SUMMARY OF  PM7 CALCULATION, Site No: 31033

                                                       MOPAC2016 (Version: 20.015M)
                                                       Sun Mar  8 11:08:49 2020
                                                       No. of days remaining = 313

           Empirical Formula: H32 N16 Na16  =    64 atoms

 MERS=(1,1,1) GNORM=4
 Sodium amide (NaNH2) (ICSD 14007)
 h=-29.6 hr=guess


     HERBERTS TEST WAS SATISFIED IN BFGS
     SCF FIELD WAS ACHIEVED

          HEAT OF FORMATION       =       -787.17408 KCAL/MOL =   -3293.53635 KJ/MOL
          H.o.F. per unit cell    =        -49.19838 KCAL, for  16 unit cells
          TOTAL ENERGY            =      -3552.56767 EV
          ELECTRONIC ENERGY       =   -7076885.65813 EV
          CORE-CORE REPULSION     =    7073333.09046 EV

          VOLUME OF UNIT CELL     =        783.701 CUBIC ANGSTROMS

          DENSITY                 =          1.323 GRAMS/CC
                              A   =          7.688 ANGSTROMS
                              B   =         11.361 ANGSTROMS
                              C   =          8.973 ANGSTROMS
                            ALPHA =         90.126 DEGREES
                            BETA  =         90.512 DEGREES
                            GAMMA =         90.730 DEGREES


          GRADIENT NORM           =         32.10647 = 4.01331 PER ATOM
          NO. OF FILLED LEVELS    =         64
          IONIZATION POTENTIAL    =         10.271598 EV
          HOMO LUMO ENERGIES (EV) =        -10.272  3.463
          MOLECULAR WEIGHT        =        624.1963
           Pressure required to constrain translation vectors
           Tv(  65)  Pressure:  -0.43 GPa
           Tv(  66)  Pressure:  -0.07 GPa
           Tv(  67)  Pressure:  -0.29 GPa
          SCF CALCULATIONS        =         35
          WALL-CLOCK TIME         =  2 MINUTES AND 29.758 SECONDS
          COMPUTATION TIME        =  5 MINUTES AND 42.214 SECONDS


          FINAL GEOMETRY OBTAINED
 MERS=(1,1,1) GNORM=4
 Sodium amide (NaNH2) (ICSD 14007)
 h=-29.6 hr=guess
 Na     0.59832490 +1   0.54883729 +1   0.30051638 +1
 Na    -3.98641679 +1   2.08759755 +1  -1.51772696 +1
 Na    -0.80888267 +1   2.81317012 +1  -0.43945487 +1
 Na     3.83441554 +1   1.25307143 +1   1.11550371 +1
 Na    -6.02616942 +1   0.31433358 +1  -1.28826091 +1
 Na     2.52716717 +1   0.53255922 +1  -1.59225742 +1
 Na    -3.85862246 +1  -1.47511346 +1   4.34521369 +1
 Na    -2.91585257 +1   1.75202543 +1   1.08821764 +1
 Na    -0.98274519 +1   6.21299468 +1   0.70870558 +1
 Na    -2.42592653 +1   3.12598433 +1   4.13374872 +1
 Na     0.77651057 +1  -2.84901978 +1  -0.80609809 +1
 Na     2.22914903 +1   0.17669280 +1  -4.44579182 +1
 Na    -4.42577456 +1   1.36129340 +1   4.38253261 +1
 Na     0.90143132 +1   6.27004534 +1  -1.24229642 +1
 Na    -5.49375054 +1  -2.50846309 +1  -1.28230657 +1
 Na    -1.26652402 +1  -3.95540480 +1   0.75060576 +1
  N     0.64021633 +1   1.67684575 +1  -1.70400195 +1
  N    -4.16743980 +1   0.31180666 +1  -0.07283575 +1
  N    -0.86486013 +1   1.43051965 +1   1.66268764 +1
  N    -5.68916738 +1  -0.23925630 +1   3.64726070 +1
  N    -2.76630336 +1  -2.33382405 +1   2.69683760 +1
  N     2.55410909 +1  -0.40645839 +1   0.65353877 +1
  N    -7.89094469 +1   2.17138390 +1   0.95556048 +1
  N    -2.72099905 +1   3.66913307 +1  -0.87281826 +1
  N     2.24270732 +1   2.74923203 +1   3.92990378 +1
  N    -2.54846313 +1   1.32673598 +1   5.60157189 +1
  N    -2.44745112 +1   0.38866570 +1  -3.94257786 +1
  N    -7.35211641 +1  -1.30834341 +1  -1.90048824 +1
  N    -4.43269829 +1   3.30139253 +1   3.05942679 +1
  N     0.94697999 +1   5.21143435 +1   1.02781842 +1
  N    -6.20395865 +1  -3.44451003 +1   0.60838149 +1
  N    -1.13740889 +1  -1.99377285 +1  -1.20819775 +1
  H    -6.08748540 +1  -4.45854181 +1   0.70686248 +1
  H    -7.36036944 +1  -1.35399553 +1  -2.91844169 +1
  H    -8.22057368 +1  -0.80721492 +1  -1.69650125 +1
  H    -5.39752216 +1  -3.08182698 +1   1.11901316 +1
  H    -4.11932607 +1   4.11381330 +1   2.52633543 +1
  H    -2.94979746 +1   0.87264932 +1   6.42041144 +1
  H    -1.85961319 +1   0.65319059 +1   5.26460470 +1
  H    -5.13746650 +1   2.91581958 +1   2.43115365 +1
  H    -2.54654215 +1  -0.39005301 +1  -3.28872826 +1
  H    -0.97916079 +1  -1.35435635 +1  -1.98176184 +1
  H    -1.61694362 +1  -1.39153441 +1  -0.53299206 +1
  H    -1.97125319 +1   1.08790108 +1  -3.38282114 +1
  H     2.54519455 +1   3.58628477 +1   3.42921384 +1
  H     0.68598071 +1   4.72965635 +1   1.88792767 +1
  H     1.49793120 +1   4.49526924 +1   0.56408444 +1
  H     1.63491926 +1   2.25830151 +1   3.28584529 +1
  H    -7.84364866 +1   1.17308275 +1   1.08192815 +1
  H    -5.62691849 +1  -0.33037940 +1   2.63635310 +1
  H    -6.57306933 +1   0.24480150 +1   3.76837865 +1
  H    -7.07907944 +1   2.51750680 +1   1.46668875 +1
  H    -2.44299022 +1  -1.54431089 +1   2.14696319 +1
  H    -4.59847026 +1  -0.07992771 +1   0.76012432 +1
  H    -3.49112130 +1  -0.39344115 +1  -0.36244001 +1
  H    -3.46287597 +1  -2.73470252 +1   2.07079264 +1
  H    -1.01611222 +1   0.63975675 +1   2.28620712 +1
  H    -2.53330228 +1   4.25848565 +1  -1.67574860 +1
  H    -3.17864727 +1   4.30637209 +1  -0.23889399 +1
  H    -0.36625294 +1   2.08168193 +1   2.24549231 +1
  H     1.00571371 +1   2.49135176 +1  -2.18874892 +1
  H     2.30397671 +1  -0.82211503 +1   1.54384656 +1
  H     3.08289577 +1  -1.16562847 +1   0.23341787 +1
  H     0.02630560 +1   1.22021232 +1  -2.37463728 +1
 Tv     3.23660462 +1  -4.59364703 +1   5.24704943 +1
 Tv    10.24308647 +1   3.31636990 +1  -3.62713108 +1
 Tv     0.02335861 +1  -6.68573678 +1  -5.98517830 +1