Au GTH-PBE-q11
    1    0   10
     0.59000000    1    10.51717881
    3
     0.54384733    2     5.78681103    -2.25067966
                                        2.90561495
     0.60917298    2     4.28404873    -4.07128520
                                        4.81720962
     0.43730922    2    -7.40328124     3.01019307
                                       -3.41323811
