Accuracy

27 Bromomethane - benzene    146 27 Bromomethane - benzene

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    #  Species Formula
   136 17 Trifluorobromomethane - formaldehydeC2H2OF3Br
   137 18 Trifluoroiodomethane - formaldehydeC2H2OF3I
   138 19 Chlorobenzenezene - acetoneC9H11OCl
   139 20 Bromobenzenezene - acetoneC9H11OBr
   140 21 Iodobenzenezene - acetoneC9H11OI
   141 22 Chlorobenzenezene - trimethylamineC9H14NCl
   142 23 Bromobenzenezene - trimethylamineC9H14NBr
   143 24 Iodobenzenezene - trimethylamineC9H14NI
   144 25 Bromobenzenezene - methanethiolC7H9SBr
   145 26 Iodobenzenezene - methanethiolC7H9SI
   146 27 Bromomethane - benzene C7H9Br
   147 28 Iodomethane - benzeneC7H9I
   148 29 Trifluorobromomethane - benzeneC7H6F3Br
   149 30 Trifluoroiodomethane - benzeneC7H6F3I
   150 31 Trifluoromethanol - waterCH3O2F3
   151 32 Trichloromethanol - waterCH3O2Cl3
   152 33 HF - methanolCH5OF
   153 34 HCl - methanolCH5OCl
   154 35 HBr - methanolCH5OBr
   155 36 HI - methanolCH5OI
   156 37 HF - methylamineCH6NF


ΔHf: -2.0 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
27 Bromomethane - benzene
 H=-1.965+"27 Bromomethane - benzene separated.mop" HR=CCSDT HWT=5
  H     0.00770813 +0   0.21427713 +0   0.05232553 +0
  C     0.01038562 +1   0.20047385 +0   1.13364457 +0
  C     1.21787809 +0   0.24616864 +1   1.82843206 +0
  C     1.22125578 +0   0.22318328 +0   3.22170376 +0
  C     0.01750407 +0   0.15443437 +0   3.92052612 +0
  C    -1.18979481 +0   0.10838443 +0   3.22622341 +0
  C    -1.19362070 +0   0.13142251 +0   1.83273721 +0
  H     2.15205148 +0   0.29482904 +0   1.28581497 +0
  H     2.15835882 +0   0.25518437 +0   3.76058355 +0
  H     0.02046919 +0   0.13327757 +0   5.00176784 +0
  H    -2.12372701 +0   0.05062915 +0   3.76835773 +0
  H    -2.13014492 +0   0.09089190 +0   1.29350837 +0
 Br    -0.03766719 +0  -3.29507342 +0   1.77324000 +0
  C     0.09091442 +0  -5.22262236 +0   1.86897179 +0
  H     0.02222022 +0  -5.61870070 +0   0.86321530 +0
  H     1.04438092 +0  -5.47735711 +0   2.31526659 +0
  H    -0.72584639 +0  -5.58760147 +0   2.47957813 +0