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

Pt(II)Br2N2 (ACHPTB)   7768 Pt(II)Br2N2 (ACHPTB)

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    #  Species Formula
  7758 Pt(II)N4 (BOHWOK)C4H2N4O4Cl4Pt
  7759 cis-Pt(PEt3)2Cl4C12H30P2Cl4Pt
  7760 Pt(IV)Cl6(2-) (DEFVUF) (Geo)Cl6Pt
  7761 Pt(IV)Cl6(2-) (DEFVUF)Cl6Pt
  7762 Methyl platinum(II) bromideCH3BrPt
  7763 Methyl platinum(II) bromide (Geo)CH3BrPt
  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


ΔHf: -18.8 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 (ACHPTB)
 H=-18.8 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.38400171 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.38398231 +1   92.4648699 +1    0.0000000 +0     1     2     0
  N     1.97943339 +1  174.0851971 +1  179.2687020 +1     1     2     3
  N     2.10321735 +1   92.4792837 +1  179.3425367 +1     1     2     3
  C     1.30083422 +1  118.7952525 +1    5.2001081 +1     4     1     2
  C     1.51856016 +1  110.6225808 +1  170.7166138 +1     5     1     2
  C     1.53651731 +1  111.1984855 +1  133.6541722 +1     7     5     1
  C     1.53202829 +1  110.3210713 +1 -175.7908204 +1     8     7     5
  C     1.53235193 +1  110.3040543 +1   59.7238895 +1     9     8     7
  C     1.49253579 +1  125.5971197 +1  178.1824568 +1     6     4     1
  H     1.01097811 +1  121.7734562 +1 -179.9674187 +1     4     1     6
  H     1.01771628 +1  111.2937057 +1 -121.9275540 +1     5     1     7
  H     1.01902420 +1  108.0037074 +1 -117.5192833 +1     5     1    13
  H     1.10658271 +1  110.5792936 +1 -121.7907463 +1     8     7     9
  H     1.10762282 +1  110.0340356 +1  121.5265182 +1     9     8    10
  H     1.10775598 +1  110.0950385 +1   63.0345071 +1    10     9     8
  H     1.11328963 +1  109.6084175 +1 -106.8888160 +1    11     6     4
  H     1.12295089 +1  108.4500365 +1  120.8755363 +1     7     5     8
  H     1.10996363 +1  110.4673335 +1 -117.0981401 +1     8     7    15
  H     1.10651641 +1  110.5881206 +1  116.0896302 +1     9     8    16
  H     1.10701390 +1  110.1707528 +1  116.0412661 +1    10     9    17
  H     1.10990615 +1  112.0204100 +1  116.0146778 +1    11     6    18