Accuracy

ptch3brr   7762 Methyl platinum(II) bromide (Geo)

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    #  Species Formula
  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
  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


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.
  
 SHIFT=80 PULAY PM7
Methyl platinum(II) bromide
 <Pt-Br> <Pt-C> <Br-Pt-C> GR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.38128500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.01415600 +1  103.6824770 +1    0.0000000 +0     1     2     0
  H     1.08823956 +1  108.9888337 +1   -2.0803684 +1     3     1     2
  H     1.08891435 +1  107.7360260 +1  119.9138178 +1     3     1     4
  H     1.08863212 +1  107.7715261 +1  120.1391276 +1     3     1     5