PM7 Accuracy

hexabromoethane   4437 Hexabromoethane

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    #  Species Formula
  4427 Zn(II)Br4(2-) (BEYNUO) (Geo)ZnBr4
  4428 Zn(II)Br4(2-) (BEYNUO)ZnBr4
  4429 Ga(III)Br4(-) (AGOGAE) (Geo)GaBr4
  4430 Ga(III)Br4(-) (AGOGAE)GaBr4
  4431 Ga(III)2N2Br4 (BAWVEA) (Geo)C10H10N2Ga2Br4
  4432 Ga(III)2N2Br4 (BAWVEA)C10H10N2Ga2Br4
  4433 Germanium tetrabromide (Geo)GeBr4
  4434 Germanium tetrabromideGeBr4
  4435 GeN2Br4 (BOMQOJ) (Geo)C14H18N2GeBr4
  4436 GeN2Br4 (BOMQOJ)C14H18N2GeBr4
  4437 Hexabromoethane C2Br6
  4438 Al2Br6 (Geo)Al2Br6
  4439 Aluminum tribromide dimerAl2Br6
  4440 Sulfur hexabromide (Geo)SBr6
  4441 Titanium(IV) hexabromide (Geo)TiBr6
  4442 Vanadium(V) hexabromide (Geo)VBr6
  4443 Cr(III)Br6(3-) (YIBWOV) (Geo)CrBr6
  4444 Gallium tribromide, dimer (Geo)Ga2Br6
  4445 Ge2Br6C (COJLOC) (Geo)C3H4O2Ge2Br6
  4446 Ge2Br6C (COJLOC)C3H4O2Ge2Br6
  4447 SeBr6(=)SeBr6


DHf: 31.8 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PULAY PM7
Hexabromoethane
 H=31.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.51052659  1    0.0000000  0    0.0000000  0     1     0     0
 Br     1.95705970  1  110.9262275  1    0.0000000  0     1     2     0
 Br     1.95699088  1  110.9293945  1 -120.0268108  1     1     2     3
 Br     1.95700351  1  110.9192164  1  120.0266572  1     1     2     3
 Br     1.95701550  1  110.9190951  1 -179.9928824  1     2     1     3
 Br     1.95709378  1  110.9231289  1   59.9838556  1     2     1     3
 Br     1.95704390  1  110.9236009  1  -60.0633892  1     2     1     3