Accuracy

cyclopropane     37 Cyclopropane

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    #  Species Formula
    27 Allene (Geo)C3H4
    28 Cyclopropene (Geo)C3H4
    29 CyclopropeneC3H4
    30 PropyneC3H4
    31 Propyne (Geo)C3H4
    32 Allyl, cationC3H5
    33 Cyclopropyl, cationC3H5
    34 Propenyl, cationC3H5
    35 AllylC3H5
    36 Cyclopropane (Geo)C3H6
    37 Cyclopropane C3H6
    38 PropeneC3H6
    39 Propene (Geo)C3H6
    40 i-Propyl radicalC3H7
    41 PropaneC3H8
    42 Propane (Geo)C3H8
    43 Carbon, tetramerC4
    44 Diacetylene (Geo)C4H2
    45 DiacetyleneC4H2
    46 CH2=C=C=CH2 (Geo)C4H4
    47 CH2=C=C=CH2C4H4


ΔHf: 12.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 11.0 eV,     REF: D. W. Turner, C. Baker, A. D. Baker, C. R. Brundle, "Molecular Photoelectron Spectroscopy," Wiley-Interscience, London, 1970.
  
 SYMMETRY
Cyclopropane
 HR=C&P1970 I=11.0 H=12.73,0.14 IR=TBBB1970 S=56.76 CP=13.29
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51008592 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.51008592 +0   60.0000000 +0    0.0000000 +0     1     2     0
  H     1.08589761 +1  119.7419560 +1 -109.2591448 +1     1     2     3
  H     1.08589761 +0  119.7419560 +0  109.2560498 +1     1     2     3
  H     1.08589761 +0  119.7419560 +0 -109.2591448 +0     2     1     3
  H     1.08589761 +0  119.7419560 +0  109.2560498 +0     2     1     3
  H     1.08589761 +0  119.7419560 +0 -109.2591448 +0     3     1     2
  H     1.08589761 +0  119.7419560 +0  109.2560498 +0     3     1     2
 
   2  1    3
   4  1    5    6    7    8    9
   4  2    5    6    7    8    9
   4  3    6    8
   5  3    7    9