Accuracy

cis-ptpy2cl2   7729 cis-Ptpy2Cl2

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    #  Species Formula
  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
  7727 Cis-Pt(NH2Bu)2Cl2C8H22N2Cl2Pt
  7728 Pt(2,2'-Bipyridyl)Cl2 (Geo)C10H8N2Cl2Pt
  7729 cis-Ptpy2Cl2 C10H10N2Cl2Pt
  7730 cis-Dichloro-bis(pyridine)-platinum (Geo)C10H10N2Cl2Pt
  7731 Pt(II)Cl2N2C2 (BHZEPT) (Geo)C8H16N4Cl2Pt
  7732 Pt(II)Cl2N2C2 (BHZEPT)C8H16N4Cl2Pt
  7733 Platinum(IV) oxide dichlorideOCl2Pt
  7734 Platinum(IV) oxide dichloride (Geo)OCl2Pt
  7735 Pt(II)N2Cl2 (CCAPGC10) (Geo)C2H8N2O2Cl2Pt
  7736 Pt(II)N2Cl2 (CCAPGC10)C2H8N2O2Cl2Pt
  7737 cis-Pt(IV)(glycyl)2Cl2 (Geo)C4H8N2O4Cl2Pt
  7738 Pt(II)Cl2N2 (BALTIR) (Geo)C4H10N2O4Cl2Pt
  7739 Pt(II)Cl2N2 (BALTIR)C4H10N2O4Cl2Pt


ΔHf: 35.8 kcal/mol,     REF: D. Takhin and H. A. Skinner, J. Chem. Soc., Dalton Trans., 2323 (1983).
  
 UHF PM7
cis-Ptpy2Cl2
 H=35.8 HR=TS1983
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.25426274 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.25407371 +1   97.1881681 +1    0.0000000 +0     1     2     0
  N     2.00192642 +1   84.4232616 +1 -179.7642585 +1     1     3     2
  C     1.36110025 +1  121.5883719 +1  106.6732254 +1     4     1     3
  C     1.39357726 +1  122.5693106 +1  179.4536126 +1     5     4     1
  C     1.39385097 +1  119.2487547 +1    0.8563681 +1     6     5     4
  C     1.39330658 +1  118.6929661 +1    0.2559998 +1     7     6     5
  C     1.39407558 +1  119.2639538 +1   -0.6139344 +1     8     7     6
  N     2.00248938 +1   84.4254104 +1 -179.8264578 +1     1     2     3
  C     1.36149264 +1  120.6326058 +1  -71.1014225 +1    10     1     2
  C     1.39424020 +1  122.5489669 +1  179.3696031 +1    11    10     1
  C     1.39322017 +1  119.2557964 +1    0.1361205 +1    12    11    10
  C     1.39403014 +1  118.6930185 +1   -0.5984660 +1    13    12    11
  C     1.39353271 +1  119.2505619 +1    0.1064679 +1    14    13    12
  H     1.08874992 +1  120.0831759 +1 -179.7329114 +1     6     5     4
  H     1.08904865 +1  120.6158795 +1  179.7598637 +1     7     6     5
  H     1.08912052 +1  120.6954029 +1  178.8211488 +1     8     7     6
  H     1.10267149 +1  121.6976145 +1  178.8016711 +1     9     8     7
  H     1.08907610 +1  120.0265857 +1 -179.3029589 +1    12    11    10
  H     1.08909833 +1  120.6756143 +1  179.8619018 +1    13    12    11
  H     1.08882527 +1  120.6481292 +1 -179.2749214 +1    14    13    12
  H     1.09959394 +1  121.5440747 +1 -177.9374540 +1    15    14    13
  H     1.10272881 +1  115.8138996 +1    0.5014180 +1    11    10     1
  H     1.09975369 +1  115.9111944 +1   -1.7574667 +1     5     4     1