Accuracy

platinum(cyclooctadiene) maleonitriledithiolato   7703 Platinum(cyclooctadiene) maleonitriledithiolato

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    #  Species Formula
  7693 Platinum F (Geo)F2Pt
  7694 Platinum(IV) oxide difluorideOF2Pt
  7695 Platinum(IV) oxide difluoride (Geo)OF2Pt
  7696 cis-Pt(PEt3)2(CH3)2C14H36P2Pt
  7697 cis-Pt(PEt3)2(2-Tol)2C26H44P2Pt
  7698 trans-Pt(PPh3)(C2H5)(benzoyl) (Geo)C45H40OP2Pt
  7699 Oxalato-bis(trimethylphosphine) platinum (Geo)C8H18O4P2Pt
  7700 Pt(PMe3)2F2 (cis) (Geo)C6H18F2P2Pt
  7701 cis-Pt(SMe2)2(C6H5)2 (Geo)C16H22S2Pt
  7702 Platinum(cyclooctadiene) maleonitriledithiolato (Geo)C12H12N2S2Pt
  7703 Platinum(cyclooctadiene) maleonitriledithiolato C12H12N2S2Pt
  7704 Pt(Cyclo-octadiene) maleonitriledithiolato (Geo)C12H12N2S2Pt
  7705 cis-Pt(PEt3)2(SEt)2C16H40P2S2Pt
  7706 Pt(III)S4(-) (BEKSIT) (Geo)C8N4S4Pt
  7707 Pt(III)S4(-) (BEKSIT)C8N4S4Pt
  7708 Methyl platinum(II) chlorideCH3ClPt
  7709 Methyl platinum(II) chloride (Geo)CH3ClPt
  7710 Pt(II)N2ClO (ACHGLP10) (Geo)C2H7N2O2ClPt
  7711 Pt(II)N2ClO (ACHGLP10)C2H7N2O2ClPt
  7712 cis-Pt(PEt3)2Cl(CH3)C13H33P2ClPt
  7713 cis-Pt(PEt3)2Cl(2-Tol)C19H37P2ClPt


ΔHf: 115.8 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.
  
 PM7
Platinum(cyclooctadiene) maleonitriledithiolato
 H=115.8 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.27930567 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.27868183 +1   88.4654305 +1    0.0000000 +0     1     2     0
  C     2.15206129 +1   91.7547047 +1  158.8978383 +1     1     2     3
  C     1.42546399 +1   70.9465792 +1   94.4414805 +1     4     1     2
  C     2.15263878 +1  158.9421342 +1  110.0804438 +1     1     2     4
  C     1.42539040 +1   70.9357827 +1 -175.2074707 +1     6     1     2
  N     3.64535001 +1  144.5349667 +1   -0.3520091 +1     2     1     3
  N     3.64616612 +1  144.5228392 +1   -0.8224393 +1     3     1     2
  C     1.75183588 +1  104.3043022 +1    0.2829520 +1     2     1     8
  C     1.35119240 +1  121.4508108 +1    0.5889523 +1    10     2     1
  C     1.15778458 +1   26.3381086 +1    0.4368397 +1     8     2     1
  C     1.15782420 +1   26.3061653 +1    0.8339769 +1     9     3     1
  C     1.50932379 +1  122.2071940 +1  108.4755753 +1     5     4     1
  C     1.50683234 +1  113.1809287 +1  119.4448500 +1     6     1     7
  C     1.50931535 +1  122.2175548 +1  108.4609467 +1     7     6     1
  C     1.50687456 +1  113.1601724 +1  119.4519464 +1     4     1     5
  H     1.09915912 +1  111.7233748 +1  126.3917437 +1     4     1    17
  H     1.09701033 +1  118.9439971 +1  148.2998082 +1     5     4    14
  H     1.10838006 +1  110.2601634 +1   31.6766591 +1    14     5     4
  H     1.10866645 +1  110.3371853 +1  114.4456850 +1    14     5    20
  H     1.10892881 +1  109.9062144 +1 -152.4970692 +1    15     6     1
  H     1.11118230 +1  109.6397064 +1 -114.5309402 +1    15     6    22
  H     1.09919326 +1  111.6961081 +1  126.3995537 +1     6     1    15
  H     1.09697516 +1  118.9577156 +1  148.3450130 +1     7     6    16
  H     1.10840074 +1  110.2705829 +1   31.6938522 +1    16     7     6
  H     1.10865656 +1  110.3374703 +1  114.4631426 +1    16     7    26
  H     1.11119213 +1  109.6267269 +1   92.9376029 +1    17     4     1
  H     1.10893308 +1  109.8996915 +1  114.5164323 +1    17     4    28