# Molecule : Nitrosomethane # 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'' 1.83