PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

propaner     99 Propane (Geo)

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    #  Species Formula
    89 Allyl, cationC3H5
    90 Cyclopropyl, cationC3H5
    91 Propenyl, cationC3H5
    92 AllylC3H5
    93 Cyclopropane (Geo)C3H6
    94 CyclopropaneC3H6
    95 PropeneC3H6
    96 Propene (Geo)C3H6
    97 i-Propyl radicalC3H7
    98 PropaneC3H8
    99 Propane (Geo) C3H8
   100 Isopropyl lithiumH7LiC3
   101 Isopropyl lithium (Geo)H7LiC3
   102 Trimethyborane (Geo)H9BC3
   103 TrimethylboraneH9BC3
   104 Carbon, tetramerC4
   105 Diacetylene (Geo)C4H2
   106 DiacetyleneC4H2
   107 CH2=C=C=CH2 (Geo)C4H4
   108 CH2=C=C=CH2C4H4
   109 Vinylacetylene (Geo)C4H4


REF: D. R. Lide, D. Christensen, J. Chem. Phys., 35, 1374 (1961).
  
 SYMMETRY PM7
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