mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-12-27 06:43:47 +01:00
15 lines
1.1 KiB
Plaintext
15 lines
1.1 KiB
Plaintext
|
# Molecule : Diacetylene
|
||
|
|
# 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 \Sigma_u^- _ 4.81 _ _ false
|
||
|
|
1 1 A_1 1 1 \Delta_u _ 5.06 _ _ false
|
||
|
|
1 1 A_1 1 3 \Sigma_u^+ _ 2.7 _ _ false
|
||
|
|
1 1 A_1 1 3 \Delta_u _ 3.21 _ _ false
|