mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-07-04 02:16:11 +02:00
14 lines
997 B
Plaintext
14 lines
997 B
Plaintext
# Molecule : \ce{CH}
|
|
# Comment :
|
|
# code :
|
|
# method : U-CC3,aug-cc-pVTZ
|
|
# geom : CC3,aug-cc-pVTZ
|
|
# set : QUEST#4,0
|
|
|
|
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
|
####################### ####################### ######################################## ############# ####### ################### ##############
|
|
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
|
|
1 2 \Pi 1 2 \Delta _ 3.11 _ _ false
|
|
1 2 \Pi 1 2 \Sigma^- _ 3.61 _ _ false
|
|
1 2 \Pi 1 2 \Sigma^+ _ 4.45 _ _ false
|