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

cis-pt(pet3)2cl(2-tol)   7714 cis-Pt(PEt3)2Cl(2-Tol)

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    #  Species Formula
  7704 Platinum(cyclooctadiene) maleonitriledithiolatoC12H12N2S2Pt
  7705 Pt(Cyclo-octadiene) maleonitriledithiolato (Geo)C12H12N2S2Pt
  7706 cis-Pt(PEt3)2(SEt)2C16H40P2S2Pt
  7707 Pt(III)S4(-) (BEKSIT) (Geo)C8N4S4Pt
  7708 Pt(III)S4(-) (BEKSIT)C8N4S4Pt
  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


ΔHf: -75.5 kcal/mol,     REF: D. Takhin and H. A. Skinner, J. Chem. Soc., Dalton Trans., 371 (1984).
  
 UHF SHIFT=10 PM7
cis-Pt(PEt3)2Cl(2-Tol)
 H=-75.5 HR=TS1984
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.28057044 +1    0.0000000 +0    0.0000000 +0     1     0     0
  P     2.32376354 +1  166.6145820 +0    0.0000000 +0     1     2     0
  P     4.38841484 +1   92.2240160 +0   52.9712989 +1     1     2     3
  C     1.87222882 +1  116.3218633 +1  133.9037734 +1     3     1     2
  C     1.85418034 +1  115.4893483 +1   10.9957388 +1     3     1     2
  C     1.88294679 +1  110.6819214 +1 -108.4076417 +1     3     1     2
  C     1.93114449 +1   77.4885350 +1  -60.3603175 +1     4     1     2
  C     1.92554102 +1  179.9982117 +1  -96.5935991 +1     4     1     2
  C     1.93029771 +1   76.4810072 +1   48.8855877 +1     4     1     2
  C     1.54092850 +1  117.4016449 +1  -61.2171538 +1     5     3     1
  H     1.13042307 +1  108.3254862 +1   60.9711979 +1     5     3     1
  H     1.12445619 +1  109.6728067 +1  175.0805624 +1     5     3     1
  H     1.12935945 +1  109.1163462 +1   75.8298209 +1     6     3     1
  C     1.54179241 +1  117.7466453 +1  -48.2759797 +1     6     3     1
  H     1.12801216 +1  109.1648561 +1 -171.6925762 +1     6     3     1
  C     1.53855106 +1  119.0373270 +1 -178.7438087 +1     7     3     1
  H     1.12932472 +1  107.9338349 +1   57.8233435 +1     7     3     1
  H     1.12965761 +1  108.4765781 +1  -55.0362568 +1     7     3     1
  H     1.12178200 +1  109.6948699 +1  145.4377754 +1     8     4     1
  H     1.12359635 +1  107.6079417 +1 -100.0304243 +1     8     4     1
  C     1.53456591 +1  116.4037894 +1   22.4802074 +1     8     4     1
  H     1.12563144 +1  107.7254912 +1  -29.6100606 +1     9     4     1
  C     1.53634607 +1  119.1118097 +1   94.4275349 +1     9     4     1
  H     1.12664237 +1  107.3257032 +1 -142.0586392 +1     9     4     1
  C     1.53664628 +1  116.0001926 +1   32.0910692 +1    10     4     1
  H     1.12180085 +1  108.5224580 +1  154.2177118 +1    10     4     1
  H     1.12290086 +1  109.4482357 +1  -90.8302373 +1    10     4     1
  H     1.10112289 +1  109.4400143 +1  179.2200579 +1    24     9     4
  H     1.09869613 +1  113.5013561 +1   60.7645671 +1    24     9     4
  H     1.09841035 +1  113.5907946 +1  -62.2828990 +1    24     9     4
  H     1.09988087 +1  109.6689554 +1 -177.1754161 +1    22     8     4
  H     1.10348558 +1  113.5030833 +1   64.7818333 +1    22     8     4
  H     1.10514132 +1  114.3101899 +1  -57.8400063 +1    22     8     4
  H     1.12092891 +1  114.0424726 +1  -45.7622166 +1    26    10     4
  H     1.09951371 +1  109.5747980 +1 -163.1891641 +1    26    10     4
  H     1.09507182 +1  112.8728103 +1   77.1175697 +1    26    10     4
  H     1.10090959 +1  109.3000734 +1 -178.9787212 +1    17     7     3
  H     1.09782876 +1  113.5921324 +1   62.8528416 +1    17     7     3
  H     1.09788565 +1  113.6721375 +1  -60.6789448 +1    17     7     3
  H     1.09880046 +1  109.4720623 +1  172.8452674 +1    11     5     3
  H     1.10227989 +1  113.7609032 +1   54.0494483 +1    11     5     3
  H     1.09852037 +1  113.3485616 +1  -68.7044061 +1    11     5     3
  H     1.09976312 +1  109.1738172 +1  174.6946131 +1    15     6     3
  H     1.10176589 +1  113.8633755 +1   56.3181864 +1    15     6     3
  H     1.09844557 +1  113.3180287 +1  -66.7999196 +1    15     6     3
  C     1.98495598 +1  101.2421364 +1 -169.0326062 +1     1     2     3
  C     1.40324792 +1  122.1150446 +1   84.5545865 +1    47     1     2
  C     1.39571680 +1  119.0916200 +1  178.4830421 +1    48    47     1
  C     1.39259365 +1  120.8505115 +1    0.6533541 +1    49    48    47
  C     1.39417339 +1  119.7457712 +1    1.1609108 +1    50    49    48
  C     1.39878287 +1  117.8971952 +1  -94.6463433 +1    47     1     2
  C     1.48999889 +1  121.5021973 +1   -2.9013834 +1    48    47     1
  H     1.08835941 +1  119.5103996 +1 -179.8712945 +1    49    48    47
  H     1.08577014 +1  120.0597923 +1 -179.7093789 +1    50    49    48
  H     1.08762917 +1  119.8742679 +1  178.3278259 +1    51    50    49
  H     1.09053141 +1  119.8723489 +1    2.3656622 +1    52    47     1
  H     1.11190724 +1  111.4045468 +1   -9.2580648 +1    53    48    47
  H     1.09931617 +1  111.3870490 +1 -127.4862435 +1    53    48    47
  H     1.09488897 +1  112.3508745 +1  112.0691410 +1    53    48    47