 H Na S
   1.0
     4.4028902199999997    0.0000000000000000    0.0000000000000000
    -2.2014451099999999    3.8130147800000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.7550488800000004
 H Na S
   3   3   3
Direct
   0.3333333300000000  0.6666666700000000  0.8127869900000000
   0.0000000000000000  0.0000000000000000  0.1461203200000000
   0.6666666700000000  0.3333333300000000  0.4794536600000000
   0.3333333300000000  0.6666666700000000  0.1661114200000000
   0.0000000000000000  0.0000000000000000  0.4994447600000000
   0.6666666700000000  0.3333333300000000  0.8327780900000000
   0.3333333300000000  0.6666666700000000  0.6571016000000001
   0.0000000000000000  0.0000000000000000  0.9904349300000000
   0.6666666700000000  0.3333333300000000  0.3237682700000000