h2                                      
           1
     6.740000    0.000000    0.000000
     0.000000    6.000000    0.000000
     0.000000    0.000000    6.000000
   H 
   2
Direct configuration=     1
   0.44510386  0.50000000  0.50000000
   0.55489614  0.50000000  0.50000000
