 S L P   CF   NI       ENERGY(RYD)
 1 0 0    1    1          0.000000       
 3 1 1    2    1          0.489807       
 1 1 1    2    2          1.027354       
 3 1 0    3    2          1.273037       
 1 2 0    3    1          1.424114       
 1 0 0    3    3          1.782016       
 0 0 0    0    0        -72.893022
