# Molecule : Diazomethane # Comment : # code : MRCC # method : CCSDT,aug-cc-pVTZ # geom : CC3,aug-cc-pVTZ # 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 3.07 1 1 A_1 1 1 B_1 5.48 1 1 A_1 2 1 A_1 5.86 1 1 A_1 1 3 A_2 2.82 1 1 A_1 1 3 A_1 4.02 1 1 A_1 1 3 B_1 5.34 1 1 A_1 1 1 A'' 0.67