10
0
mirror of https://github.com/LCPQ/QUESTDB_website.git synced 2024-07-22 18:57:38 +02:00
QUESTDB_website/static/data/abs/silylidene_TBE(Full)_CBS.dat

13 lines
857 B
Plaintext
Raw Permalink Normal View History

2020-04-30 15:20:39 +02:00
# Molecule : Silylidene
# Comment :
# code :
2020-09-09 13:31:44 +02:00
# method : TBE(Full),CBS
2020-08-31 09:47:12 +02:00
# geom : CC3,aug-cc-pVTZ
2020-09-20 17:53:58 +02:00
# set : QUEST#4,0
2020-04-30 15:20:39 +02:00
2020-10-08 18:36:03 +02:00
# Initial state Final state Transition Energies (eV) %T1 Oscillator strength unsafe
####################### ####################### ######################################## ############# ####### ##################### #############
2020-04-30 15:20:39 +02:00
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
2020-11-09 12:49:21 +01:00
1 1 A_1 1 1 A_2 (\mathrm{R}) 2.12 _ _ false
1 1 A_1 1 1 B_2 (\mathrm{R}) 3.80 _ _ false