Accuracy

i-propyl radical     40 i-Propyl radical

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    #  Species Formula
    30 PropyneC3H4
    31 Propyne (Geo)C3H4
    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 radical C3H7
    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


ΔHf: 16.8 kcal/mol,     REF: J. L. Franklin, J. G. Dillard, H. M. Rosenstock, J. T. Herron, K. Draxl, F. H. Field, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand., No. 26 (1969).
  
 OPEN(1,1)
i-Propyl radical
 H=16.8 HR=FDRH1969
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47067943 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.47065639 +1  120.8971837 +1    0.0000000 +0     1     2     0
  H     1.07157471 +1  119.5157926 +1  179.9986499 +1     1     2     3
  H     1.09893874 +1  112.1659890 +1  151.5753356 +1     2     1     3
  H     1.10199589 +1  110.2676990 +1  -89.0342057 +1     2     1     3
  H     1.09887789 +1  112.4966743 +1   30.4432498 +1     2     1     3
  H     1.09892047 +1  112.1703983 +1  151.7004472 +1     3     1     2
  H     1.09887678 +1  112.4907052 +1   30.5691515 +1     3     1     2
  H     1.10198416 +1  110.2680647 +1  -88.9043189 +1     3     1     2