Ni GTH-PBE-q18
    4    6    8
     0.35000000    2     2.10216598     0.64848387
    3
     0.26129530    2     0.62265847     9.97022667
                                      -12.87150729
     0.22425346    2   -11.14270822    12.42956644
                                      -14.70686134
     0.21534825    1   -12.62814550
