mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-27 06:43:47 +01:00
13 lines
867 B
Plaintext
13 lines
867 B
Plaintext
|
# Molecule : Silylidene
|
||
|
|
# Comment :
|
||
|
|
# code :
|
||
|
|
# method : ADC(2.5),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 1 A_2 _ 2.12 _ _ false
|
||
|
|
1 1 A_1 1 1 B_2 _ 3.64 _ _ false
|