Ga GTH-PBE-q3
    2    1
     0.56000000    0
    3
     0.56586645    3     2.21575051     1.03244793    -0.76062946
                                       -2.57004845     1.96393682
                                                      -1.55882652
     0.64671613    2     0.31122394     0.61341605
                                       -0.72580366
     0.99942484    1     0.08951951
