Au GTH-PBE-q19
    3    6   10
     0.49000000    1     8.36945885
    3
     0.29008402    3    -5.98869002    26.10502137   -15.17621948
                                      -58.38556050    39.18483021
                                                     -31.10199477
     0.36150576    3    -5.87695332     4.73144606     2.92710526
                                       -0.72513863    -6.92679530
                                                       4.92291022
     0.34037313    2    -8.80458432     9.49191532
                                      -10.76282032
