mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-08-25 13:41:50 +02:00
15 lines
1.1 KiB
Plaintext
15 lines
1.1 KiB
Plaintext
# Molecule : Hydrogen sulfide
|
|
# Comment :
|
|
# code :
|
|
# method : SOS-ADC(2) [TM],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 A_1 1 1 A_2 (\mathrm{R};n \rightarrow 3p) 6.30 _ _ false
|
|
1 1 A_1 1 1 B_1 (\mathrm{R};n \rightarrow 3p) 6.39 _ _ false
|
|
1 1 A_1 1 3 A_2 (\mathrm{R};n \rightarrow 3p) 5.93 _ _ false
|
|
1 1 A_1 1 3 B_1 (\mathrm{R};n \rightarrow 3p) 6.05 _ _ false
|