Accuracy

mg(ii)cbro2 (emgbre10)   4165 Mg(II)CBrO2 (EMGBRE10)

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    #  Species Formula
  4155 Bromine pentafluoride (Geo)F5Br
  4156 Bromine pentafluorideF5Br
  4157 BromopentafluorobenzeneC6F5Br
  4158 Neon bromide anion (Geo)NeBr
  4159 Sodium bromide (Geo)NaBr
  4160 Sodium bromideNaBr
  4161 Magnesium bromideMgBr
  4162 Magnesium bromide (Geo)MgBr
  4163 Mg(II)O2Br(+) (BASLIQ) (Geo)C8H16O2MgBr
  4164 Mg(II)CBrO2 (EMGBRE10) (Geo)C10H25O2MgBr
  4165 Mg(II)CBrO2 (EMGBRE10) C10H25O2MgBr
  4166 EtMgBr.(Et2O)2 (Geo)C10H25O2MgBr
  4167 Aluminum bromide (Geo)AlBr
  4168 Silicon bromideSiBr
  4169 BromosilaneH3SiBr
  4170 TrimethylbromosilaneC3H9SiBr
  4171 Trifluorobromosilane (Geo)F3SiBr
  4172 SiC3Br (BRMSAD) (Geo)C9H21Si4Br
  4173 SiC3Br (BRMSAD)C9H21Si4Br
  4174 Phosphorus bromidePBr
  4175 Sulfur pentafluoride bromide (Geo)F5SBr


ΔHf: -192.6 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
Mg(II)CBrO2 (EMGBRE10)
 H=-192.6 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.12441874 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.16028388 +1  112.5286795 +1    0.0000000 +0     1     2     0
 Br     2.61590261 +1  106.1853248 +1 -101.4063057 +1     1     2     3
  C     2.08987716 +1   95.9041299 +1 -145.0130616 +1     1     2     4
  C     2.32686209 +1  102.0959474 +1  135.5310378 +1     2     1     3
  C     1.42164617 +1  114.4785744 +1 -177.0279448 +1     2     1     6
  C     1.51779572 +1  111.9232872 +1   61.9199462 +1     7     2     1
  C     1.43003258 +1  115.5164085 +1  -76.8085865 +1     3     1     2
  C     1.52115495 +1  109.6428393 +1  154.5390806 +1     9     3     1
  C     1.43085839 +1  109.5332449 +1 -132.5977397 +1     3     1     9
  H     1.08737610 +1  104.3728639 +1   21.7104984 +1     5     1     2
  H     1.08313744 +1  107.5378528 +1 -115.9721008 +1     5     1    12
  H     2.16315680 +1  137.0569792 +1 -127.9271408 +1     5     1    13
  H     1.76281720 +1   66.3024584 +1   42.4346968 +1    14     5     1
  H     1.76358682 +1   66.2674766 +1  -66.6113232 +1    14     5    15
  H     2.20335801 +1   53.9941900 +1  -83.3677753 +1     6     2     1
  H     1.80323663 +1   65.3909812 +1  -72.4124193 +1    17     6     2
  H     1.11352801 +1  101.3304860 +1 -120.1702349 +1     7     2     8
  H     1.10446891 +1  108.6226801 +1 -114.7988464 +1     7     2    19
  H     1.11024409 +1  102.4762849 +1 -118.9855104 +1     9     3    10
  H     1.10551407 +1  110.3961334 +1 -116.2684528 +1     9     3    21
  H     1.09747532 +1  110.9257230 +1 -162.6156363 +1    10     9     3
  H     1.09603047 +1  112.2276117 +1 -119.7651330 +1    10     9    23
  H     1.09709139 +1  111.4385500 +1 -120.4157213 +1    10     9    24
  H     2.19312655 +1   96.8810019 +1   35.9457443 +1    11     3     1
  H     1.10297357 +1  108.3817721 +1  148.8456900 +1    11     3    26
  H     1.76356042 +1   65.4439263 +1  159.8456089 +1    26    11     3
  H     1.77057682 +1   59.8341088 +1  -75.3488134 +1    28    26    11
  H     1.09609224 +1   97.1363094 +1 -147.8744987 +1     6     2    17
  H     1.10477014 +1   85.5236684 +1 -106.0460606 +1     6     2    30
  H     1.09708273 +1  146.4396697 +1 -113.2982152 +1     6     2    31
  H     1.09720258 +1  111.1692621 +1  176.0831240 +1     8     7     2
  H     1.10263876 +1  111.8238451 +1  118.8239835 +1     8     7    33
  H     1.09588487 +1  112.0601055 +1  121.0257079 +1     8     7    34
  H     1.11332744 +1  101.0449496 +1  115.0517593 +1    11     3    27
  C     1.09783277 +1   36.5894377 +1   36.9998126 +1    16    14     5
  C     1.09839807 +1   36.2221720 +1   39.5806698 +1    29    28    26
  C     1.10639252 +1   39.3290840 +1   30.7484249 +1    17     6    18