Accuracy

Pt(II)N4 (BOHWOK)   7757 Pt(II)N4 (BOHWOK)

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    #  Species Formula
  7747 Pt(II)Cl3N(-) (APTCPT) (Geo)C7H9NCl3Pt
  7748 Pt(II)Cl3N(-) (APTCPT)C7H9NCl3Pt
  7749 Pt(IV)Cl3CN2 (CEFJAY) (Geo)C12H19N2Cl3Pt
  7750 Pt(IV)Cl3CN2 (CEFJAY)C12H19N2Cl3Pt
  7751 Pt(IV)N3Cl3(+) (ENTAPT) (Geo)C4H13N3Cl3Pt
  7752 Pt(IV)N3Cl3(+) (ENTAPT)C4H13N3Cl3Pt
  7753 mer-(NH3)2-Cl3-(N-pyridonato) platinum (Geo)C5H10N3OCl3Pt
  7754 Pt(II)Cl4(2-) (CULZIS) (Geo)Cl4Pt
  7755 Pt(II)Cl4(2-) (CULZIS)Cl4Pt
  7756 Pt(II)N4 (BOHWOK) (Geo)C4H2N4O4Cl4Pt
  7757 Pt(II)N4 (BOHWOK) C4H2N4O4Cl4Pt
  7758 cis-Pt(PEt3)2Cl4C12H30P2Cl4Pt
  7759 Pt(IV)Cl6(2-) (DEFVUF) (Geo)Cl6Pt
  7760 Pt(IV)Cl6(2-) (DEFVUF)Cl6Pt
  7761 Methyl platinum(II) bromideCH3BrPt
  7762 Methyl platinum(II) bromide (Geo)CH3BrPt
  7763 Pt(II)N3Br(+) (BDETAP) (Geo)C4H13N3BrPt
  7764 Pt(II)N3Br(+) (BDETAP)C4H13N3BrPt
  7765 trans-Pt(PEt3)2(Allyl)Br (Geo)C15H35P2BrPt
  7766 Pt(II)Br2N2 (ACHPTB) (Geo)C6H12N2Br2Pt
  7767 Pt(II)Br2N2 (ACHPTB)C6H12N2Br2Pt


ΔHf: 13.2 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(II)N4 (BOHWOK)
 H=13.2 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.95567401 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.96714323 +1   79.3582006 +1    0.0000000 +0     1     2     0
  C     2.82957366 +1  125.9719013 +1 -179.1527433 +1     1     2     3
  C     1.44659050 +1   75.3120143 +1  179.7758079 +1     4     1     2
  N     1.32649695 +1  112.6307612 +1    0.3256123 +1     5     4     1
  N     1.34710476 +1   38.6735782 +1  178.2255667 +1     4     1     5
  O     1.35908650 +1  118.3058661 +1  179.1566169 +1     6     5     4
  O     1.24740745 +1  123.0995790 +1  178.5284904 +1     7     4     1
  C     1.32633636 +1  118.0101422 +1   -1.3515529 +1     2     1     3
  O     1.35908883 +1  123.6422313 +1  179.7554924 +1     2     1    10
  C     1.34715425 +1  115.9800219 +1    1.9466700 +1     3     1     2
  O     1.24741811 +1  120.8673174 +1  178.3040927 +1     3     1    12
 Cl     1.67542800 +1  125.5376942 +1 -179.6734310 +1    10     2     1
 Cl     1.67630608 +1  124.8565897 +1  178.6160875 +1    12     3     1
  H     1.05844524 +1  104.2125580 +1    0.6919630 +1    11     2     1
  H     1.05832402 +1  104.2168602 +1  179.7017467 +1     8     6     5
 Cl     1.67534520 +1  121.8485096 +1  179.8017517 +1     5     4     6
 Cl     1.67632989 +1  163.5086285 +1    1.0074639 +1     4     1     7