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63 Acetylene

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  #           Species Formula
  53 Methylene, singlet (Geo)CH2
  54 Methylene, triplet (Geo)CH2
  55 Methylene, singletCH2
  56 Methylene, tripletCH2
  57 Methyl, cationCH3
  58 Methane (Geo)CH4
  59 MethaneCH4
  60 Methyl lithium (Geo)CH3Li
  61 Methyl lithiumCH3Li
  62 Carbon, dimer (Geo)C2
  63 Acetylene C2H2
  64 Acetylene (Geo)C2H2
  65 Vinyl, cationC2H3
  66 VinylC2H3
  67 Ethylene, cationC2H4
  68 Ethylene (Geo)C2H4
  69 EthyleneC2H4
  70 MethylmethyleneC2H4
  71 Ethyl, cationC2H5
  72 Ethyl radicalC2H5
  73 Ethane (Geo)C2H6



DHf: 54.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 11.4 eV,     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.

  
 SYMMETRY
Acetylene
 I=11.40 IR=LLNBS82 HR=C&P1970 H=54.34,0.19
 XX         1.00000000 +0    0.0000000 +0    0.0000000 +0 
  C         1.00000000 +0    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.20265423 +1   90.0000000 +0    0.0000000 +0    2    1    0       0.0000
 XX         1.00000000 +0   90.0000000 +0    0.0000000 +0    3    2    1
  H         1.03343426 +1   90.0000000 +0  180.0000000 +0    3    4    1       0.0000
  H         1.03343426 +0   90.0000000 +0  180.0000000 +0    2    1    4       0.0000