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

ptch3ir   7774 Methyl platinum(II) iodide (Geo)

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    #  Species Formula
  7764 Pt(II)N3Br(+) (BDETAP) (Geo)C4H13N3BrPt
  7765 Pt(II)N3Br(+) (BDETAP)C4H13N3BrPt
  7766 trans-Pt(PEt3)2(Allyl)Br (Geo)C15H35P2BrPt
  7767 Pt(II)Br2N2 (ACHPTB) (Geo)C6H12N2Br2Pt
  7768 Pt(II)Br2N2 (ACHPTB)C6H12N2Br2Pt
  7769 Platinum(IV) oxide dibromideOBr2Pt
  7770 Platinum(IV) oxide dibromide (Geo)OBr2Pt
  7771 Pt(II)Br2N2 (BGLYPT) (Geo)C4H10N2O4Br2Pt
  7772 Pt(II)Br2N2 (BGLYPT)C4H10N2O4Br2Pt
  7773 Methyl platinum(II) iodideCH3IPt
  7774 Methyl platinum(II) iodide (Geo) CH3IPt
  7775 Pt(1,2-C2H4(SPh)2))BrI (Geo)C14H14S2BrIPt
  7776 cis-Pt(NH3)2I2 (Geo)H6N2I2Pt
  7777 Pt(II)I2N2 (DIPYPT) (Geo)C10H10N2I2Pt
  7778 Pt(II)I2N2 (DIPYPT)C10H10N2I2Pt
  7779 Pt(IV)N4I2(2+) (BEVMAQ) (Geo)C4H16N4I2Pt
  7780 Pt(IV)N4I2(2+) (BEVMAQ)C4H16N4I2Pt
  7781 Platinum(IV) oxide diiodideOI2Pt
  7782 Platinum(IV) oxide diiodide (Geo)OI2Pt
  7783 Pt(II)I2N2 (CUPCAR) (Geo)C6H6N2O2I2Pt
  7784 Pt(II)I2N2 (CUPCAR)C6H6N2O2I2Pt


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) iodide
 <Pt-I><Pt-C><I-Pt-C> GR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  I     2.55827700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.01333400 +1  104.1926580 +1    0.0000000 +0     1     2     0
  H     1.08729441 +1  109.4621286 +1   -3.0451365 +1     3     1     2
  H     1.08900812 +1  107.2532967 +1  120.1395301 +1     3     1     4
  H     1.08889188 +1  107.2601799 +1  119.6799910 +1     3     1     5