PM7 Accuracy

dibromomethane   4283 Dibromomethane

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    #  Species Formula
  4273 Et3SeBrC6H15SeBr
  4274 Bromine, cation (Br2(+))Br2
  4275 Bromine (Geo)Br2
  4276 BromineBr2
  4277 Lithium bromide, dimer (Geo)Li2Br2
  4278 Lithium bromide, dimerLi2Br2
  4279 Beryllium dibromide (Geo)BeBr2
  4280 Beryllium dibromideBeBr2
  4281 Dibromoborane (1)HBBr2
  4282 Dibromomethane (Geo)CH2Br2
  4283 Dibromomethane CH2Br2
  4284 1,1-DibromoethaneC2H4Br2
  4285 1,4-DibromobutaneC4H8Br2
  4286 Li(I)2Br2N4 (SAJVEE01) (Geo)C12H32Li2N4Br2
  4287 Li(I)2Br2N4 (SAJVEE01)C12H32Li2N4Br2
  4288 Carbonyl bromideCOBr2
  4289 Carbonyl bromide (Geo)COBr2
  4290 1,2-Dibromocyclobutene-3,4-dione (Geo)C4O2Br2
  4291 Be(II)O2Br2 (QQQDPY01) (Geo)H20BeC8O2Br2
  4292 Be(II)O2Br2 (QQQDPY01)H20BeC8O2Br2
  4293 Li(I)2Br2O4 (DECXEO01) (Geo)C12H24Li2O4Br2


DHf: -3.5 kcal/mol,     REF: S. A. Kudchadker, A. P. Kudchadker, J. Phys. Chem. Ref. Data, 4, 457 (1975).
Dipole: 1.4 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.
  
 SYMM PM7
Dibromomethane
 H=-3.53 HR=KK1975 I=10.5 IR=LLNBS82 DR=CRC D=1.43
  H     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.09701086  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.09701086  0  111.0152716  1    0.0000000  0     2     1     0
 XX     0.74001300  1   55.0412835  1    0.0153363  1     2     1     3
 Br     1.93677815  1  124.1527036  1   90.0000000  0     2     4     1
 Br     1.93677815  0  124.1527036  0  -90.0000000  0     2     4     1
 
   2  1    3
   5  1    6
   5  2    6