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

mg(ii)cbro2 (emgbre10)   4167 Mg(II)CBrO2 (EMGBRE10)

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    #  Species Formula
  4157 Bromine pentafluoride (Geo)F5Br
  4158 Bromine pentafluorideF5Br
  4159 BromopentafluorobenzeneC6F5Br
  4160 Neon bromide anion (Geo)NeBr
  4161 Sodium bromide (Geo)NaBr
  4162 Sodium bromideNaBr
  4163 Magnesium bromideMgBr
  4164 Magnesium bromide (Geo)MgBr
  4165 Mg(II)O2Br(+) (BASLIQ) (Geo)C8H16O2MgBr
  4166 Mg(II)CBrO2 (EMGBRE10) (Geo)C10H25O2MgBr
  4167 Mg(II)CBrO2 (EMGBRE10) C10H25O2MgBr
  4168 EtMgBr.(Et2O)2 (Geo)C10H25O2MgBr
  4169 Aluminum bromide (Geo)AlBr
  4170 Silicon bromideSiBr
  4171 BromosilaneH3SiBr
  4172 TrimethylbromosilaneC3H9SiBr
  4173 Trifluorobromosilane (Geo)F3SiBr
  4174 SiC3Br (BRMSAD) (Geo)C9H21Si4Br
  4175 SiC3Br (BRMSAD)C9H21Si4Br
  4176 Phosphorus bromidePBr
  4177 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