Tl GTH-PBE-q3
    2    1
     0.63000000    1     1.45272083
    3
     0.78076788    3     0.37973043     1.20912802    -0.45856792
                                       -2.30683834     1.18401727
                                                      -0.93978457
     0.89705009    2    -0.02423596     0.58235582
                                       -0.68905269
     1.09379194    1     0.22764152
