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

Pt(IV)N2O2C2 (BAVHIP)   7680 Pt(IV)N2O2C2 (BAVHIP)

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    #  Species Formula
  7670 Pt(II)N4(2+) (ACMPTC) (Geo)C4H22N6Pt
  7671 Pt(II)N4(2+) (ACMPTC)C4H22N6Pt
  7672 Pt(CO)4 (Geo)C4O4Pt
  7673 Pt(NH3)2(malonate) (Geo)C3H8N2O4Pt
  7674 Pt(II)N2O2 (CAGDUJ) (Geo)C5H6N2O4Pt
  7675 Pt(II)N2O2 (CAGDUJ)C5H6N2O4Pt
  7676 Pt(CH2(COO)2)(NH2C2H4NH2)C5H10N2O4Pt
  7677 Pt((COO)2CHEt)(NH3)2C5H12N2O4Pt
  7678 Cis-Pt(1,1-cbda)(NH3)2C6H12N2O4Pt
  7679 Pt(IV)N2O2C2 (BAVHIP) (Geo)C6H14N2O4Pt
  7680 Pt(IV)N2O2C2 (BAVHIP) C6H14N2O4Pt
  7681 Cis-Pt(1,1-cbda)(NH2Me)2 (34)C8H16N2O4Pt
  7682 Cis-Pt(1,2-cbda)(NH2Me)2C8H16N2O4Pt
  7683 Cis-Pt(1,1-cbda)(NH2Et)2C10H20N2O4Pt
  7684 Cis-Pt(1,1-cbda)(NH2-i-Pr)2C12H24N2O4Pt
  7685 Pt((COO)2CH(OH))(NH3)2C3H8N2O5Pt
  7686 Pt(II)(H2O)6H12O6Pt
  7687 Pt(II)(H2O)6 (Geo)H12O6Pt
  7688 Pt(IV)O4N2 (BIPWIG) (Geo)C3H10N2O6Pt
  7689 Pt(IV)O4N2 (BIPWIG)C3H10N2O6Pt
  7690 Platinum EDTA (Geo)C10H12N2O8Pt


ΔHf: -153.2 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 PULAY PM7
Pt(IV)N2O2C2 (BAVHIP)
 H=-153.2 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.00266710 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.12640984 +1   80.1008166 +1    0.0000000 +0     1     2     0
  C     2.00337826 +1   80.9809679 +1   95.4453849 +1     1     2     3
  C     1.50399765 +1  104.8898247 +1  -30.5761970 +1     3     1     2
  C     1.30799415 +1  117.7211191 +1   17.6656937 +1     2     1     3
  O     1.20274141 +1  124.2098983 +1 -179.0453657 +1     6     2     1
  N     2.05532361 +1   98.4264669 +1  178.7521317 +1     1     4     2
  C     1.50534890 +1  111.3910873 +1  165.8346577 +1     8     1     4
  C     1.57133228 +1  109.4969301 +1   30.4282930 +1     9     8     1
  O     1.20503416 +1  118.3870586 +1  155.8378151 +1    10     9     8
  O     1.27617813 +1  113.1044446 +1 -178.3352164 +1    10     9    11
  H     1.09169204 +1  111.0783685 +1   13.0938283 +1     4     1     2
  H     1.08359049 +1  112.8570502 +1  118.1476294 +1     4     1    13
  H     1.08210778 +1  112.7398441 +1  122.2257436 +1     4     1    14
  H     2.58076665 +1   75.1653193 +1 -165.7413888 +1     1     2     6
  H     1.73556681 +1   71.0291238 +1  129.0439590 +1    16     1     2
  H     1.74051627 +1   73.0240809 +1   64.1726022 +1    16     1    17
  H     1.02052844 +1  115.3595392 +1  120.0150880 +1     3     1     5
  H     1.02225629 +1  112.8386043 +1  122.7651353 +1     3     1    19
  H     1.10328771 +1  113.4017452 +1  161.2900580 +1     5     3     1
  H     1.11887971 +1  109.4239565 +1  119.6698052 +1     5     3    21
  H     1.02787599 +1  111.9355833 +1 -121.3148003 +1     8     1     9
  H     1.02169902 +1  111.4932500 +1 -117.4788129 +1     8     1    23
  H     1.10771323 +1  110.8334438 +1 -118.3193904 +1     9     8    10
  H     1.10211720 +1  112.9187471 +1 -119.9677912 +1     9     8    25
  C     1.08981183 +1   47.2255091 +1  -30.4926740 +1    16     1    18