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

et3sebr   4262 Et3SeBr

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    #  Species Formula
  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 Et3SeBr C6H15SeBr
  4263 Bromine, cation (Br2(+))Br2
  4264 Bromine (Geo)Br2
  4265 BromineBr2
  4266 Lithium bromide, dimer (Geo)Li2Br2
  4267 Lithium bromide, dimerLi2Br2
  4268 Beryllium dibromide (Geo)BeBr2
  4269 Beryllium dibromideBeBr2
  4270 Dibromoborane (1)HBBr2
  4271 Dibromomethane (Geo)CH2Br2
  4272 DibromomethaneCH2Br2


ΔHf: -30.1 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
Et3SeBr
 H=-30.1 HR=PW91D
 Se     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.00392569 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.50698901 +1  108.1984035 +1    0.0000000 +0     2     1     0
  C     2.00338548 +1  101.3949945 +1 -102.2746523 +1     1     2     3
  C     1.50648979 +1  109.4552432 +1   67.8437880 +1     4     1     2
  C     2.00268330 +1  100.3240613 +1 -101.8220313 +1     1     2     4
  C     1.50669734 +1  108.8306385 +1  -77.5226567 +1     6     1     2
 Br     2.64905746 +1  117.3022239 +1  126.9172050 +1     1     6     2
  H     1.08933074 +1  107.6160854 +1  122.6389490 +1     2     1     3
  H     1.09219687 +1  105.2058745 +1  116.7188829 +1     2     1     9
  H     1.10281005 +1  112.0364793 +1  -58.8639900 +1     3     2     1
  H     1.09825838 +1  112.5964347 +1  119.8526480 +1     3     2    11
  H     1.09878002 +1  111.4555891 +1  120.4911414 +1     3     2    12
  H     1.09417003 +1  103.2349080 +1  119.9621219 +1     4     1     5
  H     1.08808329 +1  108.2055955 +1  116.0139437 +1     4     1    14
  H     1.09699484 +1  112.5745486 +1  -65.8005425 +1     5     4     1
  H     1.10229399 +1  111.8627368 +1  120.8826499 +1     5     4    16
  H     1.09979060 +1  111.2842290 +1  119.0169757 +1     5     4    17
  H     1.08839176 +1  108.2491567 +1  123.6232117 +1     6     1     7
  H     1.09352096 +1  103.8724592 +1  116.3109877 +1     6     1    19
  H     1.10327027 +1  111.8692974 +1  -56.0620035 +1     7     6     1
  H     1.09666832 +1  112.8150415 +1  120.6555915 +1     7     6    21
  H     1.09966031 +1  111.3240593 +1  120.2762379 +1     7     6    22