Accuracy

ni(ii)(nh3)4   3510 Ni(II)(NH3)4

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    #  Species Formula
  3500 Co(III)N3Cl3 (AMPRCO) (Geo)C6H17N3Cl3Co
  3501 Co(III)N3Cl3 (AMPRCO)C6H17N3Cl3Co
  3502 Co(III)SN2Cl3 (CATBAA) (Geo)C4H12N2SCl3Co
  3503 Co(III)SN2Cl3 (CATBAA)C4H12N2SCl3Co
  3504 Co(II)Cl4(2-) (DMDPCO) (Geo)Cl4Co
  3505 Co2(CO)8C8O8Co2
  3506 Co2(CO)8 (Geo)C8O8Co2
  3507 Cobalt dichloride, dimerCl4Co2
  3508 Nickel, cationNi
  3509 Nickel, atomNi
  3510 Ni(II)(NH3)4 H12N4Ni
  3511 Ni(II)(NH3)4 (Geo)H12N4Ni
  3512 Ni(II)(CN)4C4N4Ni
  3513 Ni(II)(CN)4 (Geo)C4N4Ni
  3514 Pentacyanonickelate(II) ion (Geo)C5N5Ni
  3515 Pentacyanonickelate(II) ionC5N5Ni
  3516 Ni(II)(NH3)6H18N6Ni
  3517 Ni(II)(NH3)6 (Geo)H18N6Ni
  3518 Ni(II)(en)3 (Geo)C6H24N6Ni
  3519 Ni(II)N6(2+) (AEAMNI10) (Geo)C8H26N6Ni
  3520 Nickel phthalocyanine (Geo)C32H16N8Ni


ΔHf: 319.5 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 PULAY SHIFT=80 SYMMETRY OPEN(8,5) PM7
Ni(II)(NH3)4
 H=319.5 HR=PW91D
 
 Ni     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.01969126 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.01969126 +0   89.8593762 +1    0.0000000 +0     1     2     0
  N     2.01969126 +0   91.5148269 +1 -179.9931752 +1     1     3     2
  N     2.01969126 +0   88.8150189 +1  179.9919548 +1     1     2     3
  H     1.02956135 +1  114.5992085 +1   -0.0020889 +1     2     1     3
  H     1.03079859 +1  112.7745946 +1  120.1348079 +1     2     1     6
  H     1.03077102 +1  112.7823976 +1  119.7452681 +1     2     1     7
  H     1.02925884 +1  114.6527557 +1 -179.9114749 +1     3     1     2
  H     1.03098888 +1  112.6822334 +1  120.0313198 +1     3     1     9
  H     1.03095397 +1  112.6874228 +1  119.9287528 +1     3     1    10
  H     1.02928196 +1  114.6542874 +1   -0.0571928 +1     4     1     3
  H     1.03099279 +1  112.6837961 +1  120.0293420 +1     4     1    12
  H     1.03095616 +1  112.6949218 +1  119.9370892 +1     4     1    13
  H     1.02955934 +1  114.6176148 +1  179.8741160 +1     5     1     2
  H     1.03082091 +1  112.7702169 +1  120.1372935 +1     5     1    15
  H     1.03078604 +1  112.7868837 +1  119.7384409 +1     5     1    16
 
   2  1    3    4    5