Ir GTH-PBE-q9
    2    0    7
     0.64100000    1    14.58181397
    3
     0.51010474    2     3.71524999    -1.26263745
                                        1.63005794
     0.68489160    2     1.91910152    -1.89619458
                                        2.24360769
     0.47173508    2    -8.85603130     3.17025312
                                       -3.59472915
