QUESTDB_website/static/data/fluo/thioformaldehyde_CCSD(T)(a)_aug-cc-pVTZ.dat

# Molecule : Thioformaldehyde
# Comment  : 
# code     : 
# method   : CCSD(T)(a)*,aug-cc-pVTZ
# geom     : CC3,aug-cc-pVTZ
# set      : QUEST#1,2

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
#######################  #######################  ########################################  ############# ####### ##################### #############
# Number  Spin  Symm       Number  Spin  Symm         type                                    E_fluo        %T1            f            is unsafe
  1       1     A_1        2       1     A_2          (\mathrm{V};n \rightarrow \pi^\star)    1.97          _              _            false
Add missing table 2020-01-13 11:41:28 +01:00			`# Molecule : Thioformaldehyde`
			`# Comment :`
Update data except QUEST#2 2021-03-29 16:33:35 +02:00			`# code :`
			`# method : CCSD(T)(a)*,aug-cc-pVTZ`
Add information for missing table 2020-01-13 11:44:20 +01:00			`# geom : CC3,aug-cc-pVTZ`
Update data except QUEST#2 2021-03-29 16:33:35 +02:00			`# set : QUEST#1,2`
Add missing table 2020-01-13 11:41:28 +01:00
Fix Oscillator strength typo 2020-10-08 18:36:03 +02:00			`# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe`
			`####################### ####################### ######################################## ############# ####### ##################### #############`
Add missing table 2020-01-13 11:41:28 +01:00			`# Number Spin Symm Number Spin Symm type E_fluo %T1 f is unsafe`
Update data except QUEST#2 2021-03-29 16:33:35 +02:00			`1 1 A_1 2 1 A_2 (\mathrm{V};n \rightarrow \pi^\star) 1.97 _ _ false`