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

platinum(cyclooctadiene) maleonitriledithiolato r   7703 Platinum(cyclooctadiene) maleonitriledithiolato (Geo)

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    #  Species Formula
  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)2C26H44P2Pt
  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
  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


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.
  
 PM7
Platinum(cyclooctadiene) maleonitriledithiolato
 <Pt-S> <><> <Pt-C> GR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.33877300 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.28180558 +1   88.0389649 +1    0.0000000 +0     1     2     0
  C     2.25195600 +1   91.7218881 +1  159.7065026 +1     1     2     3
  C     1.40714816 +1   69.9439899 +1   94.6601269 +1     4     1     2
  C     2.14824882 +1  159.1347927 +1  107.1987793 +1     1     2     4
  C     1.42751159 +1   70.9227476 +1 -172.6288056 +1     6     1     2
  N     3.63846840 +1  143.6651953 +1   -0.4333207 +1     2     1     3
  N     3.63545233 +1  145.0753248 +1   -0.9021974 +1     3     1     2
  C     1.74892263 +1  103.2272182 +1    0.3646708 +1     2     1     8
  C     1.35175201 +1  121.9648759 +1    0.5900020 +1    10     2     1
  C     1.15776710 +1   26.4691807 +1    0.6315288 +1     8     2     1
  C     1.15796705 +1   26.4902632 +1    0.9936225 +1     9     3     1
  C     1.50919203 +1  122.3999928 +1  108.4888872 +1     5     4     1
  C     1.50677077 +1  113.3469842 +1  119.4757534 +1     6     1     7
  C     1.51016416 +1  122.1738542 +1  109.4066025 +1     7     6     1
  C     1.50189153 +1  110.8704784 +1  120.4389662 +1     4     1     5
  H     1.09730783 +1  108.5509368 +1  124.0162564 +1     4     1    17
  H     1.09730906 +1  119.4271491 +1  150.6583784 +1     5     4    14
  H     1.10843934 +1  110.2248428 +1   29.8221865 +1    14     5     4
  H     1.10923690 +1  110.0889688 +1  114.2444231 +1    14     5    20
  H     1.10904158 +1  109.8848774 +1 -154.4252585 +1    15     6     1
  H     1.11158962 +1  109.4914269 +1 -114.4888496 +1    15     6    22
  H     1.09909959 +1  111.4650288 +1  126.3498363 +1     6     1    15
  H     1.09707746 +1  118.8449953 +1  147.8599192 +1     7     6    16
  H     1.10873891 +1  110.0936626 +1   31.3213801 +1    16     7     6
  H     1.10926605 +1  110.1163705 +1  114.1579816 +1    16     7    26
  H     1.11187830 +1  109.6775652 +1   91.5062745 +1    17     4     1
  H     1.11007523 +1  109.7279690 +1  114.4229783 +1    17     4    28