mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-11-05 05:33:55 +01:00
12 lines
695 B
Plaintext
12 lines
695 B
Plaintext
# Molecule : Formaldehyde
|
|
# Comment :
|
|
# code :
|
|
# method : CCSDTQ,aug-cc-pVDZ
|
|
# geom :
|
|
# DOI :
|
|
|
|
# Initial state Final state Transition Energies (eV) %T1 Oscilator forces unsafe
|
|
####################### ####################### ######################################## ############# ####### ################### ##############
|
|
# Number Spin Symm Number Spin Symm type E_fluo %T1 f is unsafe
|
|
1 1 A_1 1 1 A'' (n \rightarrow \pi^\star) 2.86 _ _ false
|