Sc GTH-PBE-q11
    4    6    1
     0.38500000    2     8.21490030    -0.55705910
    3
     0.36361108    2     2.64653339     3.02108393
                                       -3.90020259
     0.24389778    2    -2.63482265     7.99213715
                                       -9.45642421
     0.25320575    1    -8.16594769
