Ac GTH-PBE-q29
    6   12   11
     0.24500000    2   169.29361550    -8.10434686
    4
     0.18169972    3    -5.60439736    37.18754496   -22.25653646
                                      -84.20917336    57.46613003
                                                     -45.61232666
     0.18759093    3    -7.64352726     7.16510286    -4.96037917
                                      -16.73613886    11.73839956
                                                      -8.34254292
     0.30637345    2     1.34627068    -1.80232651
                                        2.04364617
     0.22824512    1     0.31138755
