 N Se Th
   1.0
     4.0056540099999998    0.0000000000000000    0.0000000000000000
    -2.0028269999999999    3.4689981300000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.1041069900000000
 N Se Th
   2   1   2
Direct
   0.3333333300000000  0.6666666700000000  0.6269293300000001
   0.6666666700000000  0.3333333300000000  0.3730706700000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.6666666700000000  0.3333333300000000  0.7048961499999999
   0.3333333300000000  0.6666666700000000  0.2951038500000000