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

ni(ii)(h2s)4   3576 Ni(II)(H2S)4

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    #  Species Formula
  3566 Ni complex (Square, 2S and 2N)C11H21N2O2S2Ni
  3567 Ni complex (Square, 2S and 2N for Ni-S-C) (Geo)C11H21N2O2S2Ni
  3568 cis (Me2S)2NiF2 (Geo)C4H12F2S2Ni
  3569 cis (Me2S)2NiF2C4H12F2S2Ni
  3570 trans (Me2S)2NiF2 (Geo)C4H12F2S2Ni
  3571 trans (Me2S)2NiF2C4H12F2S2Ni
  3572 Ni 2S and 2F (Geo)C7H16F2S2Ni
  3573 Ni(II)P2S2 (KUSLOZ) (Geo)C8H20P2S2Ni
  3574 Ni(II)S2C2(-) (CUSJUV) (Geo)C2N3S3Ni
  3575 Ni(II)S2C2(-) (CUSJUV)C2N3S3Ni
  3576 Ni(II)(H2S)4 H8S4Ni
  3577 Ni(II)(H2S)4 (Geo)H8S4Ni
  3578 Ni(II)(N2S2H)2H2N4S4Ni
  3579 Ni(ii)(N2S2H)2 (Geo)H2N4S4Ni
  3580 Ni(III)S4(-) (TROPNJ) (Geo)C8N4S4Ni
  3581 Ni(III)S4(-) (TROPNJ)C8N4S4Ni
  3582 Ni(II)S4(2-) (TOXNIA) (Geo)C4O4S4Ni
  3583 Ni(II)S4(2-) (TOXNIA)C4O4S4Ni
  3584 Ni(II)S4Br2 (ZOTVUZ) (Geo)C10H20N2S6Ni
  3585 Ni(II)S4Br2 (ZOTVUZ)C10H20N2S6Ni
  3586 Nickel(I) chlorideClNi


ΔHf: 384.0 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 UHF SHIFT=80 SYMMETRY PM7
Ni(II)(H2S)4
 H=383.97 HR=PW91D
 Ni     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.32044125 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.32044125 +0   93.5339090 +1    0.0000000 +0     1     2     0
  S     2.32044125 +0  144.5974886 +1   -5.8537533 +1     1     2     3
  S     2.32044125 +0  114.7378983 +1  176.2372201 +1     1     2     3
  H     1.35119002 +1  106.2987248 +1  132.2756976 +1     2     1     3
  H     1.35115468 +1  106.0260360 +1  102.0559206 +1     2     1     6
  H     1.34980561 +1  124.5724064 +1  -87.2387338 +1     3     1     2
  H     1.34463044 +1  138.3499039 +1 -172.2164303 +1     3     1     8
  H     1.34245938 +1  112.5850648 +1  119.0787234 +1     4     1     2
  H     1.33718785 +1  118.3443062 +1  131.2787026 +1     4     1    10
  H     1.35053787 +1  107.9246835 +1  -48.9435696 +1     5     1     2
  H     1.35096197 +1  107.4757949 +1  102.5446828 +1     5     1    12