#of_B97-3c
! Opt
! Freq
! B97-3c SMD(Acetonitrile)

%geom
maxiter 200
end

%scf
maxiter 1000
end

%pal
nprocs 36 
end

*xyz 0 1
  C     -2.809553    0.193490    0.000638
  C     -1.423977    0.171107    0.001006
  C     -0.724011    1.382978    0.000503
  C     -1.418847    2.593866   -0.000968
  C     -2.798120    2.602486   -0.002007
  C     -3.489692    1.401339   -0.000920
  H     -3.364790   -0.736461    0.001475
  H     -0.859966    3.522079   -0.001677
  H     -3.331642    3.544976   -0.003459
  H     -4.573576    1.399893   -0.000854
  C      0.696682    1.426439    0.001218
  N      1.846040    1.492373    0.001941
  I     -0.427960   -1.669240    0.000191
*


