# Molecule : Diazomethane # Comment : # code : MRCC # method : exFCI,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 3.14 1 1 A_1 1 1 B_1 5.54 1 1 A_1 2 1 A_1 5.9 1 1 A_1 1 3 A_2 2.8 1 1 A_1 1 3 A_1 4.05 1 1 A_1 1 3 B_1 5.35 1 1 A_1 2 3 A_1 6.82 1 1 A_1 1 1 A'' 0.71