Ru GTH-PBE-q16
    3    6    7
     0.43000000    2    26.83239104    -5.05049720
    3
     0.34135508    2    -0.55504091     3.71548964
                                       -4.79667650
     0.42827085    2     0.10677508    -1.27757181
                                        1.51164335
     0.43814779    2     1.50921742    -2.94305440
                                        3.33711002
