0 0 2

 modelitzacio d'acetonitril com solvent CH3CN
c3n.res
C3N INT 0
CHANGE  NOMIT DU BEG
 0.000000
 1 DUMM DU M       -5.298       3.870      -0.861     0.000000
 2 DUMM DU M       -5.925       3.000      -0.328     0.000000      
 3 DUMM DU M       -5.298      -3.870      -0.861     0.000000
 4 N1   YN M        0.314       1.215      -0.429    -0.489715
 5 C2   YC M        1.223       0.576      -0.198     0.382240
 6 C3   CT M        2.399      -0.250       0.102    -0.236648
 7 H4   HC E        2.688      -0.801      -0.783     0.114711
 8 H5   HC E        3.217       0.385       0.414     0.114711
 9 H6   HC E        2.159      -0.945       0.896     0.114711




DONE
STOP