mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-27 06:43:47 +01:00
13 lines
862 B
Plaintext
13 lines
862 B
Plaintext
# Molecule : \ce{BeH}
|
|
# Comment :
|
|
# code :
|
|
# method : RO-CCSD,aug-cc-pVTZ
|
|
# geom : CC3,aug-cc-pVTZ
|
|
# set : QUEST#4,0
|
|
|
|
# Initial state Final state Transition Energies (eV) %T1 Oscilator strenght unsafe
|
|
####################### ####################### ######################################## ############# ####### ################### ##############
|
|
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
|
|
1 2 \Sigma^+ 1 2 \Pi _ 2.51 _ _ false
|
|
1 2 \Sigma^+ 2 2 \Pi _ 6.47 _ _ false
|