SUMMARY OF  PM7 CALCULATION, Site No: 23746

                                                       MOPAC2016 (Version: 20.046M)
                                                       Sat Feb 22 20:10:07 2020
                                                       No. of days remaining = 358

           Empirical Formula: C40 H60 Co4  =   104 atoms

 MERS=(1,1,1) PL GNORM=4
 bis(Pentamethyl-cyclopentadienyl)-di-cobalt (VOGKEH)



     HERBERTS TEST WAS SATISFIED IN BFGS
     SCF FIELD WAS ACHIEVED

          HEAT OF FORMATION       =        222.24122 KCAL/MOL =     929.85726 KJ/MOL
          H.o.F. per unit cell    =         55.56030 KCAL, for   4 unit cells
          TOTAL ENERGY            =      -7323.09085 EV
          ELECTRONIC ENERGY       =  -23939293.99088 EV
          CORE-CORE REPULSION     =   23931970.90003 EV

          VOLUME OF UNIT CELL     =        945.154 CUBIC ANGSTROMS

          DENSITY                 =          1.364 GRAMS/CC
                              A   =         11.188 ANGSTROMS
                              B   =          8.900 ANGSTROMS
                              C   =         10.123 ANGSTROMS
                            ALPHA =        104.689 DEGREES
                            BETA  =        104.081 DEGREES
                            GAMMA =         88.417 DEGREES


          GRADIENT NORM           =          3.66254 = 0.35914 PER ATOM
          NO. OF FILLED LEVELS    =        128
          IONIZATION POTENTIAL    =          7.825486 EV
          HOMO LUMO ENERGIES (EV) =         -7.825 -0.867
          MOLECULAR WEIGHT        =        776.6468
           Pressure required to constrain translation vectors
           Tv( 105)  Pressure:  -0.03 GPa
           Tv( 106)  Pressure:  -0.00 GPa
           Tv( 107)  Pressure:  -0.07 GPa
          SCF CALCULATIONS        =        323
          WALL-CLOCK TIME         = 59 MINUTES AND 21.531 SECONDS
          COMPUTATION TIME        =  1 HOUR 28 MINUTES AND 27.865 SECONDS


          FINAL GEOMETRY OBTAINED
 MERS=(1,1,1) PL GNORM=4
 bis(Pentamethyl-cyclopentadienyl)-di-cobalt (VOGKEH)

 Co    -0.42320713 +1   0.16706682 +1  -0.47945312 +1
  C     1.64435362 +1   0.89629965 +1  -0.46597515 +1
  C     0.77839072 +1   1.97194896 +1  -0.84617864 +1
  C     0.14005080 +1   1.62090613 +1  -2.10040116 +1
  C     0.55328766 +1   0.30321505 +1  -2.45545818 +1
  C     1.44883277 +1  -0.17992744 +1  -1.41646968 +1
  C     2.61300638 +1   0.90157700 +1   0.65909762 +1
  C     0.71848793 +1   3.28677022 +1  -0.15989014 +1
  C    -0.61379926 +1   2.54981318 +1  -2.98593456 +1
  C     0.22702910 +1  -0.41830114 +1  -3.70754182 +1
  C     2.24536756 +1  -1.43228130 +1  -1.48326991 +1
 Co    -1.65848654 +1  -0.83344728 +1   0.64943486 +1
  C    -3.12814164 +1   0.24327289 +1   1.49034241 +1
  C    -2.41969021 +1  -0.26314285 +1   2.69489046 +1
  C    -2.51451093 +1  -1.65774116 +1   2.68531035 +1
  C    -3.39637813 +1  -2.05739088 +1   1.58867784 +1
  C    -3.88064965 +1  -0.90770702 +1   0.94514335 +1
  C    -3.48491339 +1   1.68178111 +1   1.34604693 +1
  C    -1.77752497 +1   0.61666167 +1   3.69887262 +1
  C    -1.92853590 +1  -2.57347842 +1   3.69115579 +1
  C    -3.83193744 +1  -3.44560186 +1   1.29682944 +1
  C    -4.99316531 +1  -0.86332345 +1  -0.03166954 +1
 Co    -2.86627310 +1   1.31175100 +1  -5.14921055 +1
  C    -4.96683450 +1   0.81599277 +1  -5.57309684 +1
  C    -4.22230218 +1  -0.41249096 +1  -5.32939098 +1
  C    -3.69231771 +1  -0.36524455 +1  -4.00673373 +1
  C    -4.01907465 +1   0.94273063 +1  -3.45505992 +1
  C    -4.90500654 +1   1.61918787 +1  -4.39526871 +1
  C    -5.80749722 +1   1.04067107 +1  -6.77731952 +1
  C    -4.22434677 +1  -1.57446480 +1  -6.25202361 +1
  C    -3.02434031 +1  -1.46586478 +1  -3.26899924 +1
  C    -3.71273594 +1   1.42064860 +1  -2.08348035 +1
  C    -5.67586726 +1   2.84720401 +1  -4.08718527 +1
 Co    -1.17628252 +1   2.18865351 +1  -5.53395846 +1
  C     0.57470755 +1   1.52611659 +1  -6.76862276 +1
  C    -0.63055302 +1   2.08510499 +1  -7.44188709 +1
  C    -0.53749507 +1   3.55621975 +1  -7.27540756 +1
  C     0.42957429 +1   3.80583412 +1  -6.30071802 +1
  C     1.12190752 +1   2.55271990 +1  -5.99102472 +1
  C     1.05608819 +1   0.13881659 +1  -6.96108165 +1
  C    -1.43787017 +1   1.36793054 +1  -8.46629877 +1
  C    -1.29383375 +1   4.55619645 +1  -8.07244415 +1
  C     0.80347177 +1   5.14162072 +1  -5.77393791 +1
  C     2.30902335 +1   2.46815523 +1  -5.10452975 +1
  H     3.16151816 +1   1.85481389 +1   0.69776069 +1
  H     3.35270649 +1   0.09345393 +1   0.55037007 +1
  H     2.09764668 +1   0.76210631 +1   1.62198434 +1
  H     1.71836824 +1   3.75040586 +1  -0.12276294 +1
  H     0.36501131 +1   3.16981331 +1   0.87619876 +1
  H     0.04493391 +1   3.99270911 +1  -0.66707351 +1
  H     0.04647181 +1   2.93740525 +1  -3.80018983 +1
  H    -1.50692167 +1   2.01577751 +1  -3.46174353 +1
  H    -1.02911663 +1   3.41633846 +1  -2.45657445 +1
  H     1.12214615 +1  -0.53373190 +1  -4.33711980 +1
  H    -0.19967600 +1  -1.40838293 +1  -3.50572933 +1
  H    -0.52949997 +1   0.14961382 +1  -4.31733594 +1
  H     3.24290858 +1  -1.23252068 +1  -1.91823701 +1
  H     2.40158525 +1  -1.87626003 +1  -0.48934814 +1
  H     1.76513814 +1  -2.19486163 +1  -2.11092877 +1
  H    -2.58567468 +1   2.31173216 +1   1.42950036 +1
  H    -3.95027629 +1   1.89420735 +1   0.37635249 +1
  H    -4.19783167 +1   1.98561918 +1   2.13255135 +1
  H    -0.83691268 +1   1.03031021 +1   3.30003676 +1
  H    -1.55240490 +1   0.06899937 +1   4.62635800 +1
  H    -2.43243819 +1   1.46497779 +1   3.95623116 +1
  H    -0.88915885 +1  -2.31046481 +1   3.93316114 +1
  H    -1.87952834 +1  -3.63726213 +1   3.31137120 +1
  H    -2.52627622 +1  -2.59156952 +1   4.61413994 +1
  H    -3.16056421 +1  -4.20182334 +1   1.77234974 +1
  H    -4.84424611 +1  -3.62906732 +1   1.69079956 +1
  H    -3.84269014 +1  -3.65195462 +1   0.21791423 +1
  H    -4.61992253 +1  -0.91193771 +1  -1.06923095 +1
  H    -5.68046514 +1  -1.71150795 +1   0.10943013 +1
  H    -5.57855402 +1   0.06271796 +1   0.08247203 +1
  H    -5.19938335 +1   1.36404968 +1  -7.63649561 +1
  H    -6.32576726 +1   0.11260120 +1  -7.07298368 +1
  H    -6.57305788 +1   1.80997208 +1  -6.59661433 +1
  H    -3.48418587 +1  -2.33441060 +1  -5.96092471 +1
  H    -5.21575571 +1  -2.06051134 +1  -6.24660556 +1
  H    -4.00642958 +1  -1.26456860 +1  -7.28450582 +1
  H    -2.42215801 +1  -1.08002864 +1  -2.41766591 +1
  H    -2.34594534 +1  -2.03779433 +1  -3.91854835 +1
  H    -3.77268422 +1  -2.16305507 +1  -2.85720904 +1
  H    -3.39172375 +1   2.47345343 +1  -2.09007678 +1
  H    -2.88750366 +1   0.83773057 +1  -1.60499323 +1
  H    -4.60312848 +1   1.33345882 +1  -1.43970526 +1
  H    -5.92514391 +1   2.91238864 +1  -3.01372701 +1
  H    -6.62995093 +1   2.87989968 +1  -4.63297272 +1
  H    -5.11614407 +1   3.76326900 +1  -4.33455318 +1
  H     1.45852373 +1  -0.00355517 +1  -7.98115468 +1
  H     0.23659629 +1  -0.58432943 +1  -6.82306335 +1
  H     1.85957746 +1  -0.12065798 +1  -6.25690568 +1
  H    -0.90049602 +1   0.50060138 +1  -8.87803530 +1
  H    -2.36177317 +1   0.99417402 +1  -7.97527391 +1
  H    -1.72035933 +1   2.02866658 +1  -9.29659453 +1
  H    -1.22442401 +1   4.36538797 +1  -9.15600298 +1
  H    -2.37834632 +1   4.53761221 +1  -7.80606768 +1
  H    -0.80455298 +1   5.59817181 +1  -7.93902852 +1
  H     1.74200582 +1   5.49456612 +1  -6.23245707 +1
  H     0.93891581 +1   5.12922708 +1  -4.68303795 +1
  H     0.02647013 +1   5.89485402 +1  -6.00751095 +1
  H     3.14399132 +1   1.96106161 +1  -5.61038526 +1
  H     2.08539644 +1   1.90497426 +1  -4.18048069 +1
  H     2.66175086 +1   3.46153713 +1  -4.78858005 +1
 Tv     0.80691282 +1  -7.53086639 +1   8.23508096 +1
 Tv     1.54525727 +1   6.37617218 +1   6.01351793 +1
 Tv     8.72256076 +1  -0.93152167 +1  -5.05269870 +1