QUESTDB_website/static/data/abs/silylidene_CC3_aug-cc-pV5Z.dat

# Molecule : Silylidene
# Comment  : 
# code     : 
# method   : CC3,aug-cc-pV5Z
# geom     : CC3,aug-cc-pVTZ
# set      : QUEST#4,0

# 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     A_1        1       1     A_2          (\mathrm{R})                            2.16          _              _            false
  1       1     A_1        1       1     B_2          (\mathrm{R})                            3.80          _              _            false
Add QUEST#4 data files 2020-04-30 15:20:39 +02:00			`# Molecule : Silylidene`
			`# Comment :`
			`# code :`
Replace CC3(FC) by CC3 and delete doublons 2020-09-09 11:32:12 +02:00			`# method : CC3,aug-cc-pV5Z`
Add geometrie metadata for QUEST#4 2020-08-31 09:47:12 +02:00			`# geom : CC3,aug-cc-pVTZ`
Change sets handling 2020-09-20 17:53:58 +02:00			`# set : QUEST#4,0`
Add QUEST#4 data files 2020-04-30 15:20:39 +02:00
Fix Oscillator strength typo 2020-10-08 18:36:03 +02:00			`# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe`
			`####################### ####################### ######################################## ############# ####### ##################### #############`
Add QUEST#4 data files 2020-04-30 15:20:39 +02:00			`# 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 A_1 1 1 A_2 (\mathrm{R}) 2.16 _ _ false`
			`1 1 A_1 1 1 B_2 (\mathrm{R}) 3.80 _ _ false`