mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-11-05 13:43:56 +01:00
17 lines
1.4 KiB
Plaintext
17 lines
1.4 KiB
Plaintext
# Molecule : Ketene
|
|
# Comment :
|
|
# code :
|
|
# method : Theo.,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_2 (\pi \rightarrow \pi^\star) 3.74 _ _ false
|
|
1 1 A_1 1 1 B_1 (n \rightarrow 3s) 5.82 _ _ false
|
|
1 1 A_1 1 1 A_2 (\pi \rightarrow 3p) 7.0 _ _ false
|
|
1 1 A_1 1 3 A_2 (n \rightarrow \pi^\star) 3.62 _ _ false
|
|
1 1 A_1 1 3 A_1 (\pi \rightarrow \pi^\star) 5.42 _ _ false
|
|
1 1 A_1 1 3 B_1 (n \rightarrow 3s) 5.69 _ _ false
|