SUMMARY OF  PM7 CALCULATION

                                                       MOPAC2016 (Version: 22.234L)
                                                       Mon May 11 14:46:14 2026

           Empirical Formula: C2 H4 O4  =    10 atoms

 PM7 PRECISE
 Geometry optimalization for a formic acid dimer molecule



     GEOMETRY OPTIMISED USING EIGENVECTOR FOLLOWING (EF).     
     SCF FIELD WAS ACHIEVED                                   

          HEAT OF FORMATION       =       -196.27072 KCAL/MOL =    -821.19668 KJ/MOL
          GRADIENT NORM           =          1.69858          =       0.53714 PER ATOM
          DIPOLE                  =          0.03869 DEBYE   POINT GROUP:  C2h 
          NO. OF FILLED LEVELS    =         18
          IONIZATION POTENTIAL    =         11.597088 EV
          HOMO LUMO ENERGIES (EV) =        -11.597  0.428
          MOLECULAR WEIGHT        =         92.0512
          COSMO AREA              =        117.38 SQUARE ANGSTROMS
          COSMO VOLUME            =        100.40 CUBIC ANGSTROMS

          MOLECULAR DIMENSIONS (Angstroms)

            Atom       Atom       Distance
            H     8    H     3     6.05968
            H    10    H     5     2.31458
            H     3    O     9     0.01188
          SCF CALCULATIONS        =         77
          WALL-CLOCK TIME         =      0.137 SECONDS
          COMPUTATION TIME        =      0.663 SECONDS


          FINAL GEOMETRY OBTAINED
 PM7 PRECISE
 Geometry optimalization for a formic acid dimer molecule

  C    -0.20052939 +1  -0.24397135 +1  -0.35257015 +1
  O    -1.28124277 +1  -0.75235857 +1  -0.57932142 +1
  H     0.69715937 +1  -0.34444263 +1  -0.96319356 +1
  O     0.02254010 +1   0.51793473 +1   0.70595267 +1
  H    -0.77996747 +1   0.66645438 +1   1.32881590 +1
  C    -3.20638185 +1   0.34175522 +1   2.03842338 +1
  O    -2.12408214 +1   0.84528325 +1   2.26816393 +1
  H    -4.10680279 +1   0.45032550 +1   2.64374393 +1
  O    -3.42583011 +1  -0.43110645 +1   0.98713299 +1
  H    -2.62433550 +1  -0.57651101 +1   0.36214523 +1