mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-11-05 05:33:55 +01:00
12 lines
730 B
Plaintext
12 lines
730 B
Plaintext
# Molecule : \ce{CClF}
|
|
# Comment :
|
|
# code : Q-CHEM
|
|
# method : ADC(3),aug-cc-pVTZ
|
|
# 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^\prime 1 1 A^{\prime\prime}(\mathrm{V};\sigma \rightarrow \pi^\star) 3.35 _ _ false
|