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

geo3br (buwcur)   4253 GeO3Br (BUWCUR)

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    #  Species Formula
  4243 Zn(II)N4Br(+) (DAEAZN) (Geo)C12H30N4ZnBr
  4244 Zn(II)N4Br(+) (DAEAZN)C12H30N4ZnBr
  4245 Gallium bromide (Geo)GaBr
  4246 Gallium bromideGaBr
  4247 Germanium bromideGeBr
  4248 BromogermaneH3GeBr
  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


ΔHf: -162.9 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
GeO3Br (BUWCUR)
 H=-162.9 HR=PW91D
 Br     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ge     2.29229878 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.71384389 +1   94.5161249 +1    0.0000000 +0     2     1     0
  N     2.11649223 +1   85.4527888 +1 -179.9739464 +1     2     3     1
  C     1.37454899 +1  120.3461328 +1  170.4020737 +1     3     2     1
  C     1.48197979 +1  105.2979923 +1  -13.1192417 +1     4     2     3
  C     2.43727301 +1   71.8452599 +1  137.9487392 +1     4     2     6
  C     1.56040523 +1   35.6778550 +1 -151.0439464 +1     7     4     2
  C     2.43730205 +1   71.8483448 +1  120.0512010 +1     4     2     7
  C     1.48196750 +1  105.3226707 +1  -18.0123658 +1     4     2     9
  H     1.10717271 +1  108.2480272 +1  -92.7037824 +1     5     3     2
  H     1.10780643 +1  105.5321427 +1 -117.9816486 +1     5     3    11
  H     1.11111266 +1  109.9192444 +1  -89.0251988 +1     6     4     2
  H     1.10418053 +1  112.9530394 +1 -120.0832068 +1     6     4    13
  H     1.10720687 +1  103.2110026 +1 -108.1940361 +1     7     4     8
  H     1.10782008 +1  141.1494169 +1  148.8874689 +1     7     4    15
  H     1.10413556 +1  111.2176783 +1 -123.4044118 +1     8     7     4
  H     1.11125996 +1  108.7374502 +1 -118.2368219 +1     8     7    17
  H     1.10773006 +1  141.1926726 +1 -110.3567481 +1     9     4     2
  H     1.10704877 +1  103.1529581 +1 -148.8990196 +1     9     4    19
  H     1.11118521 +1  109.9063578 +1  -88.9629440 +1    10     4     2
  H     1.10405937 +1  112.9554219 +1 -120.1337568 +1    10     4    21
  O     1.37438570 +1   81.5096936 +1  104.2391862 +1     7     4    16
  O     1.37453875 +1   81.5180011 +1 -106.8617152 +1     9     4    20