Th GTH-PBE-q30
    6   12   12
     0.24500000    2   150.17650670   -10.79015291
    4
     0.18436526    3     6.60182674    24.82667391   -17.66431486
                                      -60.78210847    45.60906486
                                                     -36.20107295
     0.20655405    3     2.90515075     1.68676545    -1.08697871
                                       -3.80546158     2.57226111
                                                      -1.82811964
     0.55016400    2     0.70703414    -0.46593421
                                        0.52831973
     0.26468612    1    -0.00859379
