 C N O Ho
   1.0
     3.6636464499999999    0.0000000000000000    0.0000000000000000
    -1.8318232200000000    3.1728109000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.0882298299999995
 C N O Ho
   1   2   2   2
Direct
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.6525899399999999
   0.0000000000000000  0.0000000000000000  0.3474100600000000
   0.3333333300000000  0.6666666700000000  0.8977606300000001
   0.6666666700000000  0.3333333300000000  0.1022393700000000
   0.6666666700000000  0.3333333300000000  0.8235965500000000
   0.3333333300000000  0.6666666700000000  0.1764034500000000