Th GTH-PBE-q12
    4    6    2
     0.49000000    2    49.55786674    -4.67207708
    4
     0.47719227    3    -1.54609024     0.60552239     0.52950749
                                        0.07951795    -1.36718245
                                                       1.08516743
     0.40325107    3     4.23867639    -8.43955358     4.30258971
                                       17.14897015   -10.18178561
                                                       7.23624912
     0.76746894    2     0.21347167     0.59047854
                                       -0.66953973
     0.32932562    1   -16.52656902
