Accuracy

methylidyne     48 Methylidyne

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

    

    #  Species Formula
    38 B5H9 (Geo)H9B5
    39 Pentaborane(9)H9B5
    40 B5H11 (Geo)H11B5
    41 Pentaborane(11)H11B5
    42 B6H10 (Geo)H10B6
    43 Hexaborane(10)H10B6
    44 B10H14 (Geo)H14B10
    45 Decaborane(14)H14B10
    46 Carbon, cationC
    47 Carbon, atomC
    48 Methylidyne HC
    49 Methylene, singlet (Geo)CH2
    50 Methylene, triplet (Geo)CH2
    51 Methylene, singletCH2
    52 Methylene, tripletCH2
    53 Methyl, cationCH3
    54 Methane (Geo)CH4
    55 MethaneCH4
    56 Methyl lithium (Geo)H3LiC
    57 Methyl lithiumH3LiC
    58 Carbon, dimer (Geo)C2


ΔHf: 142.4 kcal/mol,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 OPEN(1,1) PM7
Methylidyne
 H=142.4 HR=LLNBS82
 XX     1.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.00000000 +0    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.07438045 +1   90.0000000 +0    0.0000000 +0     2     1     0