SUMMARY OF  PM7 CALCULATION

                                                       MOPAC2016 (Version: 22.234L)
                                                       Tue May 12 09:34:31 2026

           Empirical Formula: C H2 O2  =     5 atoms

 PM7 1SCF EPS=78.4
 Formic acid monomer - COSMO solvention model calculation



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

          HEAT OF FORMATION       =        -98.16417 KCAL/MOL =    -410.71890 KJ/MOL
          DIELECTRIC ENERGY       =         -0.44122 EV
          DIPOLE                  =          2.06685 DEBYE   POINT GROUP:  Cs  
          NO. OF FILLED LEVELS    =          9
          IONIZATION POTENTIAL    =         11.828483 EV
          HOMO LUMO ENERGIES (EV) =        -11.828  0.654
          MOLECULAR WEIGHT        =         46.0256
          COSMO AREA              =         71.83 SQUARE ANGSTROMS
          COSMO VOLUME            =         52.77 CUBIC ANGSTROMS

          MOLECULAR DIMENSIONS (Angstroms)

            Atom       Atom       Distance
            H     5    H     3     2.86070
            O     4    O     2     2.09007
            H     5    O     2     0.00007
          SCF CALCULATIONS        =          2
          WALL-CLOCK TIME         =      0.027 SECONDS
          COMPUTATION TIME        =      0.007 SECONDS


          FINAL GEOMETRY OBTAINED
 PM7 1SCF EPS=78.4
 Formic acid monomer - COSMO solvention model calculation

  C    -3.18397998 +1   0.32733699 +1   2.00031164 +1
  O    -2.04982492 +1   0.71966012 +1   1.98968508 +1
  H    -3.98554887 +1   0.52617349 +1   2.70838932 +1
  O    -3.65649743 +1  -0.49455400 +1   1.03576131 +1
  H    -2.99983848 +1  -0.73714637 +1   0.33858240 +1