Accuracy

cis-pt(pme2ph)2cl2   7744 cis-Pt(PMe2Ph)2Cl2

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    #  Species Formula
  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
  7740 Pt(II)P2Cl2 (CDCPPT10) (Geo)C6H18P2Cl2Pt
  7741 Pt(PMe3)2Cl2 (cis) (Geo)C6H18P2Cl2Pt
  7742 cis-Pt(PEt3)2Cl2C12H30P2Cl2Pt
  7743 trans-Pt(PEt3)2Cl2C12H30P2Cl2Pt
  7744 cis-Pt(PMe2Ph)2Cl2 C17H24P2Cl2Pt
  7745 Pt(C2)Cl3(-) (XIVSOK) (Zeise's salt) (Geo)C2H4Cl3Pt
  7746 Pt(C2)Cl3(-) (XIVSOK) (Zeise's salt)C2H4Cl3Pt
  7747 Pt(II)Cl3N(-) (APTCPT) (Geo)C7H9NCl3Pt
  7748 Pt(II)Cl3N(-) (APTCPT)C7H9NCl3Pt
  7749 Pt(IV)Cl3CN2 (CEFJAY) (Geo)C12H19N2Cl3Pt
  7750 Pt(IV)Cl3CN2 (CEFJAY)C12H19N2Cl3Pt
  7751 Pt(IV)N3Cl3(+) (ENTAPT) (Geo)C4H13N3Cl3Pt
  7752 Pt(IV)N3Cl3(+) (ENTAPT)C4H13N3Cl3Pt
  7753 mer-(NH3)2-Cl3-(N-pyridonato) platinum (Geo)C5H10N3OCl3Pt
  7754 Pt(II)Cl4(2-) (CULZIS) (Geo)Cl4Pt


ΔHf: -22.7 kcal/mol,     REF: D. Takhin and H. A. Skinner, J. Chem. Soc., Dalton Trans., 2323 (1983).
  
 SHIFT=80 PULAY PM7
cis-Pt(PMe2Ph)2Cl2
 H=-22.7 HR=TS1983
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.31947479 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.31866886 +1   81.4504174 +1    0.0000000 +0     1     2     0
  P     2.36143647 +1   89.7371547 +1  179.6861851 +1     1     2     3
  P     2.36366240 +1   91.1281260 +1  179.7321198 +1     1     3     2
  C     1.83211189 +1  111.0048183 +1   29.8093888 +1     4     1     2
  C     1.83636632 +1  111.7621205 +1  -87.5101542 +1     4     1     2
  C     1.84709407 +1  118.4414128 +1  148.1442678 +1     4     1     2
  C     1.87449599 +1  118.4947107 +1  115.3254286 +1     5     1     3
  C     1.84037533 +1  110.7289308 +1   -1.3581886 +1     5     1     3
  C     1.84553114 +1  114.4666479 +1 -115.8270327 +1     5     1     3
  H     1.12506269 +1  111.3255545 +1  -63.9997681 +1     6     4     1
  H     1.11977914 +1  112.2251880 +1   53.0454035 +1     6     4     1
  H     1.11094544 +1  113.8401597 +1  175.0686202 +1     6     4     1
  H     1.12470917 +1  110.1965485 +1   56.0005368 +1     7     4     1
  H     1.11487285 +1  112.9478204 +1  -61.9454732 +1     7     4     1
  H     1.11211714 +1  113.5052948 +1  175.4123746 +1     7     4     1
  H     1.12753124 +1  108.0646655 +1 -161.8966460 +1     9     5     1
  H     1.13263949 +1  107.4101967 +1  -49.2701262 +1     9     5     1
  C     1.53854139 +1  120.4638323 +1   74.4027670 +1     9     5     1
  H     1.12356419 +1  111.6768191 +1  -56.8236359 +1    10     5     1
  H     1.12170327 +1  111.9693063 +1   60.0240414 +1    10     5     1
  H     1.10968737 +1  113.9527143 +1 -177.6814075 +1    10     5     1
  H     1.09990337 +1  109.5121195 +1  159.7030363 +1    20     9     5
  H     1.09956255 +1  114.7499255 +1   40.8137722 +1    20     9     5
  H     1.09726644 +1  112.5413820 +1  -82.7173481 +1    20     9     5
  C     1.40727377 +1  118.6974546 +1  -62.3293963 +1     8     4     1
  C     1.39317712 +1  120.2841652 +1 -178.4378575 +1    27     8     4
  C     1.39217608 +1  120.5528418 +1   -0.5113964 +1    28    27     8
  C     1.39079491 +1  119.5367931 +1    0.3205491 +1    29    28    27
  C     1.40265700 +1  122.5439081 +1  119.2049147 +1     8     4     1
  H     1.09893560 +1  122.5835196 +1    1.9096303 +1    27     8     4
  H     1.08969516 +1  119.6156942 +1 -179.9304913 +1    28    27     8
  H     1.08900756 +1  120.1867470 +1 -179.6551875 +1    29    28    27
  H     1.08879702 +1  119.8939732 +1  179.8812066 +1    30    29    28
  H     1.09409716 +1  122.7654211 +1   -0.4112054 +1    31     8     4
  C     1.40215784 +1  123.1064640 +1 -147.0167324 +1    11     5     1
  C     1.39516287 +1  120.2223071 +1 -175.6061325 +1    37    11     5
  C     1.39165537 +1  120.3985186 +1    0.3979419 +1    38    37    11
  C     1.39253884 +1  119.7206799 +1   -0.8488153 +1    39    38    37
  C     1.39328869 +1  120.4941273 +1    0.3746329 +1    40    39    38
  H     1.09403031 +1  122.6897354 +1    4.1680584 +1    37    11     5
  H     1.08831466 +1  119.5998247 +1  179.9525011 +1    38    37    11
  H     1.08892686 +1  120.0252647 +1  179.1540958 +1    39    38    37
  H     1.08953452 +1  119.8421910 +1 -179.8894449 +1    40    39    38
  H     1.10412612 +1  117.6495555 +1 -179.6087115 +1    41    40    39