 C N O Er
   1.0
     3.6412902500000000    0.0000000000000000    0.0000000000000000
    -1.8206451200000000    3.1534498599999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.0691370199999994
 C N O Er
   1   2   2   2
Direct
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.6529324900000000
   0.0000000000000000  0.0000000000000000  0.3470675100000000
   0.3333333300000000  0.6666666700000000  0.8977938200000000
   0.6666666700000000  0.3333333300000000  0.1022061800000000
   0.6666666700000000  0.3333333300000000  0.8239332200000000
   0.3333333300000000  0.6666666700000000  0.1760667800000000