F-CH3-OH (-) TS     40 F-CH3-OH (-) TS

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
    30 4b Fulminic acid plus acetylene TSC3H3NO
    31 4a Fulminic acid plus ethylene TSC3H5NO
    32 7b Methylene nitrone plus acetylene TSC3H5NO
    33 7a Methylene nitrone plus ethylene TSC3H7NO
    34 N-methyl acetamide, TS, forward reactionC3H7NO
    35 N2OH TSHN2O
    36 1b Nitrous oxide and acetylene TSC2H2N2O
    37 1a Nitrous oxide and ethylene TSC2H4N2O
    38 H plus HF - HF plus H TSH2F
    39 H plus FCH3 - HF plus CH3 TSCH4F
    40 F-CH3-OH (-) TS CH4OF
    41 HOCH3F TS 2CH4OF
    42 OH(-) plus CH3F - HOCH3 plus F(-) TSCH4OF
    43 HF2 TSHF2
    44 FCH3F TS 1CH3F2
    45 EP(-) plus CH3O(-) TSC3H7O5P
    46 REP(-) plus CH3O(-) TSC5H9O6P
    47 HClH TSH2Cl
    48 CH3 plus FCl - CH3F plus Cl TSCH3FCl
    49 F - CH3 - Cl(-) TS, forward reactionCH3FCl
    50 FCH3Cl TS 1CH3FCl


ΔHf: -2.4 kcal/mol,     REF: Zheng, J., Zhao, Y,Truhlar, D. G., "The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights", J. Chem. Theory Comput. 2009, 5, 808–821
  
 CHARGE=-1
      F-CH3-OH (-) TS
      h=-2.44+"CH3F plus OH(-)" hr=zzt 2009
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  O     1.86725400  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.08400300  1   88.2756620  1    0.0000000  0     1     2     0
  H     1.08536800  1   86.1452810  1  120.4009630  1     1     2     3
  H     1.08596200  1   85.0458870  1  119.7691200  1     1     2     4
  F     1.71439000  1   94.0857230  1  179.2244940  1     1     5     2
  H     0.91081000  1  110.8508300  1  -23.9314120  1     2     1     3