ethane-d1  C2H5D
   0  -3   4   0  18  81    C2H5D
     9.434893900     0   0     0  0     0  0
                     0   0     0  0     0  0
    1    2   74.1673          .0177         1
    3    4  3382.2289         .3416         1
    5    6     .0             0.0           1
    0    0     .0             0.0           0
     0.0          0.00      1008.        0.         0.        0.
     0.00          0.00       00.00      0.         0.        0.
   0   0   1   0   0   0   0   0   0   0   0   0




ethane-d1  C2H5D
   0  -3   4   0  18  81    C2H5D
     9.434893900     0   0     0  0     0  0
                     0   0     0  0     0  0
    1    5  515.1             1.            0
    2    6  515.1             1.            0
    3    7   440.4            1.            0
    4    8   463.1            1.            0
    5    9   336.5            1.            0
    6   10   390.0            1.            0
    1    2   74.1673          .0177         1
    3    4  3382.2289         .3416         1
    5    6     .0             0.0           1
    7    8     .0             0.0           1
    5    6    2.76            0.0           0
    7    8  -24.57            0.0           0
    0    0     .0             0.0           0
     0.0          0.00      1008.        0.         0.        0.
     0.00          0.00       00.00      0.         0.        0.
   0   0   1   0   0   1   0   0   0   0   0   0