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

cis-pt(pet3)2(2-tol)2   7698 cis-Pt(PEt3)2(2-Tol)2

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    #  Species Formula
  7688 Pt(IV)O4N2 (BIPWIG) (Geo)C3H10N2O6Pt
  7689 Pt(IV)O4N2 (BIPWIG)C3H10N2O6Pt
  7690 Platinum EDTA (Geo)C10H12N2O8Pt
  7691 Platinum EDTAC10H12N2O8Pt
  7692 Methyl platinum(II) fluorideCH3FPt
  7693 Methyl platinum(II) fluoride (Geo)CH3FPt
  7694 Platinum F (Geo)F2Pt
  7695 Platinum(IV) oxide difluorideOF2Pt
  7696 Platinum(IV) oxide difluoride (Geo)OF2Pt
  7697 cis-Pt(PEt3)2(CH3)2C14H36P2Pt
  7698 cis-Pt(PEt3)2(2-Tol)2 C26H44P2Pt
  7699 trans-Pt(PPh3)(C2H5)(benzoyl) (Geo)C45H40OP2Pt
  7700 Oxalato-bis(trimethylphosphine) platinum (Geo)C8H18O4P2Pt
  7701 Pt(PMe3)2F2 (cis) (Geo)C6H18F2P2Pt
  7702 cis-Pt(SMe2)2(C6H5)2 (Geo)C16H22S2Pt
  7703 Platinum(cyclooctadiene) maleonitriledithiolato (Geo)C12H12N2S2Pt
  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


ΔHf: -34.9 kcal/mol,     REF: D. Takhin and H. A. Skinner, J. Chem. Soc., Dalton Trans., 371 (1984).
  
 UHF SHIFT=10 PULAY PM7
cis-Pt(PEt3)2(2-Tol)2
 H=-34.9 HR=TS1984
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.79874333 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Pt     1.99989636 +1   45.5839967 +1    0.0000000 +0     1     2     0
  P     2.47501608 +1   86.3357202 +1  179.5866332 +1     3     1     2
  P     2.48652540 +1  175.5042985 +1 -173.6787502 +1     3     1     4
  C     1.89152875 +1  110.5829513 +1  -98.9251842 +1     4     3     1
  C     1.89239354 +1  118.9416856 +1 -120.2319355 +1     4     3     6
  C     1.87812740 +1  111.3759104 +1 -121.4408652 +1     4     3     7
  C     1.89153444 +1  115.1634998 +1  123.3704305 +1     5     3     1
  C     1.87797064 +1  110.8925843 +1 -121.0399333 +1     5     3     9
  C     1.89012765 +1  114.1143770 +1 -118.3952190 +1     5     3    10
  C     1.53785981 +1  119.9714870 +1 -168.9422345 +1     6     4     3
  H     1.12700916 +1  108.5107933 +1  124.3170187 +1     6     4    12
  H     1.13144409 +1  107.1869934 +1  112.2093514 +1     6     4    13
  H     1.12243748 +1  109.6883148 +1   65.3531836 +1     7     4     3
  C     1.54156417 +1  116.0869433 +1 -123.7576186 +1     7     4    15
  H     1.12481410 +1  109.2740891 +1 -122.2307766 +1     7     4    16
  C     1.53656845 +1  120.3813877 +1  179.7501628 +1     8     4     3
  H     1.13345552 +1  107.6258441 +1 -124.2138236 +1     8     4    18
  H     1.13559086 +1  108.2434663 +1 -111.2678543 +1     8     4    19
  H     1.12968867 +1  107.3979890 +1  -64.2627424 +1     9     5     3
  H     1.12472659 +1  109.1303931 +1  113.3673944 +1     9     5    21
  C     1.54005930 +1  119.6222965 +1  123.3347356 +1     9     5    22
  H     1.13251940 +1  108.3833114 +1   58.7533878 +1    10     5     3
  C     1.53642141 +1  120.7986500 +1  125.3666791 +1    10     5    24
  H     1.13792434 +1  107.3172721 +1  123.4781818 +1    10     5    25
  C     1.54294455 +1  115.3407247 +1   50.6530424 +1    11     5     3
  H     1.12208348 +1  110.1389257 +1  123.1199928 +1    11     5    27
  H     1.12462170 +1  109.0685264 +1  114.6595694 +1    11     5    28
  H     1.10198090 +1  109.0506043 +1  174.4090316 +1    25    10     5
  H     1.09726595 +1  113.8020684 +1 -118.3320846 +1    25    10    30
  H     1.09743275 +1  113.3511725 +1 -123.6111250 +1    25    10    31
  H     1.09998748 +1  109.5191149 +1  178.2085620 +1    23     9     5
  H     1.09879005 +1  113.6201036 +1 -118.4568034 +1    23     9    33
  H     1.09731295 +1  113.4289227 +1 -122.8183918 +1    23     9    34
  H     1.09975025 +1  113.1054145 +1   67.8033298 +1    27    11     5
  H     1.10397267 +1  113.4914235 +1 -122.2167513 +1    27    11    36
  H     1.09767961 +1  109.4852630 +1 -119.3144223 +1    27    11    37
  H     1.10174531 +1  109.1128112 +1 -176.9365964 +1    18     8     4
  H     1.09782675 +1  113.3040064 +1 -117.9533680 +1    18     8    39
  H     1.09700897 +1  113.7976253 +1 -123.5387866 +1    18     8    40
  H     1.09700981 +1  113.5628686 +1   63.3381547 +1    12     6     4
  H     1.09860824 +1  113.5894714 +1 -122.9297359 +1    12     6    42
  H     1.10031012 +1  109.5294447 +1 -118.4091785 +1    12     6    43
  H     1.09827377 +1  109.5122072 +1  173.7926500 +1    16     7     4
  H     1.10150900 +1  114.0228072 +1 -119.4769776 +1    16     7    45
  C     1.40388661 +1  112.4755611 +1 -115.4281537 +1     2     1     3
  C     1.39479601 +1  120.7006130 +1 -129.9228799 +1    47     2     1
  C     1.39326047 +1  120.5830959 +1    0.0505635 +1    48    47     2
  C     1.39316484 +1  119.3270054 +1    0.7256134 +1    49    48    47
  C     1.39974540 +1  109.6983393 +1 -133.1869043 +1     2     1    47
  C     1.49605945 +1  121.0300022 +1  179.9252139 +1    47     2    48
  H     1.08637697 +1  119.8941084 +1  179.6355511 +1    48    47    49
  H     1.08379982 +1  120.2717761 +1  179.2334080 +1    49    48    50
  H     1.08573952 +1  119.8646850 +1  178.8188611 +1    50    49    48
  H     1.08798819 +1  119.1841604 +1  -47.8839206 +1    51     2     1
  H     1.10741880 +1  111.0324239 +1   -5.7177435 +1    52    47     2
  H     1.09756931 +1  111.0940633 +1 -118.8653189 +1    52    47    57
  H     1.09404391 +1  111.9117870 +1 -120.1968269 +1    52    47    58
  C     1.39946556 +1  110.2884364 +1  111.0131460 +1     1     2     3
  C     1.39096401 +1  121.6009844 +1  131.1270972 +1    60     1     2
  C     1.39300354 +1  119.9508741 +1   -0.1339863 +1    61    60     1
  C     1.39325747 +1  119.3313797 +1   -0.6971590 +1    62    61    60
  C     1.40407520 +1  111.9076304 +1  133.2851961 +1     1     2    60
  H     1.08797363 +1  119.3018502 +1 -178.8681379 +1    60     1    61
  H     1.08576083 +1  120.1942646 +1 -179.4775073 +1    61    60    62
  H     1.08379804 +1  120.4261506 +1 -179.2505380 +1    62    61    63
  H     1.08637162 +1  119.5131953 +1 -178.8641475 +1    63    62    61
  C     1.49620199 +1  121.0960952 +1   49.3420152 +1    64     1     2
  H     1.10750425 +1  111.0820966 +1   -1.4178115 +1    69    64     1
  H     1.09813756 +1  110.9080765 +1 -118.8029283 +1    69    64    70
  H     1.09391080 +1  112.0249420 +1 -120.1479078 +1    69    64    71
  H     1.09985708 +1  112.8019786 +1 -122.2992472 +1    16     7    46