat     |   2 +-
 ...butene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 .../isobutene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   2 +-
 .../abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat     |   2 +-
 .../data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat  |  13 -
 ...VTZ.dat => ketene_EOM-MP2_aug-cc-pVTZ.dat} |   4 +-
 .../data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat   |   2 +-
 ...ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 .../ketene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    |   2 +-
 .../data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat   |   2 +-
 .../abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat  |  11 -
 ...at => methanimine_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 ...ylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat |  14 -
 ...ylenecyclopropene_EOM-MP2_aug-cc-pVTZ.dat} |   4 +-
 ...hylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat |   2 +-
 ...ropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 ...clopropene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   2 +-
 ...hylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat |   2 +-
 .../nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat   |  13 -
 ...=> nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat} |   4 +-
 .../nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat    |   2 +-
 ...ethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 ...osomethane_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   2 +-
 .../nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat    |   2 +-
 .../abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat     |  12 -
 ...Z.dat => propynal_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat     |  21 -
 ...Z.dat => pyrazine_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 .../data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat |   4 +-
 ...razine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 .../pyrazine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  |   4 +-
 .../data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat |   4 +-
 .../abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat   |  17 -
 ...dat => pyridazine_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat     |  18 -
 ...Z.dat => pyridine_EOM-MP2_aug-cc-pVTZ.dat} |   4 +-
 .../data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat |   2 +-
 ...ridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   2 +-
 .../pyridine_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat  |   2 +-
 .../data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat |   2 +-
 .../abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat   |  17 -
 ...dat => pyrimidine_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat |  16 -
 ...TZ.dat => pyrrole_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 .../data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat  |   4 +-
 ...yrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 .../pyrrole_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat   |   4 +-
 .../data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat  |   4 +-
 .../data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat   |  11 -
 static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat |  12 -
 .../abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat   |  12 -
 .../abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat    |  12 -
 .../abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat    |   4 +-
 ...lidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 ...silylidene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   4 +-
 .../abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat    |   4 +-
 ...streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat |  11 -
 ...streptocyanine-c1_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat    |  18 -
 ....dat => tetrazine_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat  |  15 -
 ...at => thioacetone_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 .../abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat   |   4 +-
 ...cetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 ...hioacetone_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   4 +-
 .../abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat   |   4 +-
 .../thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat |  13 -
 ... thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat    |  18 -
 ....dat => thiophene_EOM-MP2_aug-cc-pVTZ.dat} |   8 +-
 .../abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat     |   6 +-
 ...ophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   6 +-
 .../thiophene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   6 +-
 .../abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat     |   6 +-
 .../abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat |  11 -
 ...t => thiopropynal_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat     |  16 -
 ...Z.dat => triazine_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat   |  13 -
 ...pVTZ.dat => water_EOM-MP2_aug-cc-pVTZ.dat} |   6 +-
 static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat |   4 +-
 .../water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat |   4 +-
 .../abs/water_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat |   4 +-
 static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat |   4 +-
 .../fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat   |  12 -
 ....dat => acetylene_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat   |  11 -
 ...=> cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat    |  11 -
 ...Z.dat => cyanogen_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../diazomethane_CCCSDT-3_aug-cc-pVTZ.dat     |  11 -
 ...t => diazomethane_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat     |  11 -
 ...t => formaldehyde_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat |  11 -
 ...VTZ.dat => ketene_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat   |  11 -
 ...=> nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 .../thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat |  11 -
 ... thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat} |   2 +-
 270 files changed, 753 insertions(+), 1806 deletions(-)
 delete mode 100644 static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat => acetaldehyde_EOM-MP2_aug-cc-pVTZ.dat} (96%)
 delete mode 100644 static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{acetone_CCSD(2)_aug-cc-pVTZ.dat => acetone_EOM-MP2_aug-cc-pVTZ.dat} (85%)
 delete mode 100644 static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{acetylene_CCSD(2)_aug-cc-pVTZ.dat => acetylene_EOM-MP2_aug-cc-pVTZ.dat} (97%)
 delete mode 100644 static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{acrolein_CCSD(2)_aug-cc-pVTZ.dat => acrolein_EOM-MP2_aug-cc-pVTZ.dat} (97%)
 delete mode 100644 static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{ammonia_CCSD(2)_aug-cc-pVTZ.dat => ammonia_EOM-MP2_aug-cc-pVTZ.dat} (87%)
 delete mode 100644 static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{benzene_CCSD(2)_aug-cc-pVTZ.dat => benzene_EOM-MP2_aug-cc-pVTZ.dat} (94%)
 delete mode 100644 static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{butadiene_CCSD(2)_aug-cc-pVTZ.dat => butadiene_EOM-MP2_aug-cc-pVTZ.dat} (91%)
 delete mode 100644 static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat => carbon_monoxide_EOM-MP2_aug-cc-pVTZ.dat} (86%)
 delete mode 100644 static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat => cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat} (97%)
 delete mode 100644 static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat => cyanoformaldehyde_EOM-MP2_aug-cc-pVTZ.dat} (97%)
 delete mode 100644 static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{cyanogen_CCSD(2)_aug-cc-pVTZ.dat => cyanogen_EOM-MP2_aug-cc-pVTZ.dat} (96%)
 delete mode 100644 static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat => cyclopentadiene_EOM-MP2_aug-cc-pVTZ.dat} (91%)
 delete mode 100644 static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{cyclopropene_CCSD(2)_aug-cc-pVTZ.dat => cyclopropene_EOM-MP2_aug-cc-pVTZ.dat} (90%)
 delete mode 100644 static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat => cyclopropenethione_EOM-MP2_aug-cc-pVTZ.dat} (95%)
 delete mode 100644 static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat => cyclopropenone_EOM-MP2_aug-cc-pVTZ.dat} (92%)
 delete mode 100644 static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{diacetylene_CCSD(2)_aug-cc-pVTZ.dat => diacetylene_EOM-MP2_aug-cc-pVTZ.dat} (97%)
 delete mode 100644 static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{diazomethane_CCSD(2)_aug-cc-pVTZ.dat => diazomethane_EOM-MP2_aug-cc-pVTZ.dat} (89%)
 delete mode 100644 static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{dinitrogen_CCSD(2)_aug-cc-pVTZ.dat => dinitrogen_EOM-MP2_aug-cc-pVTZ.dat} (89%)
 delete mode 100644 static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{ethylene_CCSD(2)_aug-cc-pVTZ.dat => ethylene_EOM-MP2_aug-cc-pVTZ.dat} (88%)
 delete mode 100644 static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{formaldehyde_CCSD(2)_aug-cc-pVTZ.dat => formaldehyde_EOM-MP2_aug-cc-pVTZ.dat} (80%)
 delete mode 100644 static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{formamide_CCSD(2)_aug-cc-pVTZ.dat => formamide_EOM-MP2_aug-cc-pVTZ.dat} (96%)
 delete mode 100644 static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{furan_CCSD(2)_aug-cc-pVTZ.dat => furan_EOM-MP2_aug-cc-pVTZ.dat} (91%)
 delete mode 100644 static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{glyoxal_CCSD(2)_aug-cc-pVTZ.dat => glyoxal_EOM-MP2_aug-cc-pVTZ.dat} (94%)
 delete mode 100644 static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat => hydrogen_chloride_EOM-MP2_aug-cc-pVTZ.dat} (86%)
 delete mode 100644 static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat => hydrogen_sulfide_EOM-MP2_aug-cc-pVTZ.dat} (74%)
 delete mode 100644 static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{imidazole_CCSD(2)_aug-cc-pVTZ.dat => imidazole_EOM-MP2_aug-cc-pVTZ.dat} (89%)
 delete mode 100644 static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{isobutene_CCSD(2)_aug-cc-pVTZ.dat => isobutene_EOM-MP2_aug-cc-pVTZ.dat} (90%)
 delete mode 100644 static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{ketene_CCSD(2)_aug-cc-pVTZ.dat => ketene_EOM-MP2_aug-cc-pVTZ.dat} (93%)
 delete mode 100644 static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{methanimine_CCSD(2)_aug-cc-pVTZ.dat => methanimine_EOM-MP2_aug-cc-pVTZ.dat} (96%)
 delete mode 100644 static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat => methylenecyclopropene_EOM-MP2_aug-cc-pVTZ.dat} (93%)
 delete mode 100644 static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat => nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat} (91%)
 delete mode 100644 static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{propynal_CCSD(2)_aug-cc-pVTZ.dat => propynal_EOM-MP2_aug-cc-pVTZ.dat} (97%)
 delete mode 100644 static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{pyrazine_CCSD(2)_aug-cc-pVTZ.dat => pyrazine_EOM-MP2_aug-cc-pVTZ.dat} (94%)
 delete mode 100644 static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{pyridazine_CCSD(2)_aug-cc-pVTZ.dat => pyridazine_EOM-MP2_aug-cc-pVTZ.dat} (98%)
 delete mode 100644 static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{pyridine_CCSD(2)_aug-cc-pVTZ.dat => pyridine_EOM-MP2_aug-cc-pVTZ.dat} (95%)
 delete mode 100644 static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{pyrimidine_CCSD(2)_aug-cc-pVTZ.dat => pyrimidine_EOM-MP2_aug-cc-pVTZ.dat} (98%)
 delete mode 100644 static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{pyrrole_CCSD(2)_aug-cc-pVTZ.dat => pyrrole_EOM-MP2_aug-cc-pVTZ.dat} (91%)
 delete mode 100644 static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat
 delete mode 100644 static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat => streptocyanine-c1_EOM-MP2_aug-cc-pVTZ.dat} (96%)
 delete mode 100644 static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{tetrazine_CCSD(2)_aug-cc-pVTZ.dat => tetrazine_EOM-MP2_aug-cc-pVTZ.dat} (98%)
 delete mode 100644 static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{thioacetone_CCSD(2)_aug-cc-pVTZ.dat => thioacetone_EOM-MP2_aug-cc-pVTZ.dat} (89%)
 delete mode 100644 static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat => thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat} (97%)
 delete mode 100644 static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{thiophene_CCSD(2)_aug-cc-pVTZ.dat => thiophene_EOM-MP2_aug-cc-pVTZ.dat} (90%)
 delete mode 100644 static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{thiopropynal_CCSD(2)_aug-cc-pVTZ.dat => thiopropynal_EOM-MP2_aug-cc-pVTZ.dat} (96%)
 delete mode 100644 static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{triazine_CCSD(2)_aug-cc-pVTZ.dat => triazine_EOM-MP2_aug-cc-pVTZ.dat} (98%)
 delete mode 100644 static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/abs/{water_CCSD(2)_aug-cc-pVTZ.dat => water_EOM-MP2_aug-cc-pVTZ.dat} (88%)
 delete mode 100644 static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/fluo/{acetylene_CCSD(2)_aug-cc-pVTZ.dat => acetylene_EOM-MP2_aug-cc-pVTZ.dat} (96%)
 delete mode 100644 static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/fluo/{cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat => cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat} (95%)
 delete mode 100644 static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/fluo/{cyanogen_CCSD(2)_aug-cc-pVTZ.dat => cyanogen_EOM-MP2_aug-cc-pVTZ.dat} (95%)
 delete mode 100644 static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/fluo/{diazomethane_CCSD(2)_aug-cc-pVTZ.dat => diazomethane_EOM-MP2_aug-cc-pVTZ.dat} (95%)
 delete mode 100644 static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/fluo/{formaldehyde_CCSD(2)_aug-cc-pVTZ.dat => formaldehyde_EOM-MP2_aug-cc-pVTZ.dat} (95%)
 delete mode 100644 static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/fluo/{ketene_CCSD(2)_aug-cc-pVTZ.dat => ketene_EOM-MP2_aug-cc-pVTZ.dat} (95%)
 delete mode 100644 static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/fluo/{nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat => nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat} (95%)
 delete mode 100644 static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
 rename static/data/fluo/{thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat => thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat} (95%)

diff --git a/docs/examples/other/xls-addon.tex b/docs/examples/other/xls-addon.tex
index c0042b30..866bae2e 100644
--- a/docs/examples/other/xls-addon.tex
+++ b/docs/examples/other/xls-addon.tex
@@ -69,383 +69,383 @@
 \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 & 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 \\
-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 \\
+ & Molecule & Size & Group & State & S/T & V/R & Type & $\%T_1$ [CC3] & $f$ [CC3] & TBE & Method & Safe ? &  & CIS(D) & CC2 & EOM-MP2 & STEOM-CCSD & CCSD & CCSDR(3) & CCSDT-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 &  & 7.70 & 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 &  & 7.08 &  &  & 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 & 0.168 & 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 & 0.106 & 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 & spi & 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 & spi & 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 &  & 5.63 & 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 & 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  \\
+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 & npi & 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 & 5.81 & 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 & 3.94 & 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 & 3.37 &  &  & 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
deleted file mode 100644
index 9b2e587e..00000000
--- a/static/data/abs/acetaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Acetaldehyde
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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)    4.32          _              _            false
diff --git a/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_EOM-MP2_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/acetaldehyde_EOM-MP2_aug-cc-pVTZ.dat
index f6af01e9..ae90fc0e 100644
--- a/static/data/abs/acetaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Acetaldehyde
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 3eae190c..00000000
--- a/static/data/abs/acetone_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,15 +0,0 @@
-# Molecule : Acetone
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    4.49          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 85%
rename from static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/acetone_EOM-MP2_aug-cc-pVTZ.dat
index 13381748..5f79672d 100644
--- a/static/data/abs/acetone_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Acetone
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -10,8 +10,8 @@
 # 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        2       1     A_2          (\mathrm{R};n \rightarrow 3p)           7.60          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3p)           7.65          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \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
index 17263cfa..dcf0d149 100644
--- a/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SCS-CC2_aug-cc-pVTZ.dat
@@ -10,8 +10,8 @@
 # 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        2       1     A_2          (\mathrm{R};n \rightarrow 3p)           7.29          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3p)           7.33          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \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
index 170daabc..44ee589e 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
@@ -10,8 +10,8 @@
 # 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        2       1     A_2          (\mathrm{R};n \rightarrow 3p)           7.27          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3p)           7.32          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \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
index dca510de..a06adc78 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
@@ -10,8 +10,8 @@
 # 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        2       1     A_2          (\mathrm{R};n \rightarrow 3p)           7.47          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3p)           7.52          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \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
index 92fa32bf..eb084c18 100644
--- a/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SOS-CC2_aug-cc-pVTZ.dat
@@ -10,8 +10,8 @@
 # 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        2       1     A_2          (\mathrm{R};n \rightarrow 3p)           7.51          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3p)           7.56          _              _            false
+  1       1     A_1        2       1     B_2          (\mathrm{R};n \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
deleted file mode 100644
index 93b2e14c..00000000
--- a/static/data/abs/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Acetylene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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)  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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/acetylene_EOM-MP2_aug-cc-pVTZ.dat
index 6a593e1d..fd219da0 100644
--- a/static/data/abs/acetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Acetylene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 4e6400ea..00000000
--- a/static/data/abs/acrolein_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,14 +0,0 @@
-# Molecule : Acrolein
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    3.78          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/acrolein_EOM-MP2_aug-cc-pVTZ.dat
index 1099ca25..63e865b2 100644
--- a/static/data/abs/acrolein_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Acrolein
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 8acbaf02..00000000
--- a/static/data/abs/ammonia_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,14 +0,0 @@
-# Molecule : Ammonia
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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};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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 87%
rename from static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/ammonia_EOM-MP2_aug-cc-pVTZ.dat
index 49ec866a..5ece7ffe 100644
--- a/static/data/abs/ammonia_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Ammonia
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     E            (\mathrm{R};n \rightarrow 3p)           8.14          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \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
index f2c84cfd..a421355b 100644
--- a/static/data/abs/ammonia_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_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     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        1       1     E            (\mathrm{R};n \rightarrow 3p)           7.98          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \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
index 97bb9546..133a1d59 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
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     E            (\mathrm{R};n \rightarrow 3p)           7.93          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \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
index 5757bf1a..d8a95f4a 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
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     E            (\mathrm{R};n \rightarrow 3p)           8.07          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \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
index 8a2974e8..b349472a 100644
--- a/static/data/abs/ammonia_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_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     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        1       1     E            (\mathrm{R};n \rightarrow 3p)           8.05          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \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_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index d224aac3..00000000
--- a/static/data/abs/benzene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,15 +0,0 @@
-# Molecule : Benzene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)  5.11          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/benzene_EOM-MP2_aug-cc-pVTZ.dat
index 713826ea..7e7d8961 100644
--- a/static/data/abs/benzene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Benzene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -10,7 +10,7 @@
 # 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     E_{1g}       (\mathrm{R};\pi \rightarrow 3s)         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
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 6f3304ef..845809b3 100644
--- a/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SCS-CC2_aug-cc-pVTZ.dat
@@ -10,7 +10,7 @@
 # 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     E_{1g}       (\mathrm{R};\pi \rightarrow 3s)         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
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 ab978c37..603742e4 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
@@ -10,7 +10,7 @@
 # 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     E_{1g}       (\mathrm{R};\pi \rightarrow 3s)         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
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 c7cbde03..50e8d27c 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
@@ -10,7 +10,7 @@
 # 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     E_{1g}       (\mathrm{R};\pi \rightarrow 3s)         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
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 0cf81d3d..310fc1c8 100644
--- a/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SOS-CC2_aug-cc-pVTZ.dat
@@ -10,7 +10,7 @@
 # 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     E_{1g}       (\mathrm{R};\pi \rightarrow 3s)         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
diff --git a/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 1eee3132..00000000
--- a/static/data/abs/butadiene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,15 +0,0 @@
-# Molecule : Butadiene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)  6.24          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 91%
rename from static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/butadiene_EOM-MP2_aug-cc-pVTZ.dat
index 03fed1f3..b297398f 100644
--- a/static/data/abs/butadiene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Butadiene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -9,11 +9,11 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     B_g          (\mathrm{R};\pi \rightarrow 3s)         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
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3s)         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
index 321e0382..e51776fa 100644
--- a/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SCS-CC2_aug-cc-pVTZ.dat
@@ -9,11 +9,11 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     B_g          (\mathrm{R};\pi \rightarrow 3s)         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
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3s)         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
index e2fd4d2f..48b8ef30 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
@@ -9,11 +9,11 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     B_g          (\mathrm{R};\pi \rightarrow 3s)         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
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3s)         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
index fed71bc2..f9cae4b1 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
@@ -9,11 +9,11 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     B_g          (\mathrm{R};\pi \rightarrow 3s)         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
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3s)         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
index e2b36be0..34828760 100644
--- a/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SOS-CC2_aug-cc-pVTZ.dat
@@ -9,11 +9,11 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     B_g          (\mathrm{R};\pi \rightarrow 3s)         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
+  1       1     A_g        1       3     B_g          (\mathrm{R};\pi \rightarrow 3s)         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
deleted file mode 100644
index 571fb3b2..00000000
--- a/static/data/abs/carbon_monoxide_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Carbon monoxide
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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     \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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 86%
rename from static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_monoxide_EOM-MP2_aug-cc-pVTZ.dat
index 8d2e5bb3..ec1d4214 100644
--- a/static/data/abs/carbon_monoxide_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbon_monoxide_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Carbon monoxide
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
@@ -11,11 +11,11 @@
   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^+   2       1     \Sigma^+     (\mathrm{R})                            11.29         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.80         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            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
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            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
index 7c37c4a6..852f73b8 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
@@ -11,11 +11,11 @@
   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^+   2       1     \Sigma^+     (\mathrm{R})                            11.25         _              _            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^+   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
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            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
index 7374566b..73b14e97 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
@@ -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)  9.84          _              _            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^+   2       1     \Sigma^+     (\mathrm{R})                            11.39         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.93         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            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
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            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
index d81881c8..8bdb0538 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
@@ -11,11 +11,11 @@
   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^+   2       1     \Sigma^+     (\mathrm{R})                            11.52         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            12.04         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            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
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            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
index ed59c960..ed7b1607 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
@@ -11,11 +11,11 @@
   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^+   2       1     \Sigma^+     (\mathrm{R})                            11.32         _              _            false
+  1       1     \Sigma^+   3       1     \Sigma^+     (\mathrm{R})                            11.81         _              _            false
+  1       1     \Sigma^+   2       1     \Pi          (\mathrm{R})                            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
+  1       1     \Sigma^+   2       3     \Sigma^+     (\mathrm{R})                            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
deleted file mode 100644
index b9980291..00000000
--- a/static/data/abs/carbonylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Carbonylfluoride
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (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
deleted file mode 100644
index 464e7880..00000000
--- a/static/data/abs/carbonylfluoride_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Carbonylfluoride
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (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/ccl2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 4e064b0d..00000000
--- a/static/data/abs/ccl2_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : \ce{CCl2}
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    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};\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
deleted file mode 100644
index 898c29bd..00000000
--- a/static/data/abs/ccl2_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,14 +0,0 @@
-# Molecule : \ce{CCl2}
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    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};\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};\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_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
index 3d6aad4a..605b2367 100644
--- a/static/data/abs/ccl2_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SCS-CC2_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};\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       1     A_2          (\mathrm{V})                            4.50          _              _            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
+  1       1     A_1        1       3     A_2          (\mathrm{V})                            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
index cc5a2340..581de172 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
@@ -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};\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       1     A_2          (\mathrm{V})                            4.29          _              _            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
+  1       1     A_1        1       3     A_2          (\mathrm{V})                            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 287ed89f..f226ae04 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
@@ -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};\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       1     A_2          (\mathrm{V})                            4.50          _              _            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
+  1       1     A_1        1       3     A_2          (\mathrm{V})                            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
index ea499da9..935ca881 100644
--- a/static/data/abs/ccl2_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-CC2_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};\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       1     A_2          (\mathrm{V})                            4.61          _              _            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
+  1       1     A_1        1       3     A_2          (\mathrm{V})                            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
deleted file mode 100644
index 5059b6a3..00000000
--- a/static/data/abs/cclf_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{CClF}
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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
deleted file mode 100644
index a9f84170..00000000
--- a/static/data/abs/cclf_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{CClF}
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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 ca7d66da..39aa647e 100644
--- a/static/data/abs/cclf_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_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)         3.61          _              _            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)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index a36ceb92..2984d334 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
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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
+  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 cf000b4a..7d3c58e3 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} (\mathrm{V};\pi \rightarrow 3p)         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_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat
index a306bc0d..cb69b4c9 100644
--- a/static/data/abs/cclf_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_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)         3.63          _              _            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/cf2_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 1769e1d2..00000000
--- a/static/data/abs/cf2_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{CF2}
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    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};\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
deleted file mode 100644
index 73f9482d..00000000
--- a/static/data/abs/cf2_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : \ce{CF2}
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    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};\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/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index b1817d7d..00000000
--- a/static/data/abs/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Cyanoacetylene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)  5.81          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat
index 4335886d..c054bb46 100644
--- a/static/data/abs/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyanoacetylene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index d9607142..00000000
--- a/static/data/abs/cyanoformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Cyanoformaldehyde
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    3.86          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/cyanoformaldehyde_EOM-MP2_aug-cc-pVTZ.dat
index 54107db5..910e38dd 100644
--- a/static/data/abs/cyanoformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyanoformaldehyde
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 3cc89a4a..00000000
--- a/static/data/abs/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Cyanogen
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)  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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/cyanogen_EOM-MP2_aug-cc-pVTZ.dat
index af4e678c..bd3ec4ab 100644
--- a/static/data/abs/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyanogen
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index be0f0a20..00000000
--- a/static/data/abs/cyclopentadiene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Cyclopentadiene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)  5.56          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 91%
rename from static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/cyclopentadiene_EOM-MP2_aug-cc-pVTZ.dat
index 1157f6ea..07f5ce8d 100644
--- a/static/data/abs/cyclopentadiene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyclopentadiene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -9,12 +9,12 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 6941a21f..341b3ff1 100644
--- a/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SCS-CC2_aug-cc-pVTZ.dat
@@ -9,12 +9,12 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 61378d24..a893422a 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
@@ -9,12 +9,12 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 0ca7da36..a125b422 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
@@ -9,12 +9,12 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 64800cc3..e89a8447 100644
--- a/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SOS-CC2_aug-cc-pVTZ.dat
@@ -9,12 +9,12 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
deleted file mode 100644
index 06604400..00000000
--- a/static/data/abs/cyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Cyclopropene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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};\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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 90%
rename from static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/cyclopropene_EOM-MP2_aug-cc-pVTZ.dat
index 4bae52a8..259ab230 100644
--- a/static/data/abs/cyclopropene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,14 +1,14 @@
 # Molecule : Cyclopropene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # 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};\sigma \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};\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 7768d2f9..45342835 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};\sigma \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};\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 691a9f54..4cbd5479 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};\sigma \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};\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 9feb43f1..3e592110 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};\sigma \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};\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 27f76881..ce2fdca2 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};\sigma \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};\sigma \rightarrow \pi^\star) 6.69          _              _            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
deleted file mode 100644
index 0cb15821..00000000
--- a/static/data/abs/cyclopropenethione_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Cyclopropenethione
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    3.56          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/cyclopropenethione_EOM-MP2_aug-cc-pVTZ.dat
index 78c3d59b..4e5ed9cb 100644
--- a/static/data/abs/cyclopropenethione_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyclopropenethione
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -13,7 +13,7 @@
   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        3       1     B_2          (\mathrm{R};n \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
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 7a6b1eaa..c6b02e58 100644
--- a/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SCS-CC2_aug-cc-pVTZ.dat
@@ -13,7 +13,7 @@
   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        3       1     B_2          (\mathrm{R};n \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
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 f5a453d6..58a4ba7d 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
@@ -13,7 +13,7 @@
   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        3       1     B_2          (\mathrm{R};n \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
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 ba968b3a..c96be78f 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
@@ -13,7 +13,7 @@
   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        3       1     B_2          (\mathrm{R};n \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
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 6e02f559..e433e159 100644
--- a/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SOS-CC2_aug-cc-pVTZ.dat
@@ -13,7 +13,7 @@
   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        3       1     B_2          (\mathrm{R};n \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
diff --git a/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 662f8250..00000000
--- a/static/data/abs/cyclopropenone_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,15 +0,0 @@
-# Molecule : Cyclopropenone
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    4.31          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 92%
rename from static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/cyclopropenone_EOM-MP2_aug-cc-pVTZ.dat
index 4a98876b..6290c185 100644
--- a/static/data/abs/cyclopropenone_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyclopropenone
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -12,8 +12,8 @@
   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     B_2          (\mathrm{R};n \rightarrow 3p)           7.15          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \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
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 417dc6e4..15ab28ab 100644
--- a/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SCS-CC2_aug-cc-pVTZ.dat
@@ -12,8 +12,8 @@
   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     B_2          (\mathrm{R};n \rightarrow 3p)           6.87          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \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
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 8da3bf82..2e5d0112 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
@@ -12,8 +12,8 @@
   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     B_2          (\mathrm{R};n \rightarrow 3p)           6.80          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \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
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 8131bab2..a2dee984 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
@@ -12,8 +12,8 @@
   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     B_2          (\mathrm{R};n \rightarrow 3p)           6.99          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \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
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 236aff43..caed8068 100644
--- a/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SOS-CC2_aug-cc-pVTZ.dat
@@ -12,8 +12,8 @@
   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     B_2          (\mathrm{R};n \rightarrow 3p)           7.04          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \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
diff --git a/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 47537264..00000000
--- a/static/data/abs/diacetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Diacetylene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)  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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/diacetylene_EOM-MP2_aug-cc-pVTZ.dat
index d72a302a..da501e7c 100644
--- a/static/data/abs/diacetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Diacetylene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index e2ac278f..00000000
--- a/static/data/abs/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Diazomethane
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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};\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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 89%
rename from static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/diazomethane_EOM-MP2_aug-cc-pVTZ.dat
index 0552bd20..9d19eae5 100644
--- a/static/data/abs/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Diazomethane
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
@@ -9,9 +9,9 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     B_1          (\mathrm{R};\pi \rightarrow 3s)         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        1       3     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
index c0fe39f3..1f91b33f 100644
--- a/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -9,9 +9,9 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     B_1          (\mathrm{R};\pi \rightarrow 3s)         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        1       3     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
index 64b20856..9c112b2d 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
@@ -9,9 +9,9 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     B_1          (\mathrm{R};\pi \rightarrow 3s)         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        1       3     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
index 89178acd..01613215 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
@@ -9,9 +9,9 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     B_1          (\mathrm{R};\pi \rightarrow 3s)         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        1       3     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
index 1c8052e5..aeb0f78e 100644
--- a/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -9,9 +9,9 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     B_1          (\mathrm{R};\pi \rightarrow 3s)         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        1       3     B_1          (\mathrm{R};\pi \rightarrow 3s)         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/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 79dec20e..00000000
--- a/static/data/abs/difluorodiazirine_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Difluorodiazirine
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    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
-  1       1     A_1        1       1     B_2          (\mathrm{V};\pi \rightarrow \pi^\star)  8.55          _              _            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
deleted file mode 100644
index 2de656b2..00000000
--- a/static/data/abs/difluorodiazirine_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Difluorodiazirine
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    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
-  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/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index d31ef54c..00000000
--- a/static/data/abs/dinitrogen_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Dinitrogen
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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     \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})                            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 89%
rename from static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/dinitrogen_EOM-MP2_aug-cc-pVTZ.dat
index 7fd960ab..bae027cb 100644
--- a/static/data/abs/dinitrogen_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,19 +1,19 @@
 # Molecule : Dinitrogen
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # 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     \Pi_g        (\mathrm{V};\pi \rightarrow \pi^\star)  9.59          _              _            false
+  1       1     \Sigma_g   1       1     \Pi_g        (\mathrm{V};n \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     \Sigma_g^+   (\mathrm{R})                            13.38         _              _            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   1       1     \Sigma_u^+   (\mathrm{R})                            13.49         _              _            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
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 20913aeb..b6c6e4cd 100644
--- a/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SCS-CC2_aug-cc-pVTZ.dat
@@ -8,12 +8,12 @@
 # Initial state            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     \Pi_g        (\mathrm{V};n \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     \Sigma_g^+   (\mathrm{R})                            13.06         _              _            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   1       1     \Sigma_u^+   (\mathrm{R})                            13.12         _              _            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
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 ba8446bf..fbf67ea5 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
@@ -8,12 +8,12 @@
 # Initial state            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     \Pi_g        (\mathrm{V};n \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     \Sigma_g^+   (\mathrm{R})                            13.15         _              _            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   1       1     \Sigma_u^+   (\mathrm{R})                            13.25         _              _            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
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 93414be8..31e93a76 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
@@ -8,12 +8,12 @@
 # Initial state            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     \Pi_g        (\mathrm{V};n \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     \Sigma_g^+   (\mathrm{R})                            13.33         _              _            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   1       1     \Sigma_u^+   (\mathrm{R})                            13.41         _              _            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
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 0e1c562f..91ed3387 100644
--- a/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-CC2_aug-cc-pVTZ.dat
@@ -8,12 +8,12 @@
 # Initial state            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     \Pi_g        (\mathrm{V};n \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     \Sigma_g^+   (\mathrm{R})                            13.16         _              _            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   1       1     \Sigma_u^+   (\mathrm{R})                            13.23         _              _            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
diff --git a/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index f4ea750e..00000000
--- a/static/data/abs/ethylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Ethylene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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{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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 88%
rename from static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/ethylene_EOM-MP2_aug-cc-pVTZ.dat
index 99e910be..a348ae5f 100644
--- a/static/data/abs/ethylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,16 +1,16 @@
 # Molecule : Ethylene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # 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{R};\pi \rightarrow 3p)         7.39          _              _            false
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3s)         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_{3u}       (\mathrm{R};\pi \rightarrow 3s)         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
index 6230a83f..d6179330 100644
--- a/static/data/abs/ethylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SCS-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_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3s)         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_{3u}       (\mathrm{R};\pi \rightarrow 3s)         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
index dc4b9024..189bb6b4 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
@@ -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_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.39          _              _            false
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3s)         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_{3u}       (\mathrm{R};\pi \rightarrow 3s)         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
index 9115afd4..04110d65 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
@@ -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_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.48          _              _            false
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3s)         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_{3u}       (\mathrm{R};\pi \rightarrow 3s)         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
index 15fc82c4..e6da612c 100644
--- a/static/data/abs/ethylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SOS-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_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3p)         7.44          _              _            false
+  1       1     A_g        1       1     B_{3u}       (\mathrm{R};\pi \rightarrow 3s)         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_{3u}       (\mathrm{R};\pi \rightarrow 3s)         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
deleted file mode 100644
index 6d89e66a..00000000
--- a/static/data/abs/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,17 +0,0 @@
-# Molecule : Formaldehyde
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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)    3.98          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 80%
rename from static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/formaldehyde_EOM-MP2_aug-cc-pVTZ.dat
index 3c6ab6c3..bd98e7b4 100644
--- a/static/data/abs/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Formaldehyde
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
@@ -10,14 +10,14 @@
 # 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        2       1     B_2          (\mathrm{R};n \rightarrow 3p)           8.11          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3p)           8.19          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3p)           8.63          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V})                            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
+  1       1     A_1        2       3     B_2          (\mathrm{R};n \rightarrow 3p)           7.92          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};n \rightarrow 3p)           8.06          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R})                            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
index 33c377c0..3300f8f4 100644
--- a/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SCS-CC2_aug-cc-pVTZ.dat
@@ -10,14 +10,14 @@
 # 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        2       1     B_2          (\mathrm{R};n \rightarrow 3p)           7.88          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3p)           7.88          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3p)           8.37          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V})                            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
+  1       1     A_1        2       3     B_2          (\mathrm{R};n \rightarrow 3p)           7.77          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};n \rightarrow 3p)           7.81          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R})                            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
index 1bc569af..15fb032a 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
@@ -10,14 +10,14 @@
 # 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        2       1     B_2          (\mathrm{R};n \rightarrow 3p)           7.83          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3p)           7.83          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3p)           8.30          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V})                            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
+  1       1     A_1        2       3     B_2          (\mathrm{R};n \rightarrow 3p)           7.73          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};n \rightarrow 3p)           7.78          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R})                            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
index ff652ee5..af76b52c 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
@@ -10,14 +10,14 @@
 # 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        2       1     B_2          (\mathrm{R};n \rightarrow 3p)           8.01          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3p)           8.01          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3p)           8.48          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V})                            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
+  1       1     A_1        2       3     B_2          (\mathrm{R};n \rightarrow 3p)           7.90          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};n \rightarrow 3p)           7.96          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R})                            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
index 5c4e07a0..98dfe9e1 100644
--- a/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SOS-CC2_aug-cc-pVTZ.dat
@@ -10,14 +10,14 @@
 # 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        2       1     B_2          (\mathrm{R};n \rightarrow 3p)           8.04          _              _            false
+  1       1     A_1        2       1     A_1          (\mathrm{R};n \rightarrow 3p)           8.06          _              _            false
+  1       1     A_1        2       1     A_2          (\mathrm{R};n \rightarrow 3p)           8.53          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{V})                            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
+  1       1     A_1        2       3     B_2          (\mathrm{R};n \rightarrow 3p)           7.93          _              _            false
+  1       1     A_1        2       3     A_1          (\mathrm{R};n \rightarrow 3p)           8.00          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R})                            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
deleted file mode 100644
index a8ec36d5..00000000
--- a/static/data/abs/formamide_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Formamide
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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)    5.67          _              _            false
diff --git a/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/formamide_EOM-MP2_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/formamide_EOM-MP2_aug-cc-pVTZ.dat
index b0ddc0f4..e6eb1100 100644
--- a/static/data/abs/formamide_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Formamide
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 35dcc1b7..00000000
--- a/static/data/abs/formylfluoride_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Formylfluoride
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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
deleted file mode 100644
index 25a3d194..00000000
--- a/static/data/abs/formylfluoride_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Formylfluoride
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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 a9968683..2b65f0ad 100644
--- a/static/data/abs/formylfluoride_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SCS-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)    6.17          _              _            false
-  1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.80          _              _            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 e253b5a5..fb95194b 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
@@ -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)    5.78          _              _            false
-  1       1     A^\prime   1       3     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)    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 bdc3d370..7716921c 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
@@ -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)    5.99          _              _            false
-  1       1     A^\prime   1       3     A{\prime\prime} (\mathrm{V};n \rightarrow \pi^\star)    5.67          _              _            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/furan_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index e51dc939..00000000
--- a/static/data/abs/furan_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,15 +0,0 @@
-# Molecule : Furan
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)         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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 91%
rename from static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/furan_EOM-MP2_aug-cc-pVTZ.dat
index 65bcb1b2..26e56ec1 100644
--- a/static/data/abs/furan_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,14 +1,14 @@
 # Molecule : Furan
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # 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)         6.33          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
@@ -16,5 +16,5 @@
   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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 39740f16..d6276804 100644
--- a/static/data/abs/furan_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_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     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.17          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
@@ -16,5 +16,5 @@
   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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index cd64aed5..3f67ee28 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
@@ -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     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.18          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
@@ -16,5 +16,5 @@
   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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index e1be52a3..4c960ef2 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
@@ -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     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.28          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
@@ -16,5 +16,5 @@
   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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 3184a81b..e9c65e4c 100644
--- a/static/data/abs/furan_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_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     A_2          (\mathrm{R};\pi \rightarrow 3p)         6.22          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
@@ -16,5 +16,5 @@
   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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 55ab83a3..00000000
--- a/static/data/abs/glyoxal_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,15 +0,0 @@
-# Molecule : Glyoxal
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    2.91          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/glyoxal_EOM-MP2_aug-cc-pVTZ.dat
index c3abc57a..0d97703d 100644
--- a/static/data/abs/glyoxal_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Glyoxal
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -11,7 +11,7 @@
   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       1     B_u          (\mathrm{R};n \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
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 6e2916e0..ab1272b7 100644
--- a/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SCS-CC2_aug-cc-pVTZ.dat
@@ -11,7 +11,7 @@
   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       1     B_u          (\mathrm{R};n \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
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 fe014e13..7ca8b3d1 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
@@ -11,7 +11,7 @@
   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       1     B_u          (\mathrm{R};n \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
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 226508a2..79283618 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
@@ -11,7 +11,7 @@
   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       1     B_u          (\mathrm{R};n \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
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 3535e7d2..32981f26 100644
--- a/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SOS-CC2_aug-cc-pVTZ.dat
@@ -11,7 +11,7 @@
   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       1     B_u          (\mathrm{R};n \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
diff --git a/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 3e01abeb..00000000
--- a/static/data/abs/hccl_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{HCCl}
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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
deleted file mode 100644
index 36af6f4c..00000000
--- a/static/data/abs/hccl_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{HCCl}
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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 10ee5955..bf44c123 100644
--- a/static/data/abs/hccl_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_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)         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)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index b4b411f5..0e8af554 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
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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
+  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 f3a7457e..3f3d6c1a 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} (\mathrm{V};\pi \rightarrow 3p)         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_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat
index 04115e80..3130dc99 100644
--- a/static/data/abs/hccl_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_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)         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/hcf_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 8ec85d9a..00000000
--- a/static/data/abs/hcf_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{HCF}
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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
deleted file mode 100644
index 2779399c..00000000
--- a/static/data/abs/hcf_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{HCF}
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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 4cd2ea69..b8e2dbc7 100644
--- a/static/data/abs/hcf_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_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)         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)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
index 0e6d43f8..bdae8029 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
@@ -8,4 +8,4 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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
+  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 8c418623..0c1a8c43 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} (\mathrm{V};\pi \rightarrow 3p)         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_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat
index 28e7d8be..adb92c3d 100644
--- a/static/data/abs/hcf_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_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)         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/hcp_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 78f3e58b..00000000
--- a/static/data/abs/hcp_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : \ce{HCP}
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            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
deleted file mode 100644
index 07cfcf49..00000000
--- a/static/data/abs/hcp_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,14 +0,0 @@
-# Molecule : \ce{HCP}
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            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
-  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/hpo_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index d6a0c7cf..00000000
--- a/static/data/abs/hpo_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{HPO}
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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
deleted file mode 100644
index 8b177df6..00000000
--- a/static/data/abs/hpo_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{HPO}
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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/hps_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index a94554fd..00000000
--- a/static/data/abs/hps_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{HPS}
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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
deleted file mode 100644
index efe869f3..00000000
--- a/static/data/abs/hps_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{HPS}
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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/hsif_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 85608f22..00000000
--- a/static/data/abs/hsif_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{HSiF}
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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};\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
deleted file mode 100644
index fc19b3cd..00000000
--- a/static/data/abs/hsif_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{HSiF}
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator 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};\sigma \rightarrow \pi^\star) 2.78          _              _            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
deleted file mode 100644
index 499fc069..00000000
--- a/static/data/abs/hydrogen_chloride_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Hydrogen chloride
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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     \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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 86%
rename from static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/hydrogen_chloride_EOM-MP2_aug-cc-pVTZ.dat
index da8d10cd..e065306b 100644
--- a/static/data/abs/hydrogen_chloride_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_chloride_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,11 +1,11 @@
 # Molecule : Hydrogen chloride
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # 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     \Pi          (\mathrm{CT};\pi \rightarrow 3p)        7.73          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           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 24e64968..5621274e 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
@@ -8,4 +8,4 @@
 # Initial state            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
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           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 a478abd0..9622b097 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
@@ -8,4 +8,4 @@
 # Initial state            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
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           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 070e646d..063aa364 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
@@ -8,4 +8,4 @@
 # Initial state            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
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           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 751a591f..d43f4dd2 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
@@ -8,4 +8,4 @@
 # Initial state            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
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           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
deleted file mode 100644
index fde8ac79..00000000
--- a/static/data/abs/hydrogen_sulfide_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Hydrogen sulfide
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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)         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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 74%
rename from static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/hydrogen_sulfide_EOM-MP2_aug-cc-pVTZ.dat
index af43387c..da470c4b 100644
--- a/static/data/abs/hydrogen_sulfide_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/hydrogen_sulfide_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,14 +1,14 @@
 # Molecule : Hydrogen sulfide
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
 # 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)         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
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3p)           6.00          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3p)           6.14          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};n \rightarrow 3p)           5.61          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};n \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
index 22c3c42b..805b2bac 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
@@ -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     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
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3p)           6.31          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3p)           6.35          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};n \rightarrow 3p)           5.92          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};n \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
index 1e81cb85..4d644d5f 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
@@ -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     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
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3p)           6.20          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3p)           6.30          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};n \rightarrow 3p)           5.85          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};n \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
index 3b92174f..6f817afc 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
@@ -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     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
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3p)           6.30          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3p)           6.39          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};n \rightarrow 3p)           5.93          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};n \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
index 85a82946..7cbfeac7 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
@@ -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     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
+  1       1     A_1        1       1     A_2          (\mathrm{R};n \rightarrow 3p)           6.28          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};n \rightarrow 3p)           6.37          _              _            false
+  1       1     A_1        1       3     A_2          (\mathrm{R};n \rightarrow 3p)           5.93          _              _            false
+  1       1     A_1        1       3     B_1          (\mathrm{R};n \rightarrow 3p)           6.03          _              _            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
deleted file mode 100644
index a3be33bc..00000000
--- a/static/data/abs/imidazole_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,14 +0,0 @@
-# Molecule : Imidazole
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)         5.72          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 89%
rename from static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/imidazole_EOM-MP2_aug-cc-pVTZ.dat
index f9646144..934d8163 100644
--- a/static/data/abs/imidazole_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,17 +1,17 @@
 # Molecule : Imidazole
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # 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)         6.00          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3s)         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   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3s)         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
index 1dd875a1..e33b6d3b 100644
--- a/static/data/abs/imidazole_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SCS-CC2_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     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.83          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3s)         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   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3s)         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
index 794f0999..95c33267 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
@@ -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     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.84          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3s)         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   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3s)         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
index 2fddf10b..b3c4bbf8 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
@@ -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     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.95          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3s)         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   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3s)         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
index 9d19942e..77e0ceb4 100644
--- a/static/data/abs/imidazole_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SOS-CC2_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     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3p)         5.90          _              _            false
+  1       1     A^\prime   1       1     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3s)         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   1       3     A^{\prime\prime} (\mathrm{R};\pi \rightarrow 3s)         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_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index d0a0c15c..00000000
--- a/static/data/abs/isobutene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Isobutene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)         6.47          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 90%
rename from static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/isobutene_EOM-MP2_aug-cc-pVTZ.dat
index 57f97e51..1761eb0f 100644
--- a/static/data/abs/isobutene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,13 +1,13 @@
 # Molecule : Isobutene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # 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)         6.56          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
index db574de5..0416ae9b 100644
--- a/static/data/abs/isobutene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SCS-CC2_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{R};\pi \rightarrow 3p)         6.58          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
index 1737f4c9..56bb5de2 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
@@ -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{R};\pi \rightarrow 3p)         6.62          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
index 17cf215c..9f77eca3 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
@@ -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{R};\pi \rightarrow 3p)         6.73          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
index 1e85b61a..bd168d9e 100644
--- a/static/data/abs/isobutene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SOS-CC2_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{R};\pi \rightarrow 3p)         6.69          _              _            false
+  1       1     A_1        1       1     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
deleted file mode 100644
index 574d8479..00000000
--- a/static/data/abs/ketene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Ketene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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};\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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/ketene_EOM-MP2_aug-cc-pVTZ.dat
index f3844194..3e43d625 100644
--- a/static/data/abs/ketene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Ketene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
@@ -13,5 +13,5 @@
   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        1       3     B_1          (\mathrm{R};n \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
index c73f926b..014a46a0 100644
--- a/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SCS-CC2_aug-cc-pVTZ.dat
@@ -13,5 +13,5 @@
   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        1       3     B_1          (\mathrm{R};n \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
index c61d170f..89bbcb29 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
@@ -13,5 +13,5 @@
   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        1       3     B_1          (\mathrm{R};n \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
index 5d30b53b..29160174 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
@@ -13,5 +13,5 @@
   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        1       3     B_1          (\mathrm{R};n \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
index 4cc574a9..4c469bc4 100644
--- a/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SOS-CC2_aug-cc-pVTZ.dat
@@ -13,5 +13,5 @@
   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        1       3     B_1          (\mathrm{R};n \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
deleted file mode 100644
index a4625824..00000000
--- a/static/data/abs/methanimine_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Methanimine
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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)    5.22          _              _            false
diff --git a/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/methanimine_EOM-MP2_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/methanimine_EOM-MP2_aug-cc-pVTZ.dat
index e5624af3..b9997f5c 100644
--- a/static/data/abs/methanimine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Methanimine
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index fe4afaf1..00000000
--- a/static/data/abs/methylenecyclopropene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,14 +0,0 @@
-# Molecule : Methylenecyclopropene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)  4.38          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/methylenecyclopropene_EOM-MP2_aug-cc-pVTZ.dat
index c1924a5f..62a66407 100644
--- a/static/data/abs/methylenecyclopropene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Methylenecyclopropene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
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 ab28181d..21c98566 100644
--- a/static/data/abs/methylenecyclopropene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_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_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     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
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 89aaeb96..f6c1ebe9 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
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
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 0a0b968e..858f528c 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
@@ -9,7 +9,7 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
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 4d0a0448..78dfbaa2 100644
--- a/static/data/abs/methylenecyclopropene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_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_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     B_1          (\mathrm{R};\pi \rightarrow 3s)         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
diff --git a/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 5a38e655..00000000
--- a/static/data/abs/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Nitrosomethane
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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)    1.96          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 91%
rename from static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat
index 38fcc566..b4ab80e4 100644
--- a/static/data/abs/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Nitrosomethane
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
@@ -9,6 +9,6 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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   3       1     A^\prime     (\mathrm{R})                            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
index eaafec07..204d8682 100644
--- a/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SCS-CC2_aug-cc-pVTZ.dat
@@ -9,6 +9,6 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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   3       1     A^\prime     (\mathrm{R})                            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
index 1d14061e..b3c4bb7f 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
@@ -9,6 +9,6 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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   3       1     A^\prime     (\mathrm{R})                            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
index 71253c27..4782c333 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
@@ -9,6 +9,6 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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   3       1     A^\prime     (\mathrm{R})                            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
index 022babb4..ba7d4233 100644
--- a/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SOS-CC2_aug-cc-pVTZ.dat
@@ -9,6 +9,6 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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   3       1     A^\prime     (\mathrm{R})                            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_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 4c6bc299..00000000
--- a/static/data/abs/propynal_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Propynal
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    3.85          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/propynal_EOM-MP2_aug-cc-pVTZ.dat
index de71047b..33cee389 100644
--- a/static/data/abs/propynal_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Propynal
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 664cb58a..00000000
--- a/static/data/abs/pyrazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,21 +0,0 @@
-# Molecule : Pyrazine
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    4.20          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/pyrazine_EOM-MP2_aug-cc-pVTZ.dat
index c76feba8..1978882d 100644
--- a/static/data/abs/pyrazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Pyrazine
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -15,8 +15,8 @@
   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        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3s)         7.50          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};n \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
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 e77165b2..3d7a19d6 100644
--- a/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SCS-CC2_aug-cc-pVTZ.dat
@@ -15,8 +15,8 @@
   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        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3s)         7.25          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};n \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
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 d44a5c65..3980fe3e 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
@@ -15,8 +15,8 @@
   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        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3s)         7.22          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};n \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
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 402f47eb..6586e15c 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
@@ -15,8 +15,8 @@
   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        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3s)         7.33          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};n \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
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 46862623..d435a957 100644
--- a/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SOS-CC2_aug-cc-pVTZ.dat
@@ -15,8 +15,8 @@
   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        2       1     B_{1g}       (\mathrm{R};\pi \rightarrow 3s)         7.27          _              _            false
+  1       1     A_g        2       1     B_{2u}       (\mathrm{R};n \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
diff --git a/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 72829f0d..00000000
--- a/static/data/abs/pyridazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,17 +0,0 @@
-# Molecule : Pyridazine
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    3.89          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/pyridazine_EOM-MP2_aug-cc-pVTZ.dat
index a1d73175..1c452b80 100644
--- a/static/data/abs/pyridazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Pyridazine
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 63a34f72..00000000
--- a/static/data/abs/pyridine_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,18 +0,0 @@
-# Molecule : Pyridine
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/pyridine_EOM-MP2_aug-cc-pVTZ.dat
index 3a42bbf7..dba46a6a 100644
--- a/static/data/abs/pyridine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Pyridine
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -13,7 +13,7 @@
   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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
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 a4e7fcbd..f751edc0 100644
--- a/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SCS-CC2_aug-cc-pVTZ.dat
@@ -13,7 +13,7 @@
   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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
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 3c648310..ef227975 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
@@ -13,7 +13,7 @@
   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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
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 0b1bd25d..53496b7c 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
@@ -13,7 +13,7 @@
   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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
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 a678132b..5154367e 100644
--- a/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SOS-CC2_aug-cc-pVTZ.dat
@@ -13,7 +13,7 @@
   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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
diff --git a/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 339914bd..00000000
--- a/static/data/abs/pyrimidine_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,17 +0,0 @@
-# Molecule : Pyrimidine
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    4.51          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/pyrimidine_EOM-MP2_aug-cc-pVTZ.dat
index d8dda341..f993a6e1 100644
--- a/static/data/abs/pyrimidine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Pyrimidine
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 05828b04..00000000
--- a/static/data/abs/pyrrole_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Pyrrole
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)         5.26          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 91%
rename from static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/pyrrole_EOM-MP2_aug-cc-pVTZ.dat
index a3e2fafb..93c97bd3 100644
--- a/static/data/abs/pyrrole_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,20 +1,20 @@
 # Molecule : Pyrrole
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # 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)         5.54          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_2          (\mathrm{R};\pi \rightarrow 3s)         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
index c465d672..b194287b 100644
--- a/static/data/abs/pyrrole_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SCS-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     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.36          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_2          (\mathrm{R};\pi \rightarrow 3s)         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
index cdf414b4..b00d3358 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
@@ -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     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.37          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 47fd666c..33fb337e 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
@@ -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     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.49          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_2          (\mathrm{R};\pi \rightarrow 3s)         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
index baf70fcc..2c091fc0 100644
--- a/static/data/abs/pyrrole_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SOS-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     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3p)         5.43          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_2          (\mathrm{R};\pi \rightarrow 3s)         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
deleted file mode 100644
index 7c6d0eab..00000000
--- a/static/data/abs/sicl2_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : \ce{SiCl2}
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    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};\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
deleted file mode 100644
index fcf33494..00000000
--- a/static/data/abs/sicl2_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : \ce{SiCl2}
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (eV)   %T1    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};\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/silylidene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index d6e56900..00000000
--- a/static/data/abs/silylidene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Silylidene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (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
deleted file mode 100644
index fd6964aa..00000000
--- a/static/data/abs/silylidene_CCSD(2)_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Silylidene
-# Comment  : 
-# code     : 
-# method   : CCSD(2),aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#4,1
-
-# Initial state            Final state                        Transition                    Energies (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 3fce8ec1..16590fcf 100644
--- a/static/data/abs/silylidene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_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     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
+  1       1     A_1        1       1     A_2          (\mathrm{R})                            2.35          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R})                            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 bf53f740..56a32707 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
@@ -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          (\mathrm{R};\pi \rightarrow 3p)         2.24          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.87          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R})                            2.24          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R})                            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 dbc528f7..75ba711f 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          (\mathrm{R};\pi \rightarrow 3p)         2.35          _              _            false
-  1       1     A_1        1       1     B_2          (\mathrm{R};\pi \rightarrow 3p)         3.98          _              _            false
+  1       1     A_1        1       1     A_2          (\mathrm{R})                            2.35          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R})                            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 dc34c60a..158a71b5 100644
--- a/static/data/abs/silylidene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_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     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
+  1       1     A_1        1       1     A_2          (\mathrm{R})                            2.35          _              _            false
+  1       1     A_1        1       1     B_2          (\mathrm{R})                            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
deleted file mode 100644
index cb0e1d49..00000000
--- a/static/data/abs/streptocyanine-c1_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Streptocyanine-C1
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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)  7.16          _              _            false
diff --git a/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_EOM-MP2_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/streptocyanine-c1_EOM-MP2_aug-cc-pVTZ.dat
index 4e9d6397..1e61d8ef 100644
--- a/static/data/abs/streptocyanine-c1_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Streptocyanine-C1
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 524d6a30..00000000
--- a/static/data/abs/tetrazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,18 +0,0 @@
-# Molecule : Tetrazine
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    2.52          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/tetrazine_EOM-MP2_aug-cc-pVTZ.dat
index ec301088..4e771dbe 100644
--- a/static/data/abs/tetrazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Tetrazine
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 9addaf27..00000000
--- a/static/data/abs/thioacetone_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,15 +0,0 @@
-# Molecule : Thioacetone
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    2.57          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 89%
rename from static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/thioacetone_EOM-MP2_aug-cc-pVTZ.dat
index 1f0e55db..64127b6b 100644
--- a/static/data/abs/thioacetone_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thioacetone
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -11,7 +11,7 @@
   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        2       1     B_2          (\mathrm{R};n \rightarrow 3p)           6.48          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \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
index 5e980c75..c74541fb 100644
--- a/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SCS-CC2_aug-cc-pVTZ.dat
@@ -11,7 +11,7 @@
   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        2       1     B_2          (\mathrm{R};n \rightarrow 3p)           6.61          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \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
index f2523fa2..f985cf3c 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
@@ -11,7 +11,7 @@
   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        2       1     B_2          (\mathrm{R};n \rightarrow 3p)           6.56          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \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
index 17970818..243dee83 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
@@ -11,7 +11,7 @@
   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        2       1     B_2          (\mathrm{R};n \rightarrow 3p)           6.66          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \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
index 64c8d2ee..032f2f25 100644
--- a/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SOS-CC2_aug-cc-pVTZ.dat
@@ -11,7 +11,7 @@
   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        2       1     B_2          (\mathrm{R};n \rightarrow 3p)           6.69          _              _            false
+  1       1     A_1        3       1     A_1          (\mathrm{R};n \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
deleted file mode 100644
index 48e0b205..00000000
--- a/static/data/abs/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Thioformaldehyde
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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)    2.24          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat
index bc547bf1..48e0215f 100644
--- a/static/data/abs/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thioformaldehyde
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index b0e3481a..00000000
--- a/static/data/abs/thiophene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,18 +0,0 @@
-# Molecule : Thiophene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)  5.69          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 90%
rename from static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/thiophene_EOM-MP2_aug-cc-pVTZ.dat
index d566335c..a971b867 100644
--- a/static/data/abs/thiophene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thiophene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
@@ -10,13 +10,13 @@
 # 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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_1          (\mathrm{R};\pi \rightarrow 3s)         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
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 6cd47bd6..5017774d 100644
--- a/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SCS-CC2_aug-cc-pVTZ.dat
@@ -10,13 +10,13 @@
 # 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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_1          (\mathrm{R};\pi \rightarrow 3s)         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
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 25e2e1d8..4935f8df 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
@@ -10,13 +10,13 @@
 # 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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_1          (\mathrm{R};\pi \rightarrow 3s)         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
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 9fa1a1b1..c0cab10d 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
@@ -10,13 +10,13 @@
 # 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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_1          (\mathrm{R};\pi \rightarrow 3s)         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
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3s)         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
index 4ea64ffd..33172f18 100644
--- a/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SOS-CC2_aug-cc-pVTZ.dat
@@ -10,13 +10,13 @@
 # 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     A_2          (\mathrm{R};\pi \rightarrow 3s)         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_1          (\mathrm{R};\pi \rightarrow 3s)         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
+  1       1     A_1        1       3     A_2          (\mathrm{R};\pi \rightarrow 3s)         6.23          _              _            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
deleted file mode 100644
index adc7568c..00000000
--- a/static/data/abs/thiopropynal_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Thiopropynal
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    2.08          _              _            false
diff --git a/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_EOM-MP2_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/thiopropynal_EOM-MP2_aug-cc-pVTZ.dat
index 1de38113..0dbf1111 100644
--- a/static/data/abs/thiopropynal_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thiopropynal
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 623f1d3f..00000000
--- a/static/data/abs/triazine_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,16 +0,0 @@
-# Molecule : Triazine
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)    4.80          _              _            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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/triazine_EOM-MP2_aug-cc-pVTZ.dat
index 8ed6a882..687743a5 100644
--- a/static/data/abs/triazine_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Triazine
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index edd21230..00000000
--- a/static/data/abs/water_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,13 +0,0 @@
-# Molecule : Water
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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};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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 88%
rename from static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/abs/water_EOM-MP2_aug-cc-pVTZ.dat
index d0a02f2d..9f8a6e5d 100644
--- a/static/data/abs/water_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Water
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
@@ -9,8 +9,8 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     A_2          (\mathrm{R};n \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_2          (\mathrm{R};n \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
index bdab72de..1fe70829 100644
--- a/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SCS-CC2_aug-cc-pVTZ.dat
@@ -9,8 +9,8 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     A_2          (\mathrm{R};n \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_2          (\mathrm{R};n \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
index 67b42667..b7b887d5 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
@@ -9,8 +9,8 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     A_2          (\mathrm{R};n \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_2          (\mathrm{R};n \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
index 32c87fa5..7bbafd1c 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
@@ -9,8 +9,8 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     A_2          (\mathrm{R};n \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_2          (\mathrm{R};n \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
index 5b6901c8..da3e0a88 100644
--- a/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SOS-CC2_aug-cc-pVTZ.dat
@@ -9,8 +9,8 @@
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # 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        1       1     A_2          (\mathrm{R};n \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_2          (\mathrm{R};n \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
deleted file mode 100644
index 0ca54299..00000000
--- a/static/data/fluo/acetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,12 +0,0 @@
-# Molecule : Acetylene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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   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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/fluo/acetylene_EOM-MP2_aug-cc-pVTZ.dat
index 0afee951..906edccc 100644
--- a/static/data/fluo/acetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Acetylene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index c51d71d0..00000000
--- a/static/data/fluo/cyanoacetylene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Cyanoacetylene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)  3.54          _              _            false
diff --git a/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/fluo/cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat
index 913f592f..a78d0e91 100644
--- a/static/data/fluo/cyanoacetylene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyanoacetylene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 75d932d9..00000000
--- a/static/data/fluo/cyanogen_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Cyanogen
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# 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)  5.06          _              _            false
diff --git a/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_EOM-MP2_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/fluo/cyanogen_EOM-MP2_aug-cc-pVTZ.dat
index ca0eb994..91f4fe11 100644
--- a/static/data/fluo/cyanogen_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyanogen
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 96f9ea3e..00000000
--- a/static/data/fluo/diazomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Diazomethane
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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     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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/fluo/diazomethane_EOM-MP2_aug-cc-pVTZ.dat
index 389cbbdc..a8c4270d 100644
--- a/static/data/fluo/diazomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Diazomethane
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 59a25efe..00000000
--- a/static/data/fluo/formaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Formaldehyde
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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     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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/fluo/formaldehyde_EOM-MP2_aug-cc-pVTZ.dat
index 4a5732f6..75e61fd5 100644
--- a/static/data/fluo/formaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Formaldehyde
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 10957f00..00000000
--- a/static/data/fluo/ketene_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Ketene
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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     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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/fluo/ketene_EOM-MP2_aug-cc-pVTZ.dat
index 896720e1..070822ed 100644
--- a/static/data/fluo/ketene_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Ketene
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index 5f30df92..00000000
--- a/static/data/fluo/nitrosomethane_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Nitrosomethane
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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     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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/fluo/nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat
index 5090b0ab..17cefa13 100644
--- a/static/data/fluo/nitrosomethane_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Nitrosomethane
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
deleted file mode 100644
index b34b9a3c..00000000
--- a/static/data/fluo/thioformaldehyde_CCCSDT-3_aug-cc-pVTZ.dat
+++ /dev/null
@@ -1,11 +0,0 @@
-# Molecule : Thioformaldehyde
-# Comment  : 
-# code     : 
-# method   : CCCSDT-3,aug-cc-pVTZ
-# geom     : CC3,aug-cc-pVTZ
-# set      : QUEST#1,2
-
-# 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     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_EOM-MP2_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
rename to static/data/fluo/thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat
index fc183959..6caaa166 100644
--- a/static/data/fluo/thioformaldehyde_CCSD(2)_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_EOM-MP2_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thioformaldehyde
 # Comment  : 
 # code     : 
-# method   : CCSD(2),aug-cc-pVTZ
+# method   : EOM-MP2,aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2