# Compound: H3N. Old comment:  INIT     
   1.0000000000000000     
     6.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    7.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.0000000000000000
   H    N 
     3     1
Direct
  0.6364280000000022  0.5674569999999974  0.5491645000000034
  0.5000000000000000  0.3649849999999972  0.5491329999999977
  0.3635719999999978  0.5674569999999974  0.5491645000000034
  0.5000000000000000  0.5000000000000000  0.5000000000000000

             NaN             NaN             NaN
             NaN             NaN             NaN
             NaN             NaN             NaN
             NaN             NaN             NaN
