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

as(iii)c2br (bropar)   4259 As(III)C2Br (BROPAR)

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    #  Species Formula
  4249 Bromogermane (Geo)H3GeBr
  4250 Bromotrimethylgermane (Geo)C3H9GeBr
  4251 TrimethylbromogermaneC3H9GeBr
  4252 GeO3Br (BUWCUR) (Geo)C6H12NO3GeBr
  4253 GeO3Br (BUWCUR)C6H12NO3GeBr
  4254 GeO4Br(-) (CUTLAE) (Geo)C12H8O4GeBr
  4255 GeO4Br(-) (CUTLAE)C12H8O4GeBr
  4256 GeC2S2Br (KADKOP) (Geo)C5H12NS2GeBr
  4257 GeC2S2Br (KADKOP)C5H12NS2GeBr
  4258 As(III)C2Br (BROPAR) (Geo)C12H10AsBr
  4259 As(III)C2Br (BROPAR) C12H10AsBr
  4260 As(III)BrS2(+) (EDTCAS) (Geo)C5H10NS2AsBr
  4261 As(III)BrS2(+) (EDTCAS)C5H10NS2AsBr
  4262 Et3SeBrC6H15SeBr
  4263 Bromine, cation (Br2(+))Br2
  4264 Bromine (Geo)Br2
  4265 BromineBr2
  4266 Lithium bromide, dimer (Geo)Li2Br2
  4267 Lithium bromide, dimerLi2Br2
  4268 Beryllium dibromide (Geo)BeBr2
  4269 Beryllium dibromideBeBr2


ΔHf: 55.0 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.
  
 PM7
As(III)C2Br (BROPAR)
 H=55.0 HR=PW91D
 As     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.35594287 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.96529756 +1   99.2786458 +1    0.0000000 +0     1     2     0
  C     4.77534945 +1  100.2191258 +1  105.0215809 +1     1     2     3
  C     1.39209235 +1   60.4941056 +1 -117.2982266 +1     4     1     2
  C     1.39426927 +1  120.1988041 +1    1.9947290 +1     5     4     1
  C     1.40279616 +1  117.2493650 +1 -132.7745636 +1     3     1     2
  C     1.39396521 +1  120.6164717 +1 -179.4973937 +1     7     3     1
  C     1.39275580 +1  120.2772898 +1   -0.1555301 +1     8     7     3
  C     1.39253610 +1  119.6449401 +1    0.0685859 +1     9     8     7
  C     1.39386218 +1  120.1518710 +1    0.0216674 +1    10     9     8
  C     1.40086081 +1  120.8671520 +1   -0.5174662 +1     6     5     4
  C     1.40346891 +1  118.3423329 +1    0.7021173 +1    12     6     5
  C     1.39329596 +1  120.7305640 +1   -0.4386586 +1    13    12     6
  H     1.08823779 +1  120.2590640 +1  178.1105273 +1     4     5     1
  H     1.08836592 +1  120.0349458 +1  179.7794361 +1     5     4     6
  H     1.09361250 +1  117.8707815 +1  179.8734788 +1     6     5    12
  H     1.09436808 +1  121.5722028 +1 -179.8434366 +1     7     3     8
  H     1.08816547 +1  119.7859437 +1 -179.9486101 +1     8     7     9
  H     1.08851488 +1  120.1531422 +1 -179.9738832 +1     9     8    10
  H     1.08841714 +1  120.0340481 +1 -179.8776864 +1    10     9    11
  H     1.09361840 +1  118.0442922 +1  179.9220963 +1    11    10     9
  H     1.09368555 +1  121.5439337 +1  179.8820144 +1    13    12    14
  H     1.08833431 +1  119.7785971 +1  179.8977320 +1    14    13    12