Accuracy

pt(ii)(nh3)6r   7668 Pt(II)(NH3)6 (Geo)

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    #  Species Formula
  7658 Platinum, 1S(g) 5d(10)6s(0)Pt
  7659 Platinum, 3F(g) 5d(8)6s(2)Pt
  7660 Platinum, atomPt
  7661 Cyclopentadienyl trimethyl platinumC8H14Pt
  7662 Pt(IV)(Cp)C3 (CPMEPT01) (Geo)C8H14Pt
  7663 Pt(IV)(Cp)C3 (CPMEPT01)C8H14Pt
  7664 Pt(II)(NH3)4 (Geo)H12N4Pt
  7665 Pt(II)N4(2+) (APTCPT) (Geo)H12N4Pt
  7666 Pt(II)N4(2+) (APTCPT)H12N4Pt
  7667 Pt(II)(NH3)6H18N6Pt
  7668 Pt(II)(NH3)6 (Geo) H18N6Pt
  7669 Pt(II)N4(2+) (ACMPTC) (Geo)C4H22N6Pt
  7670 Pt(II)N4(2+) (ACMPTC)C4H22N6Pt
  7671 Pt(CO)4 (Geo)C4O4Pt
  7672 Pt(NH3)2(malonate) (Geo)C3H8N2O4Pt
  7673 Pt(II)N2O2 (CAGDUJ) (Geo)C5H6N2O4Pt
  7674 Pt(II)N2O2 (CAGDUJ)C5H6N2O4Pt
  7675 Pt(CH2(COO)2)(NH2C2H4NH2)C5H10N2O4Pt
  7676 Pt((COO)2CHEt)(NH3)2C5H12N2O4Pt
  7677 Cis-Pt(1,1-cbda)(NH3)2C6H12N2O4Pt
  7678 Pt(IV)N2O2C2 (BAVHIP) (Geo)C6H14N2O4Pt


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 PM7
Pt(II)(NH3)6
 <Pt-N> <Pt-N'> GR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.11555000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.55381600 +1  106.0567631 +1    0.0000000 +0     1     2     0
  N     2.04556549 +1   75.2766393 +1  179.9315722 +1     1     3     2
  N     4.30372735 +1   44.8974499 +1   94.8104594 +1     1     2     3
  N     2.04871281 +1   86.8658912 +1   14.4161918 +1     1     2     5
  H     1.02737386 +1  112.3081020 +1  -14.9180696 +1     6     1     2
  H     1.01584400 +1  113.0166885 +1 -119.3396667 +1     6     1     7
  H     1.01211513 +1  110.9794289 +1  -37.8578022 +1     5     1     2
  H     1.01205764 +1  109.8434411 +1 -116.7273527 +1     5     1     9
  H     1.02082187 +1  109.9231793 +1 -113.1744711 +1     4     1     5
  H     1.01345238 +1  113.2356662 +1  118.7396361 +1     4     1    11
  H     1.01334153 +1  127.4988697 +1  146.1813949 +1     3     1     2
  H     1.01311966 +1   70.1847069 +1  -96.4007422 +1     3     1    13
  H     1.01572169 +1  111.0632781 +1  145.7139377 +1     2     1     3
  H     1.01326176 +1  111.9791447 +1 -121.0206652 +1     2     1    15
  N     2.04940641 +1   92.3991607 +1  177.6908651 +1     1     2     6
  H     1.01603491 +1  112.2788228 +1 -115.1295732 +1    17     1     2
  H     1.02145524 +1  110.0522468 +1 -120.8729368 +1    17     1    18
  H     1.02319932 +1  111.5486458 +1 -119.3088915 +1     2     1    16
  H     1.01372635 +1  127.4815119 +1  -96.1814523 +1     3     1    14
  H     1.01679255 +1  112.1492591 +1  120.6518524 +1     4     1    12
  H     1.01300494 +1  116.3566100 +1 -121.2425986 +1     5     1    10
  H     1.01861404 +1  111.5497497 +1 -121.1721817 +1     6     1     8
  H     1.01316960 +1  113.0307905 +1 -118.6620355 +1    17     1    19