Accuracy

Pt(III)S4(-) (BEKSIT)   7707 Pt(III)S4(-) (BEKSIT)

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    #  Species Formula
  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) maleonitriledithiolatoC12H12N2S2Pt
  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
  7714 Pt(II)C4Cl2 (BOFTEV) (Geo)C4H8Cl2Pt
  7715 Pt(II)C4Cl2 (BOFTEV)C4H8Cl2Pt
  7716 Pt(cyclooctadiene)Cl2C8H12Cl2Pt
  7717 Pt(II)Cl2NC2 (ETDMAX) (Geo)C4H9NCl2Pt


ΔHf: 122.3 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.
  
 CHARGE=-1 UHF PM7
Pt(III)S4(-) (BEKSIT)
 H=122.3 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.30779558 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.28960229 +1   86.9155806 +1    0.0000000 +0     1     2     0
  C     1.71879914 +1  104.8813770 +1    0.0857377 +1     2     1     3
  C     1.37457084 +1  121.4413594 +1   -0.0845899 +1     4     2     1
  C     1.40867462 +1  115.0529331 +1 -179.9783418 +1     4     2     5
  C     1.40934134 +1  123.4973347 +1 -179.9767190 +1     5     4     2
  N     1.16004204 +1  143.2830215 +1  179.9916573 +1     6     2     4
  N     1.15982206 +1  152.7505702 +1  179.9942762 +1     7     4     5
  S     2.28441763 +1   93.4987240 +1 -179.8431488 +1     1     3     2
  S     2.24949566 +1   93.4625435 +1 -179.8264632 +1     1     2     4
  C     1.68638018 +1  106.0900922 +1 -179.8573587 +1    10     1     3
  C     1.38860781 +1  120.5660412 +1   -0.0775729 +1    12    10     1
  C     1.40898486 +1  116.6961749 +1 -179.8361351 +1    12    10    13
  C     1.40752159 +1  122.9881794 +1 -179.8658800 +1    13    12    10
  N     1.15972217 +1  144.6361319 +1 -179.9726839 +1    14    10    12
  N     1.15991388 +1  152.2215089 +1 -179.9243983 +1    15    12    13