Accuracy

Pt(IV)C2I2O2 (BIFCOI)   7785 Pt(IV)C2I2O2 (BIFCOI)

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    #  Species Formula
  7775 cis-Pt(NH3)2I2 (Geo)H6N2I2Pt
  7776 Pt(II)I2N2 (DIPYPT) (Geo)C10H10N2I2Pt
  7777 Pt(II)I2N2 (DIPYPT)C10H10N2I2Pt
  7778 Pt(IV)N4I2(2+) (BEVMAQ) (Geo)C4H16N4I2Pt
  7779 Pt(IV)N4I2(2+) (BEVMAQ)C4H16N4I2Pt
  7780 Platinum(IV) oxide diiodideOI2Pt
  7781 Platinum(IV) oxide diiodide (Geo)OI2Pt
  7782 Pt(II)I2N2 (CUPCAR) (Geo)C6H6N2O2I2Pt
  7783 Pt(II)I2N2 (CUPCAR)C6H6N2O2I2Pt
  7784 Pt(IV)C2I2O2 (BIFCOI) (Geo)C8H12O2I4Pt
  7785 Pt(IV)C2I2O2 (BIFCOI) C8H12O2I4Pt
  7786 Platinum(I) hydride, dimerH2Pt2
  7787 Pt2(Cp)2(CO)2 (Geo)C12H10O2Pt2
  7788 Pt(II)2Br6(2-) (ETABPT) (Geo)Br6Pt2
  7789 Pt(II)2Br6(2-) (ETABPT)Br6Pt2
  7790 Platinum tetramerPt4
  7791 Platinum tetramer (Geo)Pt4
  7792 Pt6Pt6
  7793 Pt6 (Geo)Pt6
  7794 Gold, cationAu
  7795 Gold, atomAu


ΔHf: 29.2 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)C2I2O2 (BIFCOI)
 H=29.2 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.61193173 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.37421462 +1   85.9015300 +1    0.0000000 +0     1     2     0
  C     1.97468041 +1   90.6783214 +1  179.6219988 +1     1     2     3
  I     3.02890079 +1  156.6558890 +1   79.5452078 +1     4     1     2
  O     2.37794486 +1   85.8690187 +1   75.6479036 +1     1     2     4
  C     1.97456174 +1   90.6107543 +1 -179.5577174 +1     1     2     6
  C     1.33375601 +1  120.0108385 +1  -79.1443120 +1     7     1     2
  C     1.43743440 +1  110.2667224 +1   77.4858339 +1     3     1     2
  C     1.42513846 +1  118.6149259 +1  133.2207491 +1     3     1     9
  C     1.33361802 +1  120.0498516 +1   -0.8213460 +1     4     1     5
  C     1.43740729 +1  110.0148796 +1  -76.8348564 +1     6     1     2
  C     1.42519864 +1  118.6154431 +1 -132.8918592 +1     6     1    12
  H     1.08221660 +1  115.3841868 +1 -179.1458864 +1     7     1     8
  H     1.11575407 +1  102.9925279 +1 -100.7319247 +1     9     3     1
  H     1.10375727 +1  111.3618014 +1 -115.6081011 +1     9     3    15
  H     1.09546113 +1  109.0562126 +1  161.7905271 +1    10     3     1
  H     1.09451799 +1  111.8527305 +1  123.0373441 +1    10     3    17
  H     1.09734707 +1  103.5887628 +1  120.0078982 +1    10     3    18
  H     1.08217963 +1  115.2929645 +1  179.0369316 +1     4     1    11
  H     1.10369019 +1  111.3577129 +1 -144.7884879 +1    12     6     1
  H     1.11592066 +1  102.9390521 +1 -115.4054350 +1    12     6    21
  H     1.09717654 +1  103.6124620 +1  -45.4785758 +1    13     6     1
  H     1.09467121 +1  111.7931213 +1  120.0041569 +1    13     6    23
  H     1.09539690 +1  109.1179129 +1  122.9100374 +1    13     6    24
  I     2.62777881 +1  179.6402638 +1 -123.8844452 +1     1     2     7
  I     2.11408394 +1  121.2705221 +1 -179.5327411 +1     8     7     1