Accuracy

methyl, cation      9 Methyl, cation

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

    

    #  Species Formula
  1948 Iodoform (Geo)HCI3
  1949 IodoformHCI3
     1 Hydrogen, atomH
     2 Hydrogen (Geo)H2
     3 HydrogenH2
     4 Carbon, atomC
     5 MethylidyneHC
     6 Methylene, singlet (Geo)CH2
     7 Methylene, triplet (Geo)CH2
     8 Methylene, singletCH2
     9 Methyl, cation CH3
    10 Methane (Geo)CH4
    11 MethaneCH4
    12 AcetyleneC2H2
    13 Acetylene (Geo)C2H2
    14 Vinyl, cationC2H3
    15 VinylC2H3
    16 Ethylene, cationC2H4
    17 Ethylene (Geo)C2H4
    18 EthyleneC2H4
    19 MethylmethyleneC2H4


ΔHf: 261.0 kcal/mol,     REF: M. T. Bowers, "Gas Phase Ion Chemistry," Vol. 2 (Academic Press, New York, (1979).
  
 CHARGE=1 SYMMETRY
Methyl, cation
 H=261.0 HR=MTB1979
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 XX     1.09815929 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0  120.0000000 +0    0.0000000 +0     2     1     0
  H     1.09815929 +0   90.0000000 +1  180.0000000 +0     1     2     3
  H     1.09815929 +0   90.0000000 +0   60.0000000 +0     1     2     3
  H     1.09815929 +0   90.0000000 +0  -60.0000000 +0     1     2     3
 
   2  1    4    5    6
   4  2    5    6