mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-08-27 14:41:50 +02:00
12 lines
715 B
Plaintext
12 lines
715 B
Plaintext
# Molecule : Streptocyanine-C5
|
|
# Comment :
|
|
# code :
|
|
# method : STEOM-CCSD,aug-cc-pVTZ
|
|
# geom : CC3/cc-pVTZ
|
|
# 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 3 B_2 (\mathrm{V};\pi \rightarrow \pi^\star) 2.32 _ _ false
|