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87 Allene

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  #           Species Formula
  77 LiCH=CH2C2H3Li
  78 Ethyl lithiumC2H5Li
  79 Ethyl lithium (Geo)C2H5Li
  80 Dimethylberyllium (Geo)C2H6Be
  81 DimethylberylliumC2H6Be
  82 C2B4H6C2H6B4
  83 C2B4H6 (Geo)C2H6B4
  84 Carbon, trimerC3
  85 Cyclopropenyl, cationC3H3
  86 Propynyl, cationC3H3
  87 Allene C3H4
  88 Allene (Geo)C3H4
  89 Cyclopropene (Geo)C3H4
  90 CyclopropeneC3H4
  91 PropyneC3H4
  92 Propyne (Geo)C3H4
  93 Allyl, cationC3H5
  94 Cyclopropyl, cationC3H5
  95 Propenyl, cationC3H5
  96 AllylC3H5
  97 Cyclopropane (Geo)C3H6



DHf: 45.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 10.1 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
Allene
 I=10.07 IR=LLNBS82 HR=C&P1970 H=45.63,0.27
  C         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         1.29931568 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  H         1.08249270 +1  123.4058794 +1    0.0000000 +0    2    1    0       0.0000
  H         1.08249270 +0  123.4058794 +0  180.0000000 +0    2    1    3       0.0000
 XX         5.00000000 +0   90.0000000 +0    0.0000000 +0    1    2    3
  C         1.29931568 +0   90.0000000 +0  180.0000000 +0    1    5    2       0.0000
  H         1.08249270 +1  123.4058794 +1   90.0000000 +1    6    1    5       0.0000
  H         1.08249270 +1  123.4058794 +1  -90.0000000 +1    6    1    5       0.0000