Cartesian Coordinates

0 1
 C                  0.00000000    0.00000000    0.77035778
 H                  0.00000000    1.00940328    1.12658797
 H                  0.87416888   -0.50470164    1.12658797
 H                 -0.87416888   -0.50470164    1.12658797
 C                 -0.00000000   -0.00000000   -0.77035778
 H                  0.87416888    0.50470164   -1.12658797
 H                 -0.87416888    0.50470164   -1.12658797
 H                 -0.00000000   -1.00940328   -1.12658797

 1 2 1.0 3 1.0 4 1.0 5 1.0
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 5 6 1.0 7 1.0 8 1.0
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Internal Coordinates

0 1
 C              
 H                  1            B1
 H                  1            B2    2            A1
 H                  1            B3    2            A2    3            D1    0
 C                  1            B4    4            A3    2            D2    0
 H                  5            B5    1            A4    4            D3    0
 H                  5            B6    1            A5    4            D4    0
 H                  5            B7    1            A6    4            D5    0

   B1             1.07041811
   B2             1.07041811
   B3             1.07041811
   B4             1.54071555
   B5             1.07041811
   B6             1.07041811
   B7             1.07041811
   A1           109.50389004
   A2           109.50389004
   A3           109.43853144
   A4           109.43853144
   A5           109.43853144
   A6           109.43853144
   D1           120.08011224
   D2          -119.95994388
   D3          -180.00000000
   D4            60.00000000
   D5           -60.00000000

 1 2 1.0 3 1.0 4 1.0 5 1.0
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 5 6 1.0 7 1.0 8 1.0
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