Accuracy

Pt(IV)N3Cl3(plus) (ENTAPT)   7752 Pt(IV)N3Cl3(+) (ENTAPT)

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    #  Species Formula
  7742 cis-Pt(PEt3)2Cl2C12H30P2Cl2Pt
  7743 trans-Pt(PEt3)2Cl2C12H30P2Cl2Pt
  7744 cis-Pt(PMe2Ph)2Cl2C17H24P2Cl2Pt
  7745 Pt(C2)Cl3(-) (XIVSOK) (Zeise's salt) (Geo)C2H4Cl3Pt
  7746 Pt(C2)Cl3(-) (XIVSOK) (Zeise's salt)C2H4Cl3Pt
  7747 Pt(II)Cl3N(-) (APTCPT) (Geo)C7H9NCl3Pt
  7748 Pt(II)Cl3N(-) (APTCPT)C7H9NCl3Pt
  7749 Pt(IV)Cl3CN2 (CEFJAY) (Geo)C12H19N2Cl3Pt
  7750 Pt(IV)Cl3CN2 (CEFJAY)C12H19N2Cl3Pt
  7751 Pt(IV)N3Cl3(+) (ENTAPT) (Geo)C4H13N3Cl3Pt
  7752 Pt(IV)N3Cl3(+) (ENTAPT) C4H13N3Cl3Pt
  7753 mer-(NH3)2-Cl3-(N-pyridonato) platinum (Geo)C5H10N3OCl3Pt
  7754 Pt(II)Cl4(2-) (CULZIS) (Geo)Cl4Pt
  7755 Pt(II)Cl4(2-) (CULZIS)Cl4Pt
  7756 Pt(II)N4 (BOHWOK) (Geo)C4H2N4O4Cl4Pt
  7757 Pt(II)N4 (BOHWOK)C4H2N4O4Cl4Pt
  7758 cis-Pt(PEt3)2Cl4C12H30P2Cl4Pt
  7759 Pt(IV)Cl6(2-) (DEFVUF) (Geo)Cl6Pt
  7760 Pt(IV)Cl6(2-) (DEFVUF)Cl6Pt
  7761 Methyl platinum(II) bromideCH3BrPt
  7762 Methyl platinum(II) bromide (Geo)CH3BrPt


ΔHf: 94.6 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.
  
 UHF CHARGE=1 PM7
Pt(IV)N3Cl3(+) (ENTAPT)
 H=94.6 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.25056004 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.24589050 +1   92.1429716 +1    0.0000000 +0     1     2     0
  N     2.08305520 +1   92.4846271 +1  175.0890823 +1     1     2     3
  N     2.09075713 +1   83.7878714 +1  -83.5592916 +1     1     2     4
  C     1.51005226 +1  107.4380529 +1   69.3870345 +1     5     1     2
  C     1.53925178 +1  109.8474870 +1   42.6403729 +1     6     5     1
  C     1.50784496 +1  106.9159034 +1  156.7844554 +1     4     1     2
  C     1.54014049 +1  109.9761962 +1   43.3980682 +1     8     4     1
  N     1.51272012 +1  109.6627803 +1  -47.5132309 +1     9     8     4
  H     1.03672429 +1  111.8284308 +1 -119.2474734 +1     5     1     6
  H     1.02186855 +1  113.8216941 +1 -119.0631744 +1     5     1    11
  H     1.12057369 +1  109.2632672 +1 -122.0267991 +1     6     5     7
  H     1.11329344 +1  111.9315283 +1 -115.6735623 +1     6     5    13
  H     1.11576183 +1  109.2418525 +1 -165.5351646 +1     7     6     5
  H     1.11106921 +1  110.4309390 +1 -115.0386463 +1     7     6    15
  H     1.04125442 +1  111.5493261 +1 -118.5564199 +1     4     1     8
  H     1.12172190 +1  108.4825810 +1 -121.5044227 +1     8     4     9
  H     1.11259944 +1  112.4940543 +1 -115.3915990 +1     8     4    18
  H     1.11629321 +1  109.4120481 +1 -122.1740791 +1     9     8    10
  H     1.11072790 +1  111.4496466 +1 -116.1196376 +1     9     8    20
  H     1.03807858 +1  108.7638757 +1  -93.2842143 +1    10     9     8
  H     1.02600018 +1  109.3792937 +1 -113.6303019 +1    10     9    22
 Cl     2.25179482 +1   96.0442028 +1  176.2339425 +1     1     2     5