Accuracy

13 Chloromethane - formaldehyde    132 13 Chloromethane - formaldehyde

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    #  Species Formula
   122 03 Methane - Br2CH4Br2
   123 04 Methane - I2CH4I2
   124 05 Fluoromethane - methaneC2H7F
   125 06 Chloromethane - methaneC2H7Cl
   126 07 Trifluoromethane - methaneC2H5F3
   127 08 Trichloromethane - methaneC2H5Cl3
   128 09 Fluoromethane dimerC2H6F2
   129 10 Chloromethane dimerC2H6Cl2
   130 11 Trifluorobenzene - benzeneC12H9F3
   131 12 Hexafluorobenzene - benzeneC12H6F6
   132 13 Chloromethane - formaldehyde C2H5OCl
   133 14 Bromomethane - formaldehydeC2H5OBr
   134 15 Iodomethane - formaldehydeC2H5OI
   135 16 Trifluorochloromethane - formaldehydeC2H2OF3Cl
   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


ΔHf: -1.0 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
13 Chloromethane - formaldehyde
 H=-1.027+"13 Chloromethane - formaldehyde separated.mop" HR=CCSDT HWT=5
  C     0.17981035 +0  -0.07719755 +0  -0.11802464 +0
 Cl     1.72267948 +1   0.39903125 +0   0.62807610 +0
  H     0.13036070 +0  -1.15907600 +1  -0.15509651 +0
  H    -0.63047719 +0   0.31433874 +0   0.48550704 +0
  H     0.13495916 +0   0.33574818 +0  -1.11888800 +0
  O     4.89750547 +0   0.87684880 +0   1.39021621 +0
  C     5.19446014 +0   0.23830708 +0   0.40515676 +0
  H     6.24419638 +0   0.05449610 +0   0.12836350 +0
  H     4.43008567 +0  -0.18868032 +0  -0.26018367 +0