hg1 s1
1.0
        4.1317000389         0.0000000000         0.0000000000
       -2.0658500195         3.5781571945         0.0000000000
        0.0000000000         0.0000000000         9.4450998306
   Hg    S
    3    3
Direct
     0.289999986         0.000000000         0.333333342
     0.000000010         0.290000005         0.666666683
     0.710000051         0.710000059         0.000000000
     0.574999974         0.000000000         0.833333317
    -0.000000002         0.574999970         0.166666633
     0.425000027         0.425000027         0.500000000
