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

Pt(II)Cl2NC2 (ETDMAX)   7719 Pt(II)Cl2NC2 (ETDMAX)

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    #  Species Formula
  7709 Methyl platinum(II) chlorideCH3ClPt
  7710 Methyl platinum(II) chloride (Geo)CH3ClPt
  7711 Pt(II)N2ClO (ACHGLP10) (Geo)C2H7N2O2ClPt
  7712 Pt(II)N2ClO (ACHGLP10)C2H7N2O2ClPt
  7713 cis-Pt(PEt3)2Cl(CH3)C13H33P2ClPt
  7714 cis-Pt(PEt3)2Cl(2-Tol)C19H37P2ClPt
  7715 Pt(II)C4Cl2 (BOFTEV) (Geo)C4H8Cl2Pt
  7716 Pt(II)C4Cl2 (BOFTEV)C4H8Cl2Pt
  7717 Pt(cyclooctadiene)Cl2C8H12Cl2Pt
  7718 Pt(II)Cl2NC2 (ETDMAX) (Geo)C4H9NCl2Pt
  7719 Pt(II)Cl2NC2 (ETDMAX) C4H9NCl2Pt
  7720 Cis-Pt(NH3)2Cl2H6N2Cl2Pt
  7721 Pt(II)N2Cl2 (CUKRAB) (Geo)H6N2Cl2Pt
  7722 Pt(II)N2Cl2 (CUKRAB)H6N2Cl2Pt
  7723 Cis-Pt(NH2C2H4NH2)2Cl2C2H8N2Cl2Pt
  7724 Pt(II)Cl2N2 (CCENPT) (Geo)C2H8N2Cl2Pt
  7725 Pt(II)Cl2N2 (CCENPT)C2H8N2Cl2Pt
  7726 Cis-Pt(NH2Me)2Cl2C2H10N2Cl2Pt
  7727 Cis-Pt(NH2-i-Pr)2Cl2C6H18N2Cl2Pt
  7728 Cis-Pt(NH2Bu)2Cl2C8H22N2Cl2Pt
  7729 Pt(2,2'-Bipyridyl)Cl2 (Geo)C10H8N2Cl2Pt


ΔHf: 15.4 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 PM7
Pt(II)Cl2NC2 (ETDMAX)
 H=15.4 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.09610534 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.06071156 +1  164.2781821 +1    0.0000000 +0     1     2     0
  C     1.26977008 +1   72.1588785 +1 -179.9025809 +1     2     1     3
  C     1.49778675 +1  112.8367425 +1  -66.4928770 +1     3     1     2
  H     2.13359226 +1   91.0879699 +1  145.3452856 +1     3     1     5
  H     1.79293007 +1   66.5260171 +1 -170.9078859 +1     6     3     1
  H     1.77606393 +1   59.8759551 +1   75.4556194 +1     7     6     3
  H     1.04451082 +1  131.1699828 +1  179.9439537 +1     2     1     4
  H     1.04447880 +1  107.3736234 +1   97.0297755 +1     3     1     6
  H     1.04531468 +1  156.3090618 +1 -179.8386176 +1     4     2     1
  H     1.10700476 +1  109.0298900 +1  -48.1162757 +1     5     3     1
  H     1.10476851 +1  111.5320723 +1  118.1829472 +1     5     3    12
  H     1.09849898 +1  112.7245410 +1  121.1416069 +1     5     3    13
 Cl     2.27912571 +1   79.0064839 +1   -3.4104864 +1     1     2     3
 Cl     2.28849539 +1  114.1966554 +1  179.7147165 +1     1     2    15
  C     1.09825707 +1   35.8157055 +1  -38.1594759 +1     7     6     8