I GTH-PBE-q7
    2    5
     0.56000000    1     8.20710157
    3
     0.53192813    3     2.30814581     1.00390933    -0.95915606
                                       -2.85610882     2.47653030
                                                      -1.96568498
     0.58918244    2     0.90648219     0.42507060
                                       -0.50295032
     0.73972147    1     0.47919458
