SUMMARY OF  PM7 CALCULATION, Site No: 23746

                                                       MOPAC2016 (Version: 20.046M)
                                                       Mon Feb 24 18:02:57 2020
                                                       No. of days remaining = 356

           Empirical Formula: Ga32  =    32 atoms

 MERS=(1,2,2) PL GNORM=4               EXTERNAL=~/24threads/PM7.txt
 Gallium (Ga) (ICSD 634202)
 h=0 hr=element


     HERBERTS TEST WAS SATISFIED IN BFGS
     SCF FIELD WAS ACHIEVED

          HEAT OF FORMATION       =        -81.26873 KCAL/MOL =    -340.02838 KJ/MOL
          H.o.F. per unit cell    =         -2.53965 KCAL, for  32 unit cells
          TOTAL ENERGY            =      -1927.24824 EV
          ELECTRONIC ENERGY       =   -3984394.05442 EV
          CORE-CORE REPULSION     =    3982466.80618 EV

          VOLUME OF UNIT CELL     =        187.179 CUBIC ANGSTROMS

          DENSITY                 =          4.949 GRAMS/CC
                              A   =          7.594 ANGSTROMS
                              B   =          4.164 ANGSTROMS
                              C   =          6.049 ANGSTROMS
                            ALPHA =         79.099 DEGREES
                            BETA  =         94.652 DEGREES
                            GAMMA =         90.208 DEGREES


          VOLUME OF CLUSTER       =        748.71688 ANGSTROMS**3 =  450.888 CM**3/MOLE

          GRADIENT NORM           =         28.23626 = 4.99151 PER ATOM
          NO. OF FILLED LEVELS    =         48
          IONIZATION POTENTIAL    =          6.864145 EV
          HOMO LUMO ENERGIES (EV) =         -6.864 -1.093
          MOLECULAR WEIGHT        =       2231.5200
           Pressure required to constrain translation vectors
           Tv(  33)  Pressure:  -1.26 GPa
           Tv(  34)  Pressure:   0.79 GPa
           Tv(  35)  Pressure:  -0.04 GPa
          SCF CALCULATIONS        =         47
          WALL-CLOCK TIME         =  4 MINUTES AND 10.238 SECONDS
          COMPUTATION TIME        =  7 MINUTES AND 14.400 SECONDS


          FINAL GEOMETRY OBTAINED
 MERS=(1,2,2) PL GNORM=4               EXTERNAL=~/24threads/PM7.txt
 Gallium (Ga) (ICSD 634202)
 h=0 hr=element
 Ga    -0.85018812 +1   0.07477162 +1   1.15529395 +1
 Ga    -2.76622851 +1  -3.14027338 +1   0.77662019 +1
 Ga    -0.73779251 +1  -3.14886674 +1   2.18445271 +1
 Ga     1.44237427 +1  -3.44374479 +1   1.08684543 +1
 Ga    -2.96196566 +1  -4.38310416 +1  -1.37292893 +1
 Ga    -0.79164596 +1   0.75972498 +1   3.52281816 +1
 Ga    -5.22090172 +1   0.00178546 +1   1.01415459 +1
 Ga    -2.97950527 +1  -0.72023274 +1   0.21095310 +1
 Ga     1.23150351 +1  -0.86576765 +1  -2.31719867 +1
 Ga    -0.78597090 +1  -4.02995746 +1  -2.51452894 +1
 Ga     1.36373896 +1  -4.09823994 +1  -1.29524656 +1
 Ga     3.55128459 +1  -4.32239310 +1  -2.39144040 +1
 Ga    -0.82932986 +1  -5.32218865 +1  -4.84695326 +1
 Ga     1.33301218 +1  -0.17546245 +1   0.05828483 +1
 Ga    -3.08382160 +1  -0.92029868 +1  -2.44792863 +1
 Ga    -0.77823428 +1  -1.72371462 +1  -3.44821472 +1
 Ga     0.17945107 +1   5.14728675 +1  -1.82891977 +1
 Ga    -3.33493343 +1   2.59265092 +1   0.35860922 +1
 Ga    -1.21206692 +1   3.09571393 +1   1.49972437 +1
 Ga     0.99008456 +1   2.87690615 +1   0.41230106 +1
 Ga    -3.42787779 +1   2.01170050 +1  -2.04322082 +1
 Ga     0.27106466 +1   5.79555988 +1   0.55959386 +1
 Ga    -4.13366689 +1   5.01825248 +1  -1.92318519 +1
 Ga    -1.95106077 +1   4.75586906 +1  -3.02632602 +1
 Ga     2.29258560 +1   4.18629838 +1  -5.28699741 +1
 Ga    -1.22866920 +1   1.71954083 +1  -3.12680479 +1
 Ga     0.89663772 +1   2.17457975 +1  -1.95863061 +1
 Ga     3.09939182 +1   1.90162138 +1  -3.05756389 +1
 Ga    -1.31835986 +1   1.02735894 +1  -5.49091216 +1
 Ga     2.37603372 +1   4.84600950 +1  -2.90785907 +1
 Ga    -2.02721329 +1   4.01317290 +1  -5.37126577 +1
 Ga     0.16109360 +1   3.80140845 +1  -6.48669973 +1
 Tv     6.53158293 +1   1.27398185 +1   3.65748282 +1
 Tv     4.21368978 +1  -1.88649103 +1  -6.93040512 +1
 Tv    -0.04222751 +1  10.68119488 +1  -5.68242369 +1