File: propaner.mop

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mopac 22.0.6%2Bdfsg-1
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*
*   -23.007
*
 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
 
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