mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-08-26 06:01:49 +02:00
14 lines
973 B
Plaintext
14 lines
973 B
Plaintext
|
# Molecule : Pyridazine
|
||
|
# Comment :
|
||
|
# code :
|
||
|
# method : Exp.$^e$,Litt.
|
||
|
# 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 A_1 (\pi \rightarrow \pi^\star) 5.0 _ _ false
|
||
|
1 1 A_1 1 3 B_2 (\pi \rightarrow \pi^\star) 4.0 _ _ false
|
||
|
1 1 A_1 1 3 A_1 (\pi \rightarrow \pi^\star) 4.4 _ _ false
|