SUMMARY OF  PM7 CALCULATION

                                                       MOPAC2016 (Version: 22.234L)
                                                       Mon May 11 14:23:29 2026

           Empirical Formula: C H2 O2  =     5 atoms

 PM7 1SCF CHARGE=0
 Formic acid monomer - Single-point SCF calculation



     1SCF WAS SPECIFIED, SO BFGS WAS NOT USED                 
     SCF FIELD WAS ACHIEVED                                   

          HEAT OF FORMATION       =        -89.54484 KCAL/MOL =    -374.65563 KJ/MOL
          DIPOLE                  =          1.39585 DEBYE   POINT GROUP:  Cs  
          NO. OF FILLED LEVELS    =          9
          IONIZATION POTENTIAL    =         11.528632 EV
          HOMO LUMO ENERGIES (EV) =        -11.529  0.606
          MOLECULAR WEIGHT        =         46.0256
          COSMO AREA              =         71.90 SQUARE ANGSTROMS
          COSMO VOLUME            =         52.77 CUBIC ANGSTROMS

          MOLECULAR DIMENSIONS (Angstroms)

            Atom       Atom       Distance
            H     5    H     3     2.86096
            O     2    O     4     2.08987
            O     4    H     3     0.00081
          SCF CALCULATIONS        =          1
          WALL-CLOCK TIME         =      0.023 SECONDS
          COMPUTATION TIME        =      0.006 SECONDS


          FINAL GEOMETRY OBTAINED
 PM7 1SCF CHARGE=0
 Formic acid monomer - Single-point SCF calculation

  C    -3.18378394 +1   0.32708914 +1   2.00001808 +1
  O    -2.04984400 +1   0.72008960 +1   1.99018033 +1
  H    -3.98473708 +1   0.52611751 +1   2.70839860 +1
  O    -3.65665107 +1  -0.49441960 +1   1.03559155 +1
  H    -3.00063888 +1  -0.73848136 +1   0.33828966 +1