SUMMARY OF  PM7 CALCULATION, Site No: 23746

                                                       MOPAC2016 (Version: 21.055M)
                                                       Wed Feb 24 19:51:53 2021
                                                       No. of days remaining = 365

           Empirical Formula: Ag32 F32  =    64 atoms

 MERS=(2,2,2)  CHARGE=0  OUTPUT THREADS=1 PM7 GRADIENTS  NOTXT            EF
 Silver(i) fluoride AgF)
 h=-48.9 hr=crc


     GRADIENTS WERE INITIALLY ACCEPTABLY SMALL
     SCF FIELD WAS ACHIEVED

          HEAT OF FORMATION       =        318.12307 KCAL/MOL =    1331.02691 KJ/MOL
          H.o.F. per unit cell    =          9.94135 KCAL, for 32 unit cells, unit cell = Ag1 F1
          TOTAL ENERGY            =     -32246.79243 EV
          ELECTRONIC ENERGY       =  -35378634.94752 EV
          CORE-CORE REPULSION     =   35346388.15509 EV

          VOLUME OF UNIT CELL     =        769.124 CUBIC ANGSTROMS

          DENSITY                 =          1.096 GRAMS/CC
                              A   =          9.255 ANGSTROMS
                              B   =          9.813 ANGSTROMS
                              C   =          9.500 ANGSTROMS
                            ALPHA =        109.835 DEGREES
                            BETA  =         94.381 DEGREES
                            GAMMA =        105.390 DEGREES


          VOLUME OF CLUSTER       =       6152.99461 ANGSTROMS**3 = 3705.417 CM**3/MOLE

          GRADIENT NORM           =          3.50195 = 0.43774 PER ATOM
          NO. OF FILLED LEVELS    =        288
          IONIZATION POTENTIAL    =          8.934725 EV
          HOMO LUMO ENERGIES (EV) =         -8.935 -5.508
          MOLECULAR WEIGHT        =       4059.7248
           Pressure required to constrain translation vectors
           Tv(  65)  Pressure:  -0.01 GPa
           Tv(  66)  Pressure:  -0.00 GPa
           Tv(  67)  Pressure:   0.00 GPa
          SCF CALCULATIONS        =          1
          WALL-CLOCK TIME         =         19.031 SECONDS
          COMPUTATION TIME        =         18.721 SECONDS


          FINAL GEOMETRY OBTAINED
 MERS=(2,2,2)  CHARGE=0  OUTPUT THREADS=1 PM7 GRADIENTS  NOTXT            EF
 Silver(i) fluoride AgF)
 h=-48.9 hr=crc
 Ag    -2.36669335 +1  -0.01095416 +1  -2.05331015 +1
  F    -2.04954782 +1   0.73400605 +1  -4.80979193 +1
  F     0.49635200 +1  -3.14138595 +1  -3.16347469 +1
  F    -3.78529353 +1   1.00603060 +1  -0.07313521 +1
 Ag    -4.92632993 +1  -0.81625791 +1  -1.62435930 +1
 Ag    -4.32662590 +1   1.18565763 +1  -3.36476370 +1
 Ag    -3.63750191 +1  -1.35745534 +1  -4.08143852 +1
  F    -5.90422015 +1  -1.79640922 +1  -3.51199852 +1
 Ag     6.04624372 +1   4.85264573 +1  -3.49149613 +1
  F     2.50134702 +1   2.62180090 +1  -3.03916394 +1
  F     5.26329363 +1   3.32097579 +1  -4.86765450 +1
  F     3.18450698 +1   1.62084414 +1  -2.31014010 +1
 Ag     2.51042831 +1  -3.57020129 +1  -3.58505273 +1
 Ag    -0.10675588 +1   0.41852125 +1  -5.65488258 +1
 Ag     3.97211393 +1   2.07131919 +1  -6.28390286 +1
  F     2.05576371 +1   0.99804012 +1  -6.20526696 +1
 Ag    -3.46816282 +1   3.43764848 +1   2.83640344 +1
  F    -3.44351539 +1   5.64631143 +1   1.35217437 +1
  F    -1.64639739 +1   3.66710644 +1   1.63858454 +1
  F    -5.66882306 +1   3.04762430 +1   3.46962647 +1
 Ag    -5.41050221 +1   1.88824449 +1   1.35255468 +1
 Ag    -5.55602441 +1   4.76562420 +1   1.50585168 +1
 Ag    -3.49220146 +1   3.51527249 +1   0.03418396 +1
  F    -6.11551709 +1   3.39097981 +1  -0.36202243 +1
 Ag     5.75214314 +1   8.41793692 +1  -0.52879104 +1
  F     4.55905693 +1  10.22314025 +1  -1.58143957 +1
  F     5.33141522 +1   6.41110495 +1  -1.97425058 +1
  F     4.57811188 +1   7.94619815 +1   1.51253040 +1
 Ag     3.65663057 +1   6.46975019 +1  -0.14546221 +1
 Ag     3.09572679 +1   9.24340585 +1   0.08199223 +1
 Ag     3.66113674 +1   8.17893245 +1  -2.48021268 +1
  F     1.78551593 +1   7.56536380 +1  -1.18041998 +1
 Ag     0.59060045 +1  -7.12698908 +1   3.90531445 +1
  F     0.40870662 +1  -5.32385623 +1   2.32562256 +1
  F     0.36680775 +1  -9.13084273 +1   2.56978327 +1
  F    -1.43518616 +1  -6.99829506 +1   5.25094264 +1
 Ag    -1.82252293 +1  -8.56319860 +1   3.45104409 +1
 Ag    -1.79995658 +1  -5.71442481 +1   3.24508189 +1
 Ag    -0.50693394 +1  -7.30167470 +1   1.26833969 +1
  F    -2.89806351 +1  -7.24617390 +1   1.73097765 +1
 Ag     8.22517169 +1  -4.02455596 +1  -0.57651319 +1
  F     7.54623227 +1  -1.74781912 +1  -1.11719631 +1
  F     8.23321571 +1  -5.20585420 +1  -2.69778277 +1
  F     6.35623462 +1  -4.96411589 +1   0.64913224 +1
 Ag     6.08842346 +1  -5.55496576 +1  -1.67021890 +1
 Ag     5.57419278 +1  -2.98468648 +1  -0.48459473 +1
 Ag     7.00076846 +1  -3.15287366 +1  -2.98719681 +1
  F     4.70034486 +1  -3.80621273 +1  -2.65294228 +1
 Ag     1.26119005 +1   0.46906067 +1   9.94246411 +1
  F     0.35450659 +1   2.29388980 +1   8.64553941 +1
  F     1.59439911 +1  -1.32158981 +1   8.36110892 +1
  F    -0.54336474 +1  -0.26136201 +1  11.36454987 +1
 Ag    -0.58024959 +1  -1.63402678 +1   9.38235937 +1
 Ag    -1.50517140 +1   1.06105033 +1   9.58449078 +1
 Ag     0.07988031 +1   0.26480183 +1   7.35168176 +1
  F    -2.13608308 +1  -0.54622504 +1   7.89440506 +1
 Ag     9.17587453 +1   3.23250482 +1   7.04842098 +1
  F     8.40979407 +1   4.94392220 +1   5.47444977 +1
  F     9.66515318 +1   1.29318421 +1   5.63517392 +1
  F     7.16538010 +1   2.57980672 +1   8.27525560 +1
 Ag     7.40007916 +1   1.08799252 +1   6.40892164 +1
 Ag     6.47562213 +1   3.77677436 +1   6.30320391 +1
 Ag     8.32282358 +1   2.82484329 +1   4.35135947 +1
  F     6.05069198 +1   2.05042298 +1   4.64087778 +1
 Tv    16.19144624 +1   5.02220761 +1  -7.43052903 +1
 Tv    -5.60328453 +1  15.21945897 +1  11.05089726 +1
 Tv     7.57955456 +1 -13.50989249 +1  11.00039260 +1