Accuracy

pt(cyclooctadiene)cl2   7716 Pt(cyclooctadiene)Cl2

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    #  Species Formula
  7706 Pt(III)S4(-) (BEKSIT) (Geo)C8N4S4Pt
  7707 Pt(III)S4(-) (BEKSIT)C8N4S4Pt
  7708 Methyl platinum(II) chlorideCH3ClPt
  7709 Methyl platinum(II) chloride (Geo)CH3ClPt
  7710 Pt(II)N2ClO (ACHGLP10) (Geo)C2H7N2O2ClPt
  7711 Pt(II)N2ClO (ACHGLP10)C2H7N2O2ClPt
  7712 cis-Pt(PEt3)2Cl(CH3)C13H33P2ClPt
  7713 cis-Pt(PEt3)2Cl(2-Tol)C19H37P2ClPt
  7714 Pt(II)C4Cl2 (BOFTEV) (Geo)C4H8Cl2Pt
  7715 Pt(II)C4Cl2 (BOFTEV)C4H8Cl2Pt
  7716 Pt(cyclooctadiene)Cl2 C8H12Cl2Pt
  7717 Pt(II)Cl2NC2 (ETDMAX) (Geo)C4H9NCl2Pt
  7718 Pt(II)Cl2NC2 (ETDMAX)C4H9NCl2Pt
  7719 Cis-Pt(NH3)2Cl2H6N2Cl2Pt
  7720 Pt(II)N2Cl2 (CUKRAB) (Geo)H6N2Cl2Pt
  7721 Pt(II)N2Cl2 (CUKRAB)H6N2Cl2Pt
  7722 Cis-Pt(NH2C2H4NH2)2Cl2C2H8N2Cl2Pt
  7723 Pt(II)Cl2N2 (CCENPT) (Geo)C2H8N2Cl2Pt
  7724 Pt(II)Cl2N2 (CCENPT)C2H8N2Cl2Pt
  7725 Cis-Pt(NH2Me)2Cl2C2H10N2Cl2Pt
  7726 Cis-Pt(NH2-i-Pr)2Cl2C6H18N2Cl2Pt


ΔHf: -18.5 kcal/mol,     REF: D. Takhin and H. A. Skinner, J. Chem. Soc., Dalton Trans., 371 (1984).
  
 SHIFT=10 PULAY UHF PM7
Pt(cyclooctadiene)Cl2
 H=-18.5 HR=TS1984
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.24248635 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.24221041 +1   91.0695509 +1    0.0000000 +0     1     2     0
  C     2.13282651 +1   89.1930723 +1  160.2433578 +1     1     2     3
  C     1.43014720 +1   70.7058053 +1   95.1546963 +1     4     1     2
  C     1.51023007 +1  122.1001109 +1  107.4061396 +1     5     4     1
  C     1.54119489 +1  112.3058030 +1  -91.2403173 +1     6     5     4
  C     1.50735788 +1  113.1570370 +1   24.6288119 +1     7     6     5
  C     1.43002168 +1  123.7205371 +1   53.2209226 +1     8     7     6
  C     1.50962024 +1  122.3536889 +1    2.4788885 +1     9     8     7
  C     1.50761907 +1  112.7220478 +1 -145.8002460 +1     4     1     2
  H     1.09971409 +1  112.0351829 +1  -18.6551610 +1     4     1     2
  H     1.09750310 +1  118.7165356 +1 -103.3409152 +1     5     4     1
  H     1.10843535 +1  110.2323434 +1   32.0849024 +1     6     5     4
  H     1.10839657 +1  110.2645437 +1  146.6653031 +1     6     5     4
  H     1.10887908 +1  109.9561723 +1  148.0576340 +1     7     6     5
  H     1.11106784 +1  109.1419781 +1  -97.5652130 +1     7     6     5
  H     1.10018489 +1  111.7169773 +1 -155.0792200 +1     8     7     6
  H     1.09781499 +1  118.5130611 +1  151.7926724 +1     9     8     7
  H     1.10859238 +1  110.1917338 +1   33.1320713 +1    10     9     8
  H     1.10910297 +1  110.1527214 +1  147.5959903 +1    10     9     8
  H     1.11104989 +1  109.4950417 +1   95.0559543 +1    11     4     1
  H     1.10898629 +1  110.0175346 +1 -150.4383214 +1    11     4     1