SUMMARY OF  PM7 CALCULATION, Site No: 31033

                                                       MOPAC2016 (Version: 20.015M)
                                                       Sat Mar  7 08:52:37 2020
                                                       No. of days remaining = 314

           Empirical Formula: He36  =    36 atoms

 MERS=(2,3,3) GNORM=4
 Helium (He) (ICSD 44396)
 H=0 hr=element


     HERBERTS TEST WAS SATISFIED IN BFGS
     SCF FIELD WAS ACHIEVED

          HEAT OF FORMATION       =         -3.32203 KCAL/MOL =     -13.89938 KJ/MOL
          H.o.F. per unit cell    =         -0.09228 KCAL, for  36 unit cells
          TOTAL ENERGY            =      -1947.47457 EV
          ELECTRONIC ENERGY       =   -1887645.74881 EV
          CORE-CORE REPULSION     =    1885698.27424 EV

          VOLUME OF UNIT CELL     =         61.471 CUBIC ANGSTROMS

          DENSITY                 =          0.216 GRAMS/CC
                              A   =          5.693 ANGSTROMS
                              B   =          3.531 ANGSTROMS
                              C   =          3.531 ANGSTROMS
                            ALPHA =        120.000 DEGREES
                            BETA  =         90.000 DEGREES
                            GAMMA =         90.000 DEGREES


          VOLUME OF CLUSTER       =       1106.47201 ANGSTROMS**3 =  666.333 CM**3/MOLE

          GRADIENT NORM           =          0.08718 = 0.01453 PER ATOM
          NO. OF FILLED LEVELS    =         36
          IONIZATION POTENTIAL    =         22.325659 EV
          HOMO LUMO ENERGIES (EV) =        -22.326137.328
          MOLECULAR WEIGHT        =        144.0936
           Pressure required to constrain translation vectors
           Tv(  37)  Pressure:   0.00 GPa
           Tv(  38)  Pressure:   0.00 GPa
           Tv(  39)  Pressure:   0.00 GPa
          SCF CALCULATIONS        =          2
          WALL-CLOCK TIME         =          1.779 SECONDS
          COMPUTATION TIME        =          5.107 SECONDS


          FINAL GEOMETRY OBTAINED
 MERS=(2,3,3) GNORM=4
 Helium (He) (ICSD 44396)
 H=0 hr=element
 He     0.00000000 +1   0.00000000 +1   0.00000000 +1
 He    -2.90771728 +1  -0.82869932 +1   1.76549768 +1
 He     4.62842190 +1   3.31480914 +1   0.00000000 +1
 He     1.72070462 +1   2.48610982 +1   1.76549768 +1
 He    -1.78051599 +1   2.48610931 +1  -1.76550632 +1
 He    -4.68823327 +1   1.65740999 +1  -0.00000864 +1
 He     2.84790592 +1   5.80091844 +1  -1.76550632 +1
 He    -0.05981136 +1   4.97221913 +1  -0.00000864 +1
 He    -3.56103197 +1   4.97221862 +1  -3.53101264 +1
 He    -6.46874925 +1   4.14351930 +1  -1.76551497 +1
 He     1.06738993 +1   8.28702775 +1  -3.53101264 +1
 He    -1.84032735 +1   7.45832844 +1  -1.76551497 +1
 He     1.78051638 +1  -2.48610982 +1  -1.76549768 +1
 He    -1.12720090 +1  -3.31480914 +1   0.00000000 +1
 He     6.40893828 +1   0.82869932 +1  -1.76549768 +1
 He     3.50122100 +1   0.00000000 +1   0.00000000 +1
 He     0.00000039 +1  -0.00000051 +1  -3.53100400 +1
 He    -2.90771689 +1  -0.82869983 +1  -1.76550632 +1
 He     4.62842229 +1   3.31480862 +1  -3.53100400 +1
 He     1.72070501 +1   2.48610931 +1  -1.76550632 +1
 He    -1.78051560 +1   2.48610880 +1  -5.29651032 +1
 He    -4.68823288 +1   1.65740948 +1  -3.53101264 +1
 He     2.84790631 +1   5.80091793 +1  -5.29651032 +1
 He    -0.05981097 +1   4.97221862 +1  -3.53101264 +1
 He     3.56103275 +1  -4.97221964 +1  -3.53099536 +1
 He     0.65331547 +1  -5.80091896 +1  -1.76549768 +1
 He     8.18945466 +1  -1.65741050 +1  -3.53099536 +1
 He     5.28173738 +1  -2.48610982 +1  -1.76549768 +1
 He     1.78051676 +1  -2.48611033 +1  -5.29650168 +1
 He    -1.12720051 +1  -3.31480965 +1  -3.53100400 +1
 He     6.40893867 +1   0.82869881 +1  -5.29650168 +1
 He     3.50122139 +1  -0.00000051 +1  -3.53100400 +1
 He     0.00000078 +1  -0.00000102 +1  -7.06200800 +1
 He    -2.90771650 +1  -0.82870034 +1  -5.29651032 +1
 He     4.62842268 +1   3.31480811 +1  -7.06200800 +1
 He     1.72070540 +1   2.48610880 +1  -5.29651032 +1
 Tv     9.25684381 +1   6.62961827 +1   0.00000000 +1
 Tv    -5.34154796 +1   7.45832793 +1  -5.29651897 +1
 Tv     5.34154913 +1  -7.45832946 +1  -5.29649303 +1