SUMMARY OF  PM7 CALCULATION, Site No: 31033

                                                       MOPAC2016 (Version: 20.015M)
                                                       Sat Mar  7 03:43:14 2020
                                                       No. of days remaining = 314

           Empirical Formula: C16 H48 As8 S8  =    80 atoms

 MERS=(1,1,2) GNORM=4
 Dimethylarsino dimethyldithioarsinate (DMSARS01)



     HERBERTS TEST WAS SATISFIED IN BFGS
     SCF FIELD WAS ACHIEVED

          HEAT OF FORMATION       =        -83.21743 KCAL/MOL =    -348.18173 KJ/MOL
          H.o.F. per unit cell    =        -10.40218 KCAL, for   8 unit cells
          TOTAL ENERGY            =      -5056.67564 EV
          ELECTRONIC ENERGY       =  -11006488.29780 EV
          CORE-CORE REPULSION     =   11001431.62216 EV

          VOLUME OF UNIT CELL     =        587.434 CUBIC ANGSTROMS

          DENSITY                 =          1.550 GRAMS/CC
                              A   =         11.218 ANGSTROMS
                              B   =          7.819 ANGSTROMS
                              C   =          6.836 ANGSTROMS
                            ALPHA =         91.100 DEGREES
                            BETA  =         93.674 DEGREES
                            GAMMA =        100.838 DEGREES


          VOLUME OF CLUSTER       =       1174.86811 ANGSTROMS**3 =  707.522 CM**3/MOLE

          GRADIENT NORM           =          3.84180 = 0.42953 PER ATOM
          NO. OF FILLED LEVELS    =        100
          IONIZATION POTENTIAL    =          7.625202 EV
          HOMO LUMO ENERGIES (EV) =         -7.625 -1.604
          MOLECULAR WEIGHT        =       1096.4080
           Pressure required to constrain translation vectors
           Tv(  81)  Pressure:   0.00 GPa
           Tv(  82)  Pressure:   0.06 GPa
           Tv(  83)  Pressure:   0.05 GPa
          SCF CALCULATIONS        =         17
          WALL-CLOCK TIME         =  2 MINUTES AND 31.544 SECONDS
          COMPUTATION TIME        =  5 MINUTES AND  4.005 SECONDS


          FINAL GEOMETRY OBTAINED
 MERS=(1,1,2) GNORM=4
 Dimethylarsino dimethyldithioarsinate (DMSARS01)

 As    -0.03923610 +1   0.22839100 +1   0.24003485 +1
 As     3.62854705 +1   0.12615482 +1   0.00821770 +1
  S     0.21814256 +1   2.23648746 +1   0.27056138 +1
  S     1.66962247 +1  -0.93409673 +1  -0.67455776 +1
  C    -0.27122806 +1  -0.54943840 +1   1.99051021 +1
  H    -1.20556734 +1  -0.19033460 +1   2.47098958 +1
  H     0.54654359 +1  -0.30463602 +1   2.68593801 +1
  H    -0.35048404 +1  -1.65201536 +1   1.96877115 +1
  C    -1.51533175 +1  -0.44986013 +1  -0.78710366 +1
  H    -1.57125136 +1  -1.55602659 +1  -0.80883769 +1
  H    -1.47855896 +1  -0.13488567 +1  -1.84903733 +1
  H    -2.48866987 +1  -0.10173397 +1  -0.39001413 +1
  C     4.00122784 +1   1.33879319 +1  -1.50200500 +1
  H     5.03940418 +1   1.70076980 +1  -1.52057179 +1
  H     3.35500558 +1   2.23679507 +1  -1.45034494 +1
  H     3.81950630 +1   0.88465084 +1  -2.48936517 +1
  C     4.84321712 +1  -1.38604559 +1  -0.38524104 +1
  H     4.68779508 +1  -1.82896112 +1  -1.37822676 +1
  H     4.71233149 +1  -2.19606467 +1   0.35520011 +1
  H     5.90780071 +1  -1.10038938 +1  -0.33976027 +1
 As    -0.38888657 +1   2.05303692 +1  -4.98432371 +1
 As    -4.04852517 +1   2.06098969 +1  -4.81975161 +1
  S    -0.63001051 +1   0.04406058 +1  -5.03163333 +1
  S    -2.12758812 +1   3.18531088 +1  -4.09783911 +1
  C    -0.12653171 +1   2.86005441 +1  -6.71557978 +1
  H     0.76136817 +1   2.43638552 +1  -7.23079352 +1
  H    -0.97516865 +1   2.71092874 +1  -7.40118473 +1
  H     0.05468322 +1   3.94994058 +1  -6.65838939 +1
  C     1.07121463 +1   2.72128304 +1  -3.92628403 +1
  H     1.18625801 +1   3.82097197 +1  -3.97025680 +1
  H     0.97426361 +1   2.46474875 +1  -2.85272375 +1
  H     2.04211115 +1   2.30249058 +1  -4.25689135 +1
  C    -4.38800368 +1   0.80877134 +1  -3.32993336 +1
  H    -5.41169373 +1   0.41025755 +1  -3.32095253 +1
  H    -3.70568654 +1  -0.06139523 +1  -3.39246067 +1
  H    -4.22461817 +1   1.25547175 +1  -2.33631827 +1
  C    -5.31796143 +1   3.51824532 +1  -4.39094541 +1
  H    -5.16236901 +1   3.95070398 +1  -3.39326196 +1
  H    -5.22828511 +1   4.34381232 +1  -5.12069975 +1
  H    -6.37152637 +1   3.19316124 +1  -4.41964679 +1
 As    -1.30094520 +1  -6.31124572 +1   0.68460822 +1
 As     2.35168855 +1  -6.30554767 +1   0.50262763 +1
  S    -1.03783697 +1  -4.30475251 +1   0.73639117 +1
  S     0.43544007 +1  -7.45385139 +1  -0.19500914 +1
  C    -1.57454597 +1  -7.11777761 +1   2.41425755 +1
  H    -2.46905453 +1  -6.69779316 +1   2.92167953 +1
  H    -0.73207496 +1  -6.96390789 +1   3.10703928 +1
  H    -1.74997004 +1  -8.20869725 +1   2.35856457 +1
  C    -2.76362489 +1  -6.97316831 +1  -0.37414827 +1
  H    -2.87960010 +1  -8.07331944 +1  -0.33063041 +1
  H    -2.66877599 +1  -6.71665828 +1  -1.44765435 +1
  H    -3.73350089 +1  -6.55350542 +1  -0.04192954 +1
  C     2.68297973 +1  -5.04885827 +1  -0.98578809 +1
  H     3.70476455 +1  -4.64429757 +1  -0.99066240 +1
  H     1.99501398 +1  -4.18242157 +1  -0.92048526 +1
  H     2.52304020 +1  -5.49077516 +1  -1.98189516 +1
  C     3.62058000 +1  -7.76476578 +1   0.07889515 +1
  H     3.46968882 +1  -8.20208967 +1  -0.91793473 +1
  H     3.52459890 +1  -8.58680964 +1   0.81177934 +1
  H     4.67522473 +1  -7.44288627 +1   0.11099959 +1
 As    -1.64761107 +1  -4.47745283 +1  -4.54505941 +1
 As    -5.32157320 +1  -4.37285552 +1  -4.32310180 +1
  S    -1.89135126 +1  -6.48648642 +1  -4.56444666 +1
  S    -3.36061254 +1  -3.31881783 +1  -3.63331019 +1
  C    -1.41535023 +1  -3.69886477 +1  -6.29519116 +1
  H    -0.48348735 +1  -4.05740210 +1  -6.78061520 +1
  H    -2.23482864 +1  -3.93889475 +1  -6.98975650 +1
  H    -1.33099466 +1  -2.59653396 +1  -6.26757420 +1
  C    -0.17564265 +1  -3.79029202 +1  -3.51847944 +1
  H    -0.12546139 +1  -2.68361455 +1  -3.49951549 +1
  H    -0.21316184 +1  -4.10424759 +1  -2.45652103 +1
  H     0.79955745 +1  -4.13349620 +1  -3.91414332 +1
  C    -5.70274866 +1  -5.58523992 +1  -2.81421666 +1
  H    -6.74282113 +1  -5.94116646 +1  -2.79538848 +1
  H    -5.06085819 +1  -6.48577694 +1  -2.86632184 +1
  H    -5.52002594 +1  -5.13108678 +1  -1.82686329 +1
  C    -6.53230355 +1  -2.85884874 +1  -3.92406343 +1
  H    -6.37047908 +1  -2.42025283 +1  -2.93030569 +1
  H    -6.40295248 +1  -2.04840549 +1  -4.66398153 +1
  H    -7.59819548 +1  -3.14051897 +1  -3.96509856 +1
 Tv     8.81750544 +1  -0.75512856 +1   6.89461843 +1
 Tv     3.42423448 +1  -1.27903706 +1  -6.91143802 +1
 Tv    -3.17034475 +1 -13.24802858 +1   1.17782416 +1