Pd GTH-PBE-q10
    0    0   10
     0.59600000    1     5.29987401
    3
     0.59194990    2     5.30819456    -2.06237933
                                        2.66252027
     0.66628526    2     2.73458446    -1.46697005
                                        1.73574237
     0.43851839    2    -3.71978832    -0.80738825
                                        0.91549223
