# irc_B97-3c 

! IRC 
! B97-3c SMD(Acetonitrile)

%geom
maxiter 200
end

%irc
maxiter 50
end

%scf
maxiter 1000
end

%pal
nprocs 36 
end

* xyz 0 3
  Cu    -8.232207   -2.665168  -13.587164
  Cl    -8.356592   -0.573922  -14.469992
  Cl   -10.306306   -2.684497  -12.781214
  Cu    -9.626465   -0.405474  -12.498880
  Cl    -6.290491   -3.555347  -13.806800
  H    -10.500703   -0.117439  -11.235202
  N    -10.730809    1.689942  -12.921551
  C    -10.276761    1.537817  -11.826891
  C     -9.756292    2.111439  -10.609805
  C    -10.363226    3.273518  -10.123904
  C     -9.901137    3.862864   -8.962872
  C     -8.830831    3.304011   -8.278341
  C     -8.211979    2.155579   -8.752838
  C     -8.679719    1.563251   -9.910444
  H    -11.195700    3.695384  -10.667340
  H    -10.378957    4.758366   -8.592077
  H     -8.468926    3.760131   -7.367817
  H     -7.374080    1.730092   -8.221493
  I     -7.686510   -0.161559  -10.620782
*
