PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ni(ii)(nh3)6   3517 Ni(II)(NH3)6

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    #  Species Formula
  3507 Co2(CO)8 (Geo)C8O8Co2
  3508 Cobalt dichloride, dimerCl4Co2
  3509 Nickel, cationNi
  3510 Nickel, atomNi
  3511 Ni(II)(NH3)4H12N4Ni
  3512 Ni(II)(NH3)4 (Geo)H12N4Ni
  3513 Ni(II)(CN)4C4N4Ni
  3514 Ni(II)(CN)4 (Geo)C4N4Ni
  3515 Pentacyanonickelate(II) ion (Geo)C5N5Ni
  3516 Pentacyanonickelate(II) ionC5N5Ni
  3517 Ni(II)(NH3)6 H18N6Ni
  3518 Ni(II)(NH3)6 (Geo)H18N6Ni
  3519 Ni(II)(en)3 (Geo)C6H24N6Ni
  3520 Ni(II)N6(2+) (AEAMNI10) (Geo)C8H26N6Ni
  3521 Nickel phthalocyanine (Geo)C32H16N8Ni
  3522 Nickel monoxideONi
  3523 cis-Ni(II)(OH)2.(H2O)2H6O4Ni
  3524 cis-Ni(II)(OH)2.(H2O)2 (Geo)H6O4Ni
  3525 trans-Ni(II)(OH)2.(H2O)2H6O4Ni
  3526 trans-Ni(II)(OH)2.(H2O)2 (Geo)H6O4Ni
  3527 Ni(II)(OH).(H2O)3H7O4Ni


ΔHf: 271.4 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=2 OPEN(8,5) SHIFT=80 PM7
Ni(II)(NH3)6
 H=271.4 HR=PW91D
 Ni     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.95710075 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.97574435 +1  113.5902641 +1    0.0000000 +0     1     2     0
  N     1.98062401 +1  108.0944648 +1  109.0498769 +1     1     2     3
  N     1.97049638 +1  110.8554872 +1 -125.6363855 +1     1     2     3
  N     4.34963905 +1   37.7284263 +1 -158.8849463 +1     1     2     5
  H     1.00901653 +1  120.5169510 +1   66.7371877 +1     6     1     3
  H     1.00493119 +1   96.8840394 +1 -115.0568315 +1     6     1     7
  H     1.03105188 +1  113.1982780 +1   59.4854839 +1     5     1     2
  H     1.03094915 +1  113.2320285 +1 -120.2719438 +1     5     1     9
  H     1.02673606 +1  116.1734561 +1 -132.2709171 +1     4     1     3
  H     1.03611908 +1  110.2181730 +1  121.2944762 +1     4     1    11
  H     1.02762221 +1  115.6207742 +1 -114.6395456 +1     3     1     2
  H     1.04008368 +1  109.6586397 +1 -120.0176179 +1     3     1    13
  H     1.02994518 +1  113.2449805 +1   46.3117543 +1     2     1     3
  H     1.05456619 +1  113.7964301 +1 -120.4466740 +1     2     1    15
  N     4.21903483 +1  130.5698148 +1  101.6545120 +1     1     2    15
  H     1.00864908 +1  107.5873196 +1  156.9105430 +1    17     1     2
  H     1.00879083 +1  113.3213075 +1 -118.5068900 +1    17     1    18
  H     1.03037884 +1  113.2772107 +1 -119.8727131 +1     2     1    16
  H     1.02885919 +1  112.6736372 +1 -117.8904142 +1     3     1    14
  H     1.02849587 +1  110.5732823 +1  117.4356696 +1     4     1    12
  H     1.03113232 +1  112.5892058 +1 -119.8358756 +1     5     1    10
  H     1.00800504 +1  115.3422070 +1 -113.4179702 +1     6     1     8
  H     1.00944566 +1  114.6646903 +1 -122.7291504 +1    17     1    19