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

as(iii)cbr2 (fafwak)   4381 As(III)CBr2 (FAFWAK)

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    #  Species Formula
  4371 Mn(CO)4CBr (Al) (CMNCXA10) (Geo)C6H3O5AlMnBr3
  4372 Copper(II) tribromide, anionCuBr3
  4373 Copper(II) tribromide, anion (Geo)CuBr3
  4374 Gallium tribromideGaBr3
  4375 Gallium tribromide-ammonia (Geo)H3NGaBr3
  4376 Tribromomethylgermane (Geo)CH3GeBr3
  4377 TribromovinylgermaneC2H3GeBr3
  4378 Arsenic tribromideAsBr3
  4379 Arsenic tribromide (Geo)AsBr3
  4380 As(III)CBr2 (FAFWAK) (Geo)C6H4AsBr3
  4381 As(III)CBr2 (FAFWAK) C6H4AsBr3
  4382 Carbon tetrabromide (Geo)CBr4
  4383 Tetrabromoethylene (Geo)C2Br4
  4384 Magnesium dibromide, dimerMg2Br4
  4385 Al(III)Br2N2 (BRMAAL) (Geo)C4H12N2Al2Br4
  4386 Al(III)Br2N2 (BRMAAL)C4H12N2Al2Br4
  4387 Silicon tetrabromide (Geo)SiBr4
  4388 Silicon tetrabromideSiBr4
  4389 Titanium tetrabromideTiBr4
  4390 vanadium(V) tetrabromide (Geo)VBr4
  4391 vanadium(V) tetrabromideVBr4


ΔHf: 14.6 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)CBr2 (FAFWAK)
 H=14.6 HR=PW91D
 As     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.33153900 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Br     2.33206736 +1  100.4970375 +1    0.0000000 +0     1     2     0
  C     1.96909953 +1   99.0731569 +1 -100.6092865 +1     1     2     3
  C     1.39780165 +1  119.0284835 +1 -130.9275646 +1     4     1     2
  C     1.38803545 +1  122.9849149 +1 -179.2617359 +1     5     4     1
  C     1.39453101 +1  118.8142346 +1   -0.3940699 +1     6     5     4
  C     1.39216191 +1  119.7915214 +1    0.0776123 +1     7     6     5
  C     1.39481244 +1  120.4055030 +1    0.2245889 +1     8     7     6
  H     1.09056130 +1  121.4975989 +1 -179.8695268 +1     6     5     7
  H     1.09014833 +1  119.9198266 +1 -179.9848627 +1     7     6     8
  H     1.08994864 +1  119.9426558 +1  179.8645993 +1     8     7     9
  H     1.09466910 +1  117.7009657 +1  179.7332915 +1     9     8     7
 Br     1.91083087 +1  120.2553849 +1  179.7359487 +1     5     4     6