Accuracy

Pt(II)Br2N2 (BGLYPT)   7771 Pt(II)Br2N2 (BGLYPT)

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    #  Species Formula
  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
  7768 Platinum(IV) oxide dibromideOBr2Pt
  7769 Platinum(IV) oxide dibromide (Geo)OBr2Pt
  7770 Pt(II)Br2N2 (BGLYPT) (Geo)C4H10N2O4Br2Pt
  7771 Pt(II)Br2N2 (BGLYPT) C4H10N2O4Br2Pt
  7772 Methyl platinum(II) iodideCH3IPt
  7773 Methyl platinum(II) iodide (Geo)CH3IPt
  7774 Pt(1,2-C2H4(SPh)2))BrI (Geo)C14H14S2BrIPt
  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


ΔHf: -203.4 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)Br2N2 (BGLYPT)
 H=-203.4 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.38506373 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.38174741 +1   96.8738706 +1    0.0000000 +0     1     2     0
  N     2.13221927 +1  177.5746091 +1 -151.7196810 +1     1     2     3
  O     2.87592924 +1   72.3244730 +1 -104.2777908 +1     4     1     3
  O     3.69090978 +1  126.1674957 +1 -160.9982931 +1     1     2     3
  O     2.24494663 +1  102.2802207 +1   47.9332604 +1     6     1     2
  N     2.13619299 +1   83.7777785 +1  -22.0618942 +1     1     2     6
  C     1.50473760 +1  117.4154730 +1   37.0620670 +1     4     1     5
  C     1.32672228 +1   60.5545897 +1  167.6952220 +1     5     4     1
  C     1.50295721 +1  115.6890173 +1   93.3254907 +1     8     1     2
  C     1.21165343 +1   78.6391346 +1  -18.1450119 +1     6     1     7
  H     1.10840829 +1   58.8243541 +1 -155.2928281 +1     5     4    10
  H     1.00781574 +1   87.6174484 +1  120.9627852 +1     7     6     1
  H     1.02170464 +1  109.4244221 +1  124.2562350 +1     4     1     9
  H     1.02604114 +1  106.7392189 +1  115.2343035 +1     4     1    15
  H     1.02384586 +1  107.5817290 +1  121.8641084 +1     8     1    11
  H     1.02453875 +1  109.7809754 +1  114.8505580 +1     8     1    17
  H     1.11489922 +1  110.3529890 +1   56.8994967 +1     9     4     1
  H     1.11328352 +1  111.4030524 +1  117.2752782 +1     9     4    19
  H     1.12504412 +1  108.9387849 +1  -39.7130232 +1    11     8     1
  H     1.11215036 +1  113.0423593 +1 -117.3945616 +1    11     8    21
  O     1.20379630 +1  120.8153757 +1  154.6893423 +1    10     5     4