H2O                                 
  0.529180000000000     
    12.0000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   12.0000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.0000000000000000
   O    H 
     1     2
Direct
  0.0000000000000000  0.0000000000000000  0.0000000000000000 
  0.0937992998266598 -0.1208431793169455  0.0000000000000000  
  0.0937992998266598  0.1208431793169455  0.0000000000000000 
