From c726155e8101fc167d5f962a39ecbc80b7c0d9ec Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= <mveril@irsamc.ups-tlse.fr>
Date: Wed, 27 Oct 2021 17:04:56 +0200
Subject: [PATCH] Some fixes and update on data

---
 docs/examples/fromXLSToLaTeX2.tex                      |  6 +++---
 ...at => acetaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...VTZ.dat => acetone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...Z.dat => acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...TZ.dat => acrolein_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...VTZ.dat => ammonia_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...=> aza-naphthalene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...VTZ.dat => benzene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...at => benzoquinone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...Z.dat => butadiene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...=> carbon_monoxide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...> carbonylfluoride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...c-pVTZ.dat => ccl2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...c-pVTZ.dat => cclf_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...cc-pVTZ.dat => cf2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... => cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... cyanoformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...TZ.dat => cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...=> cyclopentadiene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...lopentadienethione_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... cyclopentadienone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...at => cyclopropene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...cyclopropenethione_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... => cyclopropenone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 static/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ.dat     |  8 ++++----
 .../data/abs/diacetylene_ADC(2)_aug-cc-pVTZ_addon.dat  |  8 ++++----
 .../abs/diacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat     |  8 ++++----
 .../data/abs/diacetylene_ADC(3)_aug-cc-pVTZ_addon.dat  |  8 ++++----
 static/data/abs/diacetylene_CC2_aug-cc-pVTZ.dat        |  8 ++++----
 static/data/abs/diacetylene_CC2_aug-cc-pVTZ_addon.dat  |  8 ++++----
 static/data/abs/diacetylene_CC3_aug-cc-pVTZ.dat        |  8 ++++----
 static/data/abs/diacetylene_CC3_aug-cc-pVTZ_addon.dat  |  8 ++++----
 static/data/abs/diacetylene_CCSD(T)(a)_aug-cc-pVTZ.dat |  4 ++--
 static/data/abs/diacetylene_CCSDR(3)_aug-cc-pVTZ.dat   |  4 ++--
 static/data/abs/diacetylene_CCSDT-3_aug-cc-pVTZ.dat    |  4 ++--
 static/data/abs/diacetylene_CCSDT_aug-cc-pVTZ.dat      |  6 +++---
 static/data/abs/diacetylene_CCSD_aug-cc-pVTZ.dat       |  8 ++++----
 static/data/abs/diacetylene_CIS(D)_aug-cc-pVTZ.dat     |  8 ++++----
 static/data/abs/diacetylene_EOM-MP2_aug-cc-pVTZ.dat    |  8 ++++----
 static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat    |  8 ++++----
 ...dat => diacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} | 10 +++++-----
 .../abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat    |  8 ++++----
 static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat    |  8 ++++----
 static/data/abs/diacetylene_STEOM-CCSD_aug-cc-pVTZ.dat |  8 ++++----
 static/data/abs/diacetylene_TBE_aug-cc-pVTZ.dat        |  8 ++++----
 ...Z.dat => diazirine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...at => diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... difluorodiazirine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ....dat => dinitrogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...TZ.dat => ethylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...at => formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...Z.dat => formamide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... => formylfluoride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...-pVTZ.dat => furan_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...VTZ.dat => glyoxal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...c-pVTZ.dat => hccl_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...cc-pVTZ.dat => hcf_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...cc-pVTZ.dat => hcp_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ....dat => hexatriene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...cc-pVTZ.dat => hpo_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...cc-pVTZ.dat => hps_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...c-pVTZ.dat => hsif_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... hydrogen_chloride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  4 ++--
 ...> hydrogen_sulfide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...Z.dat => imidazole_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...Z.dat => isobutene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...pVTZ.dat => ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...Z.dat => maleimide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...dat => methanimine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...hylenecyclopropene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...dat => naphthalene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... => nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...TZ.dat => nitroxyl_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...at => octatetraene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...TZ.dat => propynal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...TZ.dat => pyrazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ....dat => pyridazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...TZ.dat => pyridine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ....dat => pyrimidine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...VTZ.dat => pyrrole_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...-pVTZ.dat => sicl2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ....dat => silylidene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ....dat => silylidene_SOS-ADC(2)_[QM]_aug-cc-pVTZ.dat} |  0
 ... streptocyanine-c1_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... streptocyanine-c3_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... streptocyanine-c5_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...Z.dat => tetrazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...dat => thioacetone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...at => thioacrolein_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...> thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...Z.dat => thiophene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...at => thiopropynal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...TZ.dat => triazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...-pVTZ.dat => water_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...Z.dat => acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... => cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...TZ.dat => cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...at => diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...at => formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...pVTZ.dat => ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ... => nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 ...> thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} |  2 +-
 102 files changed, 161 insertions(+), 161 deletions(-)
 rename static/data/abs/{acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => acetaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => acetone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => acrolein_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => ammonia_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{aza-naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => aza-naphthalene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (98%)
 rename static/data/abs/{benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => benzene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{benzoquinone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => benzoquinone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (98%)
 rename static/data/abs/{butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => butadiene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => carbon_monoxide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => carbonylfluoride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => ccl2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cclf_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/abs/{cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cf2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyanoformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (95%)
 rename static/data/abs/{cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyclopentadiene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{cyclopentadienethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyclopentadienethione_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{cyclopentadienone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyclopentadienone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyclopropene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyclopropenethione_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyclopropenone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => diacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (74%)
 rename static/data/abs/{diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => diazirine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => difluorodiazirine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => dinitrogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => ethylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (98%)
 rename static/data/abs/{formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => formamide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (95%)
 rename static/data/abs/{formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => formylfluoride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => furan_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => glyoxal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => hccl_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/abs/{hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => hcf_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/abs/{hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => hcp_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{hexatriene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => hexatriene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => hpo_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/abs/{hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => hps_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/abs/{hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => hsif_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/abs/{hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => hydrogen_chloride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (85%)
 rename static/data/abs/{hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => hydrogen_sulfide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => imidazole_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => isobutene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (95%)
 rename static/data/abs/{ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{maleimide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => maleimide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => methanimine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => methylenecyclopropene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => naphthalene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (98%)
 rename static/data/abs/{nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{nitroxyl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => nitroxyl_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{octatetraene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => octatetraene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => propynal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => pyrazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (98%)
 rename static/data/abs/{pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => pyridazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => pyridine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (98%)
 rename static/data/abs/{pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => pyrimidine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => pyrrole_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => sicl2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => silylidene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat => silylidene_SOS-ADC(2)_[QM]_aug-cc-pVTZ.dat} (100%)
 rename static/data/abs/{streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => streptocyanine-c1_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{streptocyanine-c3_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => streptocyanine-c3_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{streptocyanine-c5_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => streptocyanine-c5_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => tetrazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (98%)
 rename static/data/abs/{thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => thioacetone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (97%)
 rename static/data/abs/{thioacrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => thioacrolein_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/abs/{thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => thiophene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (98%)
 rename static/data/abs/{thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => thiopropynal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/abs/{triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => triazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (98%)
 rename static/data/abs/{water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => water_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (96%)
 rename static/data/fluo/{acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (94%)
 rename static/data/fluo/{cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/fluo/{cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/fluo/{diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/fluo/{formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/fluo/{ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/fluo/{nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)
 rename static/data/fluo/{thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat => thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat} (93%)

diff --git a/docs/examples/fromXLSToLaTeX2.tex b/docs/examples/fromXLSToLaTeX2.tex
index e16ffdca..5e4923f5 100644
--- a/docs/examples/fromXLSToLaTeX2.tex
+++ b/docs/examples/fromXLSToLaTeX2.tex
@@ -21,10 +21,10 @@
   \initialState[Acrolein]{^1A^\prime}
   \initialState[Benzene]{^1A_{1g}}
   \initialState[Butadiene]{^1A_g}
-  \initialState[Cyanoacetylene]{^1\Sigma^+}}
+  \initialState[Cyanoacetylene]{^1\Sigma^+}
   \initialState[Cyanoformaldehyde]{^1A^\prime}
   \initialState[Cyanogen]{^1\Sigma_g^+}
-  \initialState[Diacetylene]{^1A^\prime}
+  \initialState[Diacetylene]{^1\Sigma_g}
   \initialState[Glyoxal]{^1A_g}
   \initialState[Imidazole]{^1A^\prime}
   \initialState[Propynal]{^1A^\prime}
@@ -76,7 +76,7 @@
 \end{dfbOptions}
 
 \begin{tabular}
-  & 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 & CCSD(T)(a)* & CCSDR(3) & CCSDT-3 & CC3 & CCSDT & SOS-ADC(2) [TM] & SOS-CC2 & SCS-CC2 & SOS-ADC(2) [Q-Chem] & ADC(2) & ADC(3) & ADC(2.5)  \\
+  & Molecule & Size & Group & State & S/T & V/R & Type & $\%T_1$ [TBE] & $f$ [CC3] & TBE & Method & Safe ? & & CIS(D) & CC2 & EOM-MP2 & STEOM-CCSD & CCSD & CCSD(T)(a) & CCSDR(3) & CCSDT-3 & CC3 & CCSDT & SOS-ADC(2) [TM] & SOS-CC2 & SCS-CC2 & SOS-ADC(2) [QC] & 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 & 4.31 & 4.32 & 4.31 & 4.29 & 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 & 3.94 & 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 & 4.48 & 4.49 & 4.48 & 4.46 & 4.52 & 4.68 & 4.64 & 4.31 & 4.37 & 4.50 & 4.44  \\
diff --git a/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/acetaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 37f254bb..a0752857 100644
--- a/static/data/abs/acetaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Acetaldehyde
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/acetone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 44ee589e..e280a79c 100644
--- a/static/data/abs/acetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Acetone
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 5b340d91..71cb3183 100644
--- a/static/data/abs/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Acetylene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/acrolein_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/acrolein_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 083dc6c3..670ab71b 100644
--- a/static/data/abs/acrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/acrolein_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Acrolein
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ammonia_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/ammonia_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 133a1d59..9fe3228c 100644
--- a/static/data/abs/ammonia_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ammonia_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Ammonia
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/aza-naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/aza-naphthalene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/aza-naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/aza-naphthalene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index dab0f947..c9046c62 100644
--- a/static/data/abs/aza-naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/aza-naphthalene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Aza-naphthalene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3/cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/benzene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/benzene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 603742e4..816ef181 100644
--- a/static/data/abs/benzene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Benzene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/benzoquinone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/benzoquinone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/benzoquinone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/benzoquinone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 002662ea..6e804c74 100644
--- a/static/data/abs/benzoquinone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/benzoquinone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Benzoquinone
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/butadiene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/butadiene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 48b8ef30..2a9cab93 100644
--- a/static/data/abs/butadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/butadiene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Butadiene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
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)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/carbon_monoxide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/carbon_monoxide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 73b14e97..ea6657a6 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)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Carbon monoxide
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/carbonylfluoride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index d8739893..b00e5510 100644
--- a/static/data/abs/carbonylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/carbonylfluoride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Carbonylfluoride
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ccl2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/ccl2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 581de172..68ef1a0b 100644
--- a/static/data/abs/ccl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ccl2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : \ce{CCl2}
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cclf_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cclf_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 2984d334..1047a205 100644
--- a/static/data/abs/cclf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cclf_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : \ce{CClF}
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cf2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cf2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index dce20d1e..a5423918 100644
--- a/static/data/abs/cf2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cf2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : \ce{CF2}
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index f1ee166a..211c5aa3 100644
--- a/static/data/abs/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyanoacetylene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index e2a42182..b6db6ca2 100644
--- a/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanoformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyanoformaldehyde
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 139f939f..d5b0e30c 100644
--- a/static/data/abs/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyanogen
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cyclopentadiene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index a893422a..aca4f3ca 100644
--- a/static/data/abs/cyclopentadiene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadiene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyclopentadiene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/cyclopentadienethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadienethione_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/cyclopentadienethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cyclopentadienethione_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 4cc00d12..cea61856 100644
--- a/static/data/abs/cyclopentadienethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadienethione_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyclopentadienethione
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/cyclopentadienone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopentadienone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/cyclopentadienone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cyclopentadienone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 7eca54ed..8c860984 100644
--- a/static/data/abs/cyclopentadienone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopentadienone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyclopentadienone
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cyclopropene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 4cbd5479..03d92141 100644
--- a/static/data/abs/cyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyclopropene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cyclopropenethione_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 58a4ba7d..a1b43d10 100644
--- a/static/data/abs/cyclopropenethione_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenethione_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyclopropenethione
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/cyclopropenone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/cyclopropenone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 2e5d0112..580b1c13 100644
--- a/static/data/abs/cyclopropenone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/cyclopropenone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyclopropenone
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ.dat
index c2697434..8285c37e 100644
--- a/static/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.49          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.37          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.01          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.49          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.37          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.01          _              _            false
diff --git a/static/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ_addon.dat b/static/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ_addon.dat
index da3267ca..11efdaaf 100644
--- a/static/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/diacetylene_ADC(2)_aug-cc-pVTZ_addon.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^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.49          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.37          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.01          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.49          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.72          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.37          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.01          _              _            false
diff --git a/static/data/abs/diacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat b/static/data/abs/diacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat
index c9bccb33..33b8a979 100644
--- a/static/data/abs/diacetylene_ADC(2.5)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/diacetylene_ADC(2.5)_aug-cc-pVTZ_addon.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^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.47          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.08          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.72          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.47          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.08          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.72          _              _            false
diff --git a/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ_addon.dat b/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ_addon.dat
index 6a39bbe2..1b5c9a79 100644
--- a/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/diacetylene_ADC(3)_aug-cc-pVTZ_addon.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^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.95          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  3.79          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.43          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  4.95          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  3.79          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.43          _              _            false
diff --git a/static/data/abs/diacetylene_CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CC2_aug-cc-pVTZ.dat
index b7ac7887..94479c43 100644
--- a/static/data/abs/diacetylene_CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_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^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.51          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.76          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.03          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.51          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.76          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.03          _              _            false
diff --git a/static/data/abs/diacetylene_CC2_aug-cc-pVTZ_addon.dat b/static/data/abs/diacetylene_CC2_aug-cc-pVTZ_addon.dat
index b05ee972..2ea247b1 100644
--- a/static/data/abs/diacetylene_CC2_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/diacetylene_CC2_aug-cc-pVTZ_addon.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^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.51          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.76          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.03          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.51          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.76          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.39          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.03          _              _            false
diff --git a/static/data/abs/diacetylene_CC3_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CC3_aug-cc-pVTZ.dat
index 99fae658..5d3f6a3e 100644
--- a/static/data/abs/diacetylene_CC3_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CC3_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.34          94.4           _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.61          94.1           _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.08          98.5           _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.80          98.2           _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.34          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.61          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.08          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.80          _              _            false
diff --git a/static/data/abs/diacetylene_CC3_aug-cc-pVTZ_addon.dat b/static/data/abs/diacetylene_CC3_aug-cc-pVTZ_addon.dat
index 5aaa6e87..a11529a1 100644
--- a/static/data/abs/diacetylene_CC3_aug-cc-pVTZ_addon.dat
+++ b/static/data/abs/diacetylene_CC3_aug-cc-pVTZ_addon.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^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.34          94.4           _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.61          94.1           _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.08          98.5           _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.80          98.2           _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.34          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.61          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.08          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.80          _              _            false
diff --git a/static/data/abs/diacetylene_CCSD(T)(a)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCSD(T)(a)_aug-cc-pVTZ.dat
index f930331a..78c8b95d 100644
--- a/static/data/abs/diacetylene_CCSD(T)(a)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCSD(T)(a)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.63          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.63          _              _            false
diff --git a/static/data/abs/diacetylene_CCSDR(3)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCSDR(3)_aug-cc-pVTZ.dat
index 3f0abebf..f161c7cf 100644
--- a/static/data/abs/diacetylene_CCSDR(3)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCSDR(3)_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
diff --git a/static/data/abs/diacetylene_CCSDT-3_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCSDT-3_aug-cc-pVTZ.dat
index 05b553ee..aa774a4e 100644
--- a/static/data/abs/diacetylene_CCSDT-3_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCSDT-3_aug-cc-pVTZ.dat
@@ -8,5 +8,5 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\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
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.35          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.62          _              _            false
diff --git a/static/data/abs/diacetylene_CCSDT_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCSDT_aug-cc-pVTZ.dat
index e87dd401..213de4ee 100644
--- a/static/data/abs/diacetylene_CCSDT_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCSDT_aug-cc-pVTZ.dat
@@ -8,6 +8,6 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\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
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.79          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.35          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.62          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.79          _              _            false
diff --git a/static/data/abs/diacetylene_CCSD_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CCSD_aug-cc-pVTZ.dat
index b6cfb853..ea5e995f 100644
--- a/static/data/abs/diacetylene_CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CCSD_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.41          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.67          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.01          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.82          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.41          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.67          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.01          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.82          _              _            false
diff --git a/static/data/abs/diacetylene_CIS(D)_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_CIS(D)_aug-cc-pVTZ.dat
index 8f7d9d42..a3e1cdbe 100644
--- a/static/data/abs/diacetylene_CIS(D)_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_CIS(D)_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.62          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.86          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.48          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.14          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.62          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.86          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.48          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.14          _              _            false
diff --git a/static/data/abs/diacetylene_EOM-MP2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_EOM-MP2_aug-cc-pVTZ.dat
index da501e7c..3b72caee 100644
--- a/static/data/abs/diacetylene_EOM-MP2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_EOM-MP2_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.50          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.75          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.34          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.99          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.50          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.75          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.34          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.99          _              _            false
diff --git a/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
index 42c5b336..473556ce 100644
--- a/static/data/abs/diacetylene_SCS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_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^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.27          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.18          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.27          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.18          _              _            false
diff --git a/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 74%
rename from static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/diacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index c9093367..c3b45922 100644
--- a/static/data/abs/diacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,14 +1,14 @@
 # Molecule : Diacetylene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],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)  5.53          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.69          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.11          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.10          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.53          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.69          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.11          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.10          _              _            false
diff --git a/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
index f11a0c56..a42a7d31 100644
--- a/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_SOS-ADC(2)_[TM]_aug-cc-pVTZ.dat
@@ -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^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.66          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.20          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.66          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.83          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.20          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.22          _              _            false
diff --git a/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
index 6c78277c..f738f3b1 100644
--- a/static/data/abs/diacetylene_SOS-CC2_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_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^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.70          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.87          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.21          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.25          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.70          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.87          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.21          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.25          _              _            false
diff --git a/static/data/abs/diacetylene_STEOM-CCSD_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
index adfbbdb7..c26d3126 100644
--- a/static/data/abs/diacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_STEOM-CCSD_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.05          _              _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.87          _              _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.37          _              _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.64          _              _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.05          _              _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.87          _              _            false
diff --git a/static/data/abs/diacetylene_TBE_aug-cc-pVTZ.dat b/static/data/abs/diacetylene_TBE_aug-cc-pVTZ.dat
index 90d3cf98..26c121bc 100644
--- a/static/data/abs/diacetylene_TBE_aug-cc-pVTZ.dat
+++ b/static/data/abs/diacetylene_TBE_aug-cc-pVTZ.dat
@@ -8,7 +8,7 @@
 # Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
 #######################  #######################  ########################################  ############# ####### ##################### #############
 # Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
-  1       1     A^\prime   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          94.4           _            false
-  1       1     A^\prime   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.61          94.1           _            false
-  1       1     A^\prime   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.10          98.5           _            false
-  1       1     A^\prime   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.78          98.2           _            false
+  1       1     \Sigma_g   1       1     \Sigma_u^-   (\mathrm{V};\pi \rightarrow \pi^\star)  5.33          94.4           _            false
+  1       1     \Sigma_g   1       1     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  5.61          94.1           _            false
+  1       1     \Sigma_g   1       3     \Sigma_u^+   (\mathrm{V};\pi \rightarrow \pi^\star)  4.10          98.5           _            false
+  1       1     \Sigma_g   1       3     \Delta_u     (\mathrm{V};\pi \rightarrow \pi^\star)  4.78          98.2           _            false
diff --git a/static/data/abs/diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diazirine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/diazirine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index b4feddf8..342101d2 100644
--- a/static/data/abs/diazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazirine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Diazirine
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 9c112b2d..72a07d86 100644
--- a/static/data/abs/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Diazomethane
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/difluorodiazirine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index ef5f7ae5..4709d594 100644
--- a/static/data/abs/difluorodiazirine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/difluorodiazirine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Difluorodiazirine
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/dinitrogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/dinitrogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index fbf67ea5..01d28770 100644
--- a/static/data/abs/dinitrogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/dinitrogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Dinitrogen
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ethylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/ethylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 189bb6b4..0ca19635 100644
--- a/static/data/abs/ethylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ethylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Ethylene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 15fb032a..c99cc353 100644
--- a/static/data/abs/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Formaldehyde
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formamide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/formamide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 7a875a63..4678806e 100644
--- a/static/data/abs/formamide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formamide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Formamide
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/formylfluoride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/formylfluoride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index fb95194b..aef358a9 100644
--- a/static/data/abs/formylfluoride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/formylfluoride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Formylfluoride
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/furan_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/furan_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 3f67ee28..f3091412 100644
--- a/static/data/abs/furan_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/furan_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Furan
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/glyoxal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/glyoxal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 7ca8b3d1..63dcca3a 100644
--- a/static/data/abs/glyoxal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/glyoxal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Glyoxal
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hccl_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/hccl_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 0e8af554..1cc2aa6b 100644
--- a/static/data/abs/hccl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hccl_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : \ce{HCCl}
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hcf_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/hcf_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index bdae8029..db3ffcc7 100644
--- a/static/data/abs/hcf_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcf_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : \ce{HCF}
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hcp_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/hcp_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 92e85485..b6935ee8 100644
--- a/static/data/abs/hcp_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hcp_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : \ce{HCP}
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/hexatriene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hexatriene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/hexatriene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/hexatriene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 2dc11390..21e58bdd 100644
--- a/static/data/abs/hexatriene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hexatriene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Hexatriene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CCSD(T),aug-cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hpo_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/hpo_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 7e2e679b..54388eec 100644
--- a/static/data/abs/hpo_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hpo_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : \ce{HPO}
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hps_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/hps_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 1d6ab9db..4ef1f350 100644
--- a/static/data/abs/hps_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hps_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : \ce{HPS}
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/hsif_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/hsif_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index bd07c53a..f372df9c 100644
--- a/static/data/abs/hsif_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/hsif_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : \ce{HSiF}
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
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)_[QC]_aug-cc-pVTZ.dat
similarity index 85%
rename from static/data/abs/hydrogen_chloride_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/hydrogen_chloride_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index d264e60b..1af5e3e1 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)_[QC]_aug-cc-pVTZ.dat
@@ -1,11 +1,11 @@
 # Molecule : Hydrogen chloride
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],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};CT)                        7.87          _              _            false
+  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.87          _              _            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)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/hydrogen_sulfide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 4d644d5f..a4312a67 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)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Hydrogen sulfide
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/imidazole_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/imidazole_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 95c33267..a9e81145 100644
--- a/static/data/abs/imidazole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/imidazole_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Imidazole
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/isobutene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 95%
rename from static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/isobutene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 56bb5de2..085e2ed7 100644
--- a/static/data/abs/isobutene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/isobutene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Isobutene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 7963ae01..0b9aa2d0 100644
--- a/static/data/abs/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Ketene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/maleimide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/maleimide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/maleimide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/maleimide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 0e27d1f2..87d90532 100644
--- a/static/data/abs/maleimide_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/maleimide_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Maleimide
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/methanimine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/methanimine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 723c7313..05f75e90 100644
--- a/static/data/abs/methanimine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/methanimine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Methanimine
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/methylenecyclopropene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index f6c1ebe9..a16e1a41 100644
--- a/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/methylenecyclopropene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Methylenecyclopropene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/naphthalene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/naphthalene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index f24b1d54..2ce71256 100644
--- a/static/data/abs/naphthalene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/naphthalene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Naphthalene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3/cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index b3c4bb7f..a3430471 100644
--- a/static/data/abs/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Nitrosomethane
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/nitroxyl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/nitroxyl_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/nitroxyl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/nitroxyl_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index de565a20..79392a97 100644
--- a/static/data/abs/nitroxyl_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/nitroxyl_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Nitroxyl
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/octatetraene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/octatetraene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/octatetraene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/octatetraene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 7712c812..95207b9f 100644
--- a/static/data/abs/octatetraene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/octatetraene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Octatetraene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/propynal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/propynal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 92ed36c9..97e1f2a0 100644
--- a/static/data/abs/propynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/propynal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Propynal
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/pyrazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 3980fe3e..f49bc3cd 100644
--- a/static/data/abs/pyrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Pyrazine
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyridazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/pyridazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 89115748..0965f9b7 100644
--- a/static/data/abs/pyridazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Pyridazine
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyridine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/pyridine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index ef227975..9b828787 100644
--- a/static/data/abs/pyridine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyridine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Pyridine
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrimidine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/pyrimidine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index b31aa003..f1c417f7 100644
--- a/static/data/abs/pyrimidine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrimidine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Pyrimidine
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/pyrrole_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/pyrrole_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index b00d3358..0441c153 100644
--- a/static/data/abs/pyrrole_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/pyrrole_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Pyrrole
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/sicl2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/sicl2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 9af0c432..e78f335f 100644
--- a/static/data/abs/sicl2_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/sicl2_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : \ce{SiCl2}
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/silylidene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 56a32707..59935ab8 100644
--- a/static/data/abs/silylidene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/silylidene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Silylidene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#4,1
 
diff --git a/static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat b/static/data/abs/silylidene_SOS-ADC(2)_[QM]_aug-cc-pVTZ.dat
similarity index 100%
rename from static/data/abs/silylidene_SOS-ADC(2) [QM]_aug-cc-pVTZ.dat
rename to static/data/abs/silylidene_SOS-ADC(2)_[QM]_aug-cc-pVTZ.dat
diff --git a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/streptocyanine-c1_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index a5c1b22e..e2b96021 100644
--- a/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c1_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Streptocyanine-C1
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/streptocyanine-c3_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c3_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/streptocyanine-c3_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/streptocyanine-c3_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 29c5b18c..6f0d4c1d 100644
--- a/static/data/abs/streptocyanine-c3_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c3_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Streptocyanine-C3
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/streptocyanine-c5_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/streptocyanine-c5_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/streptocyanine-c5_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/streptocyanine-c5_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index efe1e8f5..f4d399ec 100644
--- a/static/data/abs/streptocyanine-c5_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/streptocyanine-c5_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Streptocyanine-C5
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3/cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/tetrazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/tetrazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 924487db..d92c1aac 100644
--- a/static/data/abs/tetrazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/tetrazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Tetrazine
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thioacetone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 97%
rename from static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/thioacetone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index f985cf3c..00836dea 100644
--- a/static/data/abs/thioacetone_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacetone_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thioacetone
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/thioacrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thioacrolein_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/thioacrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/thioacrolein_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 2dae656f..ef5fde9e 100644
--- a/static/data/abs/thioacrolein_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioacrolein_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thioacrolein
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#5,0
 
diff --git a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 9d0a348f..412d0179 100644
--- a/static/data/abs/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thioformaldehyde
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thiophene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/thiophene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 4935f8df..608fef92 100644
--- a/static/data/abs/thiophene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiophene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thiophene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/thiopropynal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/thiopropynal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 18516603..04c346d3 100644
--- a/static/data/abs/thiopropynal_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/thiopropynal_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thiopropynal
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/triazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 98%
rename from static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/triazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 9a028611..3a309a60 100644
--- a/static/data/abs/triazine_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/triazine_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Triazine
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/abs/water_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 96%
rename from static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/abs/water_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index b7b887d5..6a0874fa 100644
--- a/static/data/abs/water_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/abs/water_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Water
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 94%
rename from static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/fluo/acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index beeb6a09..9775cc20 100644
--- a/static/data/fluo/acetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/acetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Acetylene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/fluo/cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 76bf9d99..07dc6cef 100644
--- a/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanoacetylene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyanoacetylene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/fluo/cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index bb81368e..5f88329c 100644
--- a/static/data/fluo/cyanogen_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/cyanogen_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Cyanogen
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#3,2
 
diff --git a/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/fluo/diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index a6cfd023..1e3fea87 100644
--- a/static/data/fluo/diazomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/diazomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Diazomethane
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/fluo/formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index f63e4b71..b561031b 100644
--- a/static/data/fluo/formaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/formaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Formaldehyde
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/fluo/ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 969cbaeb..ca337333 100644
--- a/static/data/fluo/ketene_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/ketene_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Ketene
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/fluo/nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 2f4ad737..126654fc 100644
--- a/static/data/fluo/nitrosomethane_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/nitrosomethane_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Nitrosomethane
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2
 
diff --git a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
similarity index 93%
rename from static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
rename to static/data/fluo/thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
index 2b82e38a..3a2f5529 100644
--- a/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[Q-Chem]_aug-cc-pVTZ.dat
+++ b/static/data/fluo/thioformaldehyde_SOS-ADC(2)_[QC]_aug-cc-pVTZ.dat
@@ -1,7 +1,7 @@
 # Molecule : Thioformaldehyde
 # Comment  : 
 # code     : 
-# method   : SOS-ADC(2) [Q-Chem],aug-cc-pVTZ
+# method   : SOS-ADC(2) [QC],aug-cc-pVTZ
 # geom     : CC3,aug-cc-pVTZ
 # set      : QUEST#1,2