next up previous contents index
Next: File basis Up: NO2 input for an Previous: Main File control   Contents   Index

File coord

$coord
     .00000000000000       .00000000000000     -1.00494155217173      n
    1.85766051386774       .00000000000000       .50247077608587      o
   -1.85766051386774       .00000000000000       .50247077608587      o
$intdef
# definitions of internal coordinates
   1 k  1.0000000000000 stre    2    1           val=   2.39232
   2 d  1.0000000000000 stre    3    1           val=   2.39232
   3 k  1.0000000000000 bend    2    3    1      val= 101.88429
$end



TURBOMOLE M