mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-07-04 18:36:14 +02:00
20 lines
1.8 KiB
Plaintext
20 lines
1.8 KiB
Plaintext
# Molecule : Pyridine
|
|
# Comment :
|
|
# code :
|
|
# method : Th.$^b$,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 B_1 (n \rightarrow \pi^\star) 4.90 _ _ false
|
|
1 1 A_1 1 1 B_2 (\pi \rightarrow \pi^\star) 4.82 _ _ false
|
|
1 1 A_1 1 1 A_2 (n \rightarrow \pi^\star) 5.31 _ _ false
|
|
1 1 A_1 1 1 A_1 (\pi \rightarrow \pi^\star) 6.62 _ _ false
|
|
1 1 A_1 1 1 A_1 (n \rightarrow 3s) 6.96 _ _ false
|
|
1 1 A_1 1 1 A_2 (\pi \rightarrow 3s) 6.90 _ _ false
|
|
1 1 A_1 2 1 B_2 (\pi \rightarrow \pi^\star) 7.29 _ _ false
|
|
1 1 A_1 1 1 B_1 (\pi \rightarrow 3p) 7.42 _ _ false
|
|
1 1 A_1 2 1 A_1 (\pi \rightarrow \pi^\star) 7.37 _ _ false
|