 S L P   CF   NI       ENERGY(RYD)
 5 0 0    7    1          0.000000       
 5 1 1    3    3          0.343095       
 5 1 1    3    2          0.430385       
 5 1 1    3    1          0.489262       
 5 1 1    4    5          1.526802       
 5 1 1    4    3          1.634893       
 5 1 1    4    4          1.650763       
 5 1 1    4    1          1.681321       
 5 1 1    4    2          1.762225       
 5 0 0    2    1          1.791716       
 5 0 0    2    3          1.926290       
 5 1 1    5    1          1.997470       
 5 1 1    5    5          2.091671       
 5 1 1    5    3          2.125863       
 5 1 1    5    2          2.149042       
 5 1 1    5    4          2.191242       
 5 1 1    1    1          2.394224       
 5 1 1    1   15          2.430088       
 5 1 1    1    7          2.443148       
 5 1 1    1   14          2.466160       
 5 1 1    1   13          2.470848       
 5 1 1    1   11          2.495653       
 5 1 1    1    6          2.515296       
 5 1 1    1    2          2.533993       
 5 1 1    1   16          2.550477       
 5 1 1    1   17          2.562199       
 5 1 1    6    2          2.565660       
 5 1 1    1   18          2.585937       
 5 1 1    1    4          2.589272       
 5 1 1    1   12          2.611665       
 5 1 1    6    1          2.613258       
 5 1 1    1    3          2.616149       
 5 1 1    1    8          2.645887       
 5 1 1    6    3          2.684975       
 5 1 1    6    5          2.700811       
 5 1 1    6    4          2.733293       
 5 0 0    2    2          2.935882       
 5 1 1    8    1          3.181063       
 5 1 1    8    2          3.236784       
 5 1 1    8    5          3.241209       
 5 1 1    8    3          3.274539       
 5 1 1    8    4          3.340161       
 5 1 1    1   10          3.499273       
 5 1 1    1    9          3.552275       
 5 1 1    1    5          3.647977       
 0 0 0    0    0      -2081.940045
