QUESTDB_website/static/data/abs/hydrogen_chloride_CC3(Full)_d-aug-cc-pV5Z.dat

# Molecule : Hydrogen chloride
# Comment  : 
# code     : Dalton
# method   : CC3(Full),d-aug-cc-pV5Z
# geom     : CC3,aug-cc-pVTZ 
# set      : QUEST#1,0

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscillator strength    unsafe
#######################  #######################  ########################################  ############# ####### ##################### #############
# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
  1       1     \Sigma^+   1       1     \Pi          (\mathrm{CT})                           7.87          _              _            false
Add hydrogen chloride CC3 supporting 2020-01-07 13:49:55 +01:00			`# Molecule : Hydrogen chloride`
			`# Comment :`
Add code for new CC3 files 2020-01-12 17:34:32 +01:00			`# code : Dalton`
Fix Full FC in basis 2020-01-07 14:47:57 +01:00			`# method : CC3(Full),d-aug-cc-pV5Z`
Add geometry for new files 2020-01-10 16:16:39 +01:00			`# geom : CC3,aug-cc-pVTZ`
Change sets handling 2020-09-20 17:53:58 +02:00			`# set : QUEST#1,0`
Add hydrogen chloride CC3 supporting 2020-01-07 13:49:55 +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 hydrogen chloride CC3 supporting 2020-01-07 13:49:55 +01:00			`# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe`
Fix excitation type 2020-11-09 12:49:21 +01:00			`1 1 \Sigma^+ 1 1 \Pi (\mathrm{CT}) 7.87 _ _ false`