Accuracy

Pt(IV)Cl3CN2 (CEFJAY)   7750 Pt(IV)Cl3CN2 (CEFJAY)

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  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)2Cl2C17H24P2Cl2Pt
  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
  7755 Pt(II)Cl4(2-) (CULZIS)Cl4Pt
  7756 Pt(II)N4 (BOHWOK) (Geo)C4H2N4O4Cl4Pt
  7757 Pt(II)N4 (BOHWOK)C4H2N4O4Cl4Pt
  7758 cis-Pt(PEt3)2Cl4C12H30P2Cl4Pt
  7759 Pt(IV)Cl6(2-) (DEFVUF) (Geo)Cl6Pt
  7760 Pt(IV)Cl6(2-) (DEFVUF)Cl6Pt


ΔHf: -22.9 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(IV)Cl3CN2 (CEFJAY)
 H=-22.9 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.07130418 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.07121870 +1  167.5843655 +1    0.0000000 +0     1     2     0
 Cl     2.31655062 +1   96.2333252 +1  178.8966749 +1     1     2     3
 Cl     2.29342151 +1   93.9152490 +1   91.5891732 +1     1     2     4
 Cl     2.29386968 +1   85.8439164 +1  177.8013478 +1     1     2     5
  C     1.90585247 +1   83.7928753 +1  -89.3694158 +1     1     2     6
  C     1.38855954 +1  118.4437286 +1   10.0065575 +1     7     1     2
  C     1.38918186 +1  118.5484051 +1 -179.6841406 +1     8     7     1
  C     1.40063423 +1  118.9162517 +1   -0.6331768 +1     9     8     7
  C     1.40062669 +1  121.9109013 +1    0.2645745 +1    10     9     8
  C     1.38922030 +1  118.8984632 +1    0.3384926 +1    11    10     9
  C     1.50673082 +1  114.2492831 +1 -177.3363809 +1     8     7     9
  C     1.54438412 +1  107.4141781 +1  -20.7123966 +1     3     1     2
  C     1.50028118 +1  112.3890095 +1   99.4628759 +1     2     1     3
  C     1.49840640 +1  114.7962680 +1  121.5628780 +1     2     1    15
  C     1.50017025 +1  112.5253933 +1  117.8720278 +1     3     1    14
  C     1.49844361 +1  114.6944956 +1  121.6313846 +1     3     1    17
  H     1.08610252 +1  121.2241276 +1 -179.6624343 +1     9     8    10
  H     1.08770504 +1  119.0328500 +1 -179.9997231 +1    10     9    11
  H     1.08607131 +1  119.8822378 +1  179.6549647 +1    11    10    12
  H     1.10619449 +1  111.8686139 +1 -143.1971502 +1    13     8     7
  H     1.11646356 +1  108.6728261 +1 -117.2715428 +1    13     8    22
  H     1.10610360 +1  110.7752660 +1  149.8892066 +1    14     3     1
  H     1.11650634 +1  108.7845276 +1  116.7039433 +1    14     3    24
  H     1.10596981 +1  110.8519828 +1  -63.6047105 +1    15     2     1
  H     1.10817205 +1  110.0035788 +1  119.6222687 +1    15     2    26
  H     1.09890967 +1  113.1232164 +1  120.1306658 +1    15     2    27
  H     1.10491940 +1  111.9960942 +1   61.9892262 +1    16     2     1
  H     1.10922457 +1  109.7825514 +1 -118.4137828 +1    16     2    29
  H     1.09825588 +1  113.0504606 +1 -120.5003160 +1    16     2    30
  H     1.10580057 +1  110.8833130 +1  -63.5579760 +1    17     3     1
  H     1.09901665 +1  113.0699092 +1 -120.2991439 +1    17     3    32
  H     1.10825521 +1  110.0197743 +1 -120.0099934 +1    17     3    33
  H     1.09816840 +1  113.0726825 +1 -177.6536164 +1    18     3     1
  H     1.10493816 +1  111.9278895 +1 -121.1521822 +1    18     3    35
  H     1.10917932 +1  109.8104469 +1 -118.3724647 +1    18     3    36