&GATEWAY COOR = F2_eq.xyz BASI = jun-cc-pVTZ GROU = C1 RICD &SEWARD Grid Input Grid = Ultrafine End of Grid Input &RASSCF INAC = 4 RAS2 = 6 NACT = 10 0 0 CIRO = 1 1 1 SPIN = 1 CHAR = 0 >>> COPY /path_to_param_file/MC23_params.txt MC23_params.txt &MCPDFT KSDF = T:M06L EXPM = MC23_params.txt LAMB = 0.2952