mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-10-04 23:36:12 +02:00
13 lines
840 B
Plaintext
13 lines
840 B
Plaintext
# Molecule : Cyanogen
|
|
# Comment :
|
|
# code :
|
|
# method : CCSDTQ,\emph{aug}-cc-pVDZ
|
|
# geom :
|
|
# DOI :
|
|
|
|
# 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 \Sigma_u^- _ 6.51 _ _ false
|
|
1 1 A_1 1 1 \Delta_u _ 6.77 _ _ false
|