PM7 Accuracy

bromoform   4362 Bromoform

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    #  Species Formula
  4352 Zn(II)N2Br2 (CAHGIB)C5H14N2ZnBr2
  4353 Zn(II)O2Br2 (CARYUP) (Geo)H4O2ZnBr2
  4354 Zn(II)O2Br2 (CARYUP)H4O2ZnBr2
  4355 Germanium dibromide (Geo)GeBr2
  4356 Germanium dibromideGeBr2
  4357 As(V)C2Br3 (DMEASB) (Geo)C14H14As2Br2
  4358 As(V)C2Br3 (DMEASB)C14H14As2Br2
  4359 Selenium dibromideSeBr2
  4360 Boron tribromide (Geo)BBr3
  4361 Boron tribromideBBr3
  4362 Bromoform HCBr3
  4363 1,1,1-TribromoethaneC2H3Br3
  4364 2,4,6-TribromoanilineC6H4NBr3
  4365 Aluminum tribromide (Geo)AlBr3
  4366 Aluminum tribromideAlBr3
  4367 Br3Al-NH3 (Geo)H3NAlBr3
  4368 TribromosilaneHSiBr3
  4369 Phosphorus tribromide (Geo)PBr3
  4370 Phosphorus tribromidePBr3
  4371 Phosphorus oxybromideOPBr3
  4372 Phosphorus oxybromide (Geo)OPBr3


DHf: 4.4 kcal/mol,     REF: S. A. Kudchadker, A. P. Kudchadker, J. Phys. Chem. Ref. Data, 4, 457 (1975).
Dipole: 1.0 Debye,     REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
I.P.: 10.5 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Bromoform
 HR=KK1975 H=4.4 D=0.99 I=10.5 IR=LLNBS82 DR=CRC
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.10439491  1    0.0000000  0    0.0000000  0     1     0     0
 Br     1.93830882  1  108.2112236  1    0.0000000  0     2     1     0
 Br     1.93830882  0  108.1898599  1 -119.9890322  1     2     1     3
 Br     1.93830882  0  108.2088521  1  120.0177340  1     2     1     3
 
   2  1    3