Accuracy

propaner     42 Propane (Geo)

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    #  Species Formula
    32 Allyl, cationC3H5
    33 Cyclopropyl, cationC3H5
    34 Propenyl, cationC3H5
    35 AllylC3H5
    36 Cyclopropane (Geo)C3H6
    37 CyclopropaneC3H6
    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
    48 Vinylacetylene (Geo)C4H4
    49 VinylacetyleneC4H4
    50 1-ButyneC4H6
    51 1,2-ButadieneC4H6
    52 2-ButyneC4H6


REF: D. R. Lide, D. Christensen, J. Chem. Phys., 35, 1374 (1961).
  
 SYMMETRY
Propane
 <C-C> <C-C-C> <C2-H> <H-C2-C1> < > < > <C1-H> <H-C1-C2> GR=LC1961
 
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52600000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52600000 +0  112.4000000 +1    0.0000000 +0     1     2     0
  H     1.11452900 +1  109.4526930 +1 -121.9412311 +1     1     2     3
  H     1.11452900 +0  109.4526930 +0  121.9263403 +1     1     2     3
  H     1.09589800 +1  111.8000000 +1  180.0000000 +0     2     1     3
  H     1.09589800 +0  111.8000000 +0  180.0000000 +0     3     1     2
  H     1.09537346 +1  111.3924595 +1  -59.9537277 +1     2     1     3
  H     1.09537346 +0  111.3924595 +0   59.9535839 +1     2     1     3
  H     1.09537346 +0  111.3924595 +0   59.9535839 +0     3     1     2
  H     1.09537346 +0  111.3924595 +0  -59.9537277 +0     3     1     2
 
   2  1    3
   4  1    5
   6  1    7
   8  1    9   10   11
   4  2    5
   6  2    7
   8  2    9   10   11
   8  3   11
   9  3   10