Accuracy

Pt(II)Cl3N(-) (APTCPT)   7748 Pt(II)Cl3N(-) (APTCPT)

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    #  Species Formula
  7738 Pt(II)Cl2N2 (BALTIR) (Geo)C4H10N2O4Cl2Pt
  7739 Pt(II)Cl2N2 (BALTIR)C4H10N2O4Cl2Pt
  7740 Pt(II)P2Cl2 (CDCPPT10) (Geo)C6H18P2Cl2Pt
  7741 Pt(PMe3)2Cl2 (cis) (Geo)C6H18P2Cl2Pt
  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


ΔHf: -105.2 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=-1 UHF PM7
Pt(II)Cl3N(-) (APTCPT)
 H=-105.2 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.29398504 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.26652689 +1   92.6141105 +1    0.0000000 +0     1     2     0
  N     1.97523393 +1   87.4029947 +1 -179.9022503 +1     1     2     3
 Cl     2.29407714 +1   87.3092258 +1  179.9922236 +1     1     4     2
  C     2.44226233 +1   88.6250812 +1  -90.3254928 +1     4     1     2
  C     1.37444827 +1  121.5686636 +1    0.0551553 +1     4     1     6
  C     1.39689123 +1  122.6021351 +1  179.9814448 +1     7     4     1
  C     1.39082355 +1  119.7417341 +1   -0.0171133 +1     8     7     4
  C     1.39016268 +1  118.4774491 +1   -0.0062085 +1     9     8     7
  C     1.37352010 +1  121.6009313 +1  179.9622407 +1     4     1     7
  C     1.48999359 +1  116.9953106 +1   -0.0018450 +1    11     4     1
  H     1.11081811 +1   93.1996318 +1  -52.4719411 +1     6     4     1
  H     1.11108526 +1   92.8828249 +1  104.2687336 +1     6     4    13
  H     1.09001488 +1  143.5713115 +1  127.6832210 +1     6     4    14
  H     1.08430995 +1  119.8811780 +1 -179.9935715 +1     8     7     9
  H     1.08409728 +1  120.8008664 +1  179.9913836 +1     9     8    10
  H     1.08466593 +1  120.4470485 +1 -179.9945809 +1    10     9     8
  H     1.11104477 +1  110.6829623 +1   56.9479240 +1    12    11     4
  H     1.09022654 +1  113.4378229 +1  122.4703427 +1    12    11    19
  H     1.11069531 +1  110.6969410 +1  122.4669371 +1    12    11    20