c1 h1 n1                                
   1.00000000000000     
     4.0435108118201306    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.6862966389675016    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.3709277915271691
   C    H    N 
     2     2     2
Direct
  0.0000000000000000  0.0000000000000000  0.0031022188644343
  0.5000000000000000  0.5000000000000000  0.5031022188644343
  0.0000000000000000  0.0000000000000000  0.7568271776114770
  0.5000000000000000  0.5000000000000000  0.2568271776114841
  0.0000000000000000  0.0000000000000000  0.2677705565240842
  0.5000000000000000  0.5000000000000000  0.7677705565240984
