Sn GTH-PBE-q4
    2    2
     0.60500000    1     6.26678230
    3
     0.56643732    3     1.57118124     1.47004118    -1.17857669
                                       -3.81477013     3.04307193
                                                      -2.41536347
     0.64184959    2     0.52689769     0.40325781
                                       -0.47714107
     0.99087302    1     0.19876639
