mirror of
https://github.com/LCPQ/QUESTDB_website.git
synced 2024-11-05 05:33:55 +01:00
13 lines
468 B
Plaintext
13 lines
468 B
Plaintext
# Molecule : Diazomethane
|
|
# Comment :
|
|
# code : experimental
|
|
# method : experimental
|
|
# geom : experimental
|
|
# DOI : 10.1021/acs.jctc.8b00406
|
|
|
|
# Initial state Final state Energies (eV)
|
|
####################### ####################### ###############
|
|
# Number Spin Symm Number Spin Symm E_abs
|
|
1 1 A_1 1 1 A_2 3.14
|
|
1 1 A_1 2 1 A_1 5.9
|