QUESTDB_website/static/data/abs/hydrogen_chloride_EOM-MP2_aug-cc-pVTZ.dat

# Molecule : Hydrogen chloride
# Comment  : 
# code     : 
# method   : EOM-MP2,aug-cc-pVTZ
# geom     : CC3,aug-cc-pVTZ
# set      : QUEST#1,2

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
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# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT};CT)                        7.73          _              _            false
Add new data from XLS file 2020-10-05 17:30:21 +02:00			`# Molecule : Hydrogen chloride`
			`# Comment :`
			`# code :`
Fix data for new methods 2020-11-09 10:53:26 +01:00			`# method : EOM-MP2,aug-cc-pVTZ`
Add missing geometry metadata 2020-10-27 17:26:26 +01:00			`# geom : CC3,aug-cc-pVTZ`
Add new data from XLS file 2020-10-05 17:30:21 +02:00			`# set : QUEST#1,2`

Fix Oscillator strength for QUEST#5 paper addon 2020-10-12 17:22:27 +02:00			`# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe`
			`####################### ####################### ######################################## ############# ####### ##################### #############`
Add new data from XLS file 2020-10-05 17:30:21 +02:00			`# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe`
Update data except QUEST#2 2021-03-29 16:33:35 +02:00			`1 1 \Sigma^+ 1 1 \Pi (\mathrm{CT};CT) 7.73 _ _ false`