SUMMARY OF PM7 CALCULATION, Site No: 33807 MOPAC2016 (Version: 20.015W) Tue Jan 21 08:35:22 2020 No. of days remaining = 359 Empirical Formula: C6 H8 O = 15 atoms PM7 17 Benzene - water Geometry from: http://www.begdb.com/index.php?action=oneMolecule&state=show&id=97 NO PARAMETERS MARKED FOR OPTIMIZATION, SO 1SCF WAS USED SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -37.45941 KCAL/MOL = -156.73016 KJ/MOL TOTAL ENERGY = -1140.31836 EV ELECTRONIC ENERGY = -4627.09116 EV CORE-CORE REPULSION = 3486.77280 EV DIPOLE = 2.22833 DEBYE POINT GROUP: C1 NO. OF FILLED LEVELS = 19 IONIZATION POTENTIAL = 10.163754 EV HOMO LUMO ENERGIES (EV) = -10.164 -0.121 MOLECULAR WEIGHT = 96.1286 COSMO AREA = 143.16 SQUARE ANGSTROMS COSMO VOLUME = 136.02 CUBIC ANGSTROMS MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 10 H 7 4.95133 H 9 H 14 4.33797 H 12 O 13 4.05066 SCF CALCULATIONS = 1 WALL-CLOCK TIME = 0.031 SECONDS COMPUTATION TIME = 0.078 SECONDS FINAL GEOMETRY OBTAINED PM7 17 Benzene - water Geometry from: http://www.begdb.com/index.php?action=oneMolecule&state=show&id=97 C 0.78061200 +0 -0.60988800 +0 -1.20754300 +0 C 0.47840400 +0 0.75104100 +0 -1.20790400 +0 C 0.32765900 +0 1.43185700 +0 0.00000000 +0 C 0.47840400 +0 0.75104100 +0 1.20790400 +0 C 0.78061200 +0 -0.60988800 +0 1.20754300 +0 C 0.93215100 +0 -1.28996100 +0 0.00000000 +0 H 0.89666900 +0 -1.13760500 +0 -2.14414800 +0 H 0.35739000 +0 1.27820900 +0 -2.14405500 +0 H 0.09185900 +0 2.48714100 +0 0.00000000 +0 H 0.35739000 +0 1.27820900 +0 2.14405500 +0 H 0.89666900 +0 -1.13760500 +0 2.14414800 +0 H 1.16900600 +0 -2.34516700 +0 0.00000000 +0 O -2.78852700 +0 -0.27448500 +0 0.00000000 +0 H -2.62291100 +0 -1.21908300 +0 0.00000000 +0 H -1.90151000 +0 0.09791100 +0 0.00000000 +0