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

mg(ii)o5br2 (gupjac)   4294 Mg(II)O5Br2 (GUPJAC)

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    #  Species Formula
  4284 DibromofluoroboraneBFBr2
  4285 DifluorodibromomethaneCF2Br2
  4286 1,2-DibromotetrafluoroethaneC2F4Br2
  4287 Sodium bromide, dimer (Geo)Na2Br2
  4288 Sodium bromide, dimerNa2Br2
  4289 Magnesium dibromideMgBr2
  4290 Magnesium dibromide (Geo)MgBr2
  4291 Mg(II)O2Br2 (MGBEET) (Geo)C8H20O2MgBr2
  4292 Mg(II)O2Br2 (MGBEET)C8H20O2MgBr2
  4293 Mg(II)O5Br2 (GUPJAC) (Geo)C10H22O5MgBr2
  4294 Mg(II)O5Br2 (GUPJAC) C10H22O5MgBr2
  4295 Silicon dibromideSiBr2
  4296 DibromosilaneH2SiBr2
  4297 SiH2CBr (ZUHPIB) (Geo)C2H8Si2Br2
  4298 SiH2CBr (ZUHPIB)C2H8Si2Br2
  4299 Sulfur dibromideSBr2
  4300 Thionyl bromide (Geo)OSBr2
  4301 Dibromine disulfideS2Br2
  4302 Potassium bromide, dimer (Geo)K2Br2
  4303 Potassium bromide, dimerK2Br2
  4304 Calcium dibromide (Geo)CaBr2


ΔHf: -329.4 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)O5Br2 (GUPJAC)
 H=-329.4 HR=PW91D
 Mg     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Br     2.65244221 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.25323293 +1   92.0534736 +1    0.0000000 +0     1     2     0
  O     2.37109283 +1  102.3621858 +1  -70.5873277 +1     1     2     3
  O     2.27417969 +1   91.8280022 +1  145.5791375 +1     1     2     4
  O     2.24157782 +1   90.7393868 +1  143.0552873 +1     1     2     5
  C     1.42000825 +1  108.4932759 +1  102.6772770 +1     3     1     2
  C     1.42878278 +1  108.5919863 +1  -66.9802358 +1     5     1     2
  C     2.30633840 +1   84.4267300 +1  -87.6433140 +1     6     1     2
  C     1.42954586 +1  111.0384348 +1  124.6696250 +1     5     1     8
  C     1.42382535 +1  115.0914550 +1 -129.6202679 +1     3     1     7
  C     1.52868044 +1  103.0256985 +1   50.4809405 +1    10     5     1
  C     1.42855810 +1  111.3786376 +1   30.6710628 +1     6     1     9
  C     1.42948930 +1  109.8264085 +1  -90.3743239 +1     4     1     2
  C     1.42857903 +1  106.4534112 +1  124.9600104 +1     6     1    13
  C     1.42503898 +1  116.1126537 +1 -126.7904490 +1     4     1    14
  H     1.11731778 +1  101.5182344 +1   73.2992832 +1     7     3     1
  H     1.10075463 +1  111.2926662 +1  116.6260967 +1     7     3    17
  H     1.10663962 +1  110.2518849 +1   67.4452024 +1     8     5     1
  H     1.10321583 +1  108.8786942 +1  120.6676239 +1     8     5    19
  H     1.10922908 +1   85.5227000 +1  -90.8604015 +1     9     6     1
  H     1.10240169 +1  148.8734709 +1 -123.3417155 +1     9     6    21
  H     1.10830124 +1  110.4203149 +1 -119.5351166 +1    10     5    12
  H     1.10278369 +1  108.6685391 +1 -121.3276663 +1    10     5    23
  H     1.10340437 +1  103.1499906 +1  -46.5046008 +1    11     3     1
  H     1.09440148 +1  112.2892757 +1  118.6800466 +1    11     3    25
  H     1.09397955 +1  108.9586679 +1  123.6461143 +1    11     3    26
  H     1.10871449 +1  112.1130427 +1   48.5596188 +1    12    10     5
  H     1.10266379 +1  112.0632769 +1  124.7831645 +1    12    10    28
  H     1.10278818 +1  108.5001829 +1 -170.4680561 +1    13     6     1
  H     1.10775473 +1  110.6442283 +1 -121.3941272 +1    13     6    30
  H     1.10981428 +1  109.6585143 +1  -80.5915907 +1    14     4     1
  H     1.10291060 +1  108.5090756 +1 -120.6879893 +1    14     4    32
  H     1.10251771 +1  110.1417465 +1 -174.0612216 +1    15     6     1
  H     1.10834142 +1  110.0156813 +1  121.1979022 +1    15     6    34
  H     1.09668902 +1  111.8055458 +1   73.5397493 +1    16     4     1
  H     1.09380251 +1  108.9722880 +1  123.3865406 +1    16     4    36
  H     1.09921543 +1  104.4809108 +1  118.5572008 +1    16     4    37
 Br     2.62020813 +1   88.6499978 +1  168.6882327 +1     1     6     2
  O     1.42922290 +1  102.5372305 +1  116.8550743 +1    12    10    29