mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-07-04 02:16:11 +02:00
13 lines
862 B
Plaintext
13 lines
862 B
Plaintext
# Molecule : \ce{OH}
|
|
# Comment :
|
|
# code :
|
|
# method : U-CCSD,aug-cc-pVTZ
|
|
# geom :
|
|
# DOI : 10.1007/s10686-008-9119-4,true
|
|
|
|
# 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 1 A_1 1 2 \Sigma^+ _ 4.14 _ _ false
|
|
1 1 A_1 1 2 \Sigma^- _ 7.75 _ _ false
|