QUESTDB_website/static/data/abs/hydrogen_sulfide_exp.dat

# Molecule : Hydrogen sulfide
# Comment  : Absorption energies of the hydrogen sulfide molecule from experimental datas
# 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     B_1         6.24
Add hydrogen sulfide absorption files 2019-09-30 18:26:32 +02:00			`# Molecule : Hydrogen sulfide`
			`# Comment : Absorption energies of the hydrogen sulfide molecule from experimental datas`
			`# code : experimental`
			`# method : experimental`
			`# geom : experimental`
			`# DOI : 10.1021/acs.jctc.8b00406`

			`# Initial state Final state Energies (eV)`
			`####################### ####################### ############`
Fix # Number Spin Symm comment 2019-11-17 17:43:01 +01:00			`# Number Spin Symm Number Spin Symm E_abs`
			`1 1 A_1 1 1 B_1 6.24`