mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-11-05 05:33:55 +01:00
13 lines
862 B
Plaintext
13 lines
862 B
Plaintext
|
# Molecule : \ce{BeH}
|
||
|
|
# Comment :
|
||
|
|
# code :
|
||
|
|
# method : U-CC3,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 \Pi _ 2.50 _ _ false
|
||
|
|
1 1 A_1 2 2 \Pi _ 6.46 _ _ false
|