# 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      -7.611339000     -2.030589000    -11.348986000
Cl      -7.746359000     -1.953545000    -13.651680000
Cl      -9.716949000     -1.522088000    -10.890573000
Cu      -9.230362000     -0.204076000    -13.010073000
Cl      -5.630770000     -2.622566000    -10.723065000
H      -11.233196000      2.768246000    -11.502285000
N      -10.269583000      1.378597000    -12.599369000
C      -10.371916000      2.098741000    -11.558716000
C       -9.511461000      2.129251000    -10.384267000
C      -10.093541000      2.577305000     -9.193076000
C       -9.384172000      2.592091000     -8.007189000
C       -8.059347000      2.183613000     -7.992751000
C       -7.443717000      1.765853000     -9.165225000
C       -8.169780000      1.745295000    -10.340251000
H      -11.126282000      2.897361000     -9.212460000
H       -9.862040000      2.927723000     -7.098042000
H       -7.491074000      2.194150000     -7.073427000
H       -6.407270000      1.463813000     -9.156866000
I       -7.119267000      1.182318000    -12.078553000
N      -12.291323000      1.447829000    -14.214451000
H      -12.993608000      1.977353000    -13.711917000
H      -12.090493000      1.931727000    -15.080892000
B      -12.625457000     -0.024498000    -14.341586000
H      -13.040475000     -0.486928000    -13.312171000
Cl     -10.823010000     -0.970932000    -14.642470000
H      -13.219163000     -0.362419000    -15.336592000
H      -11.135601000      1.495924000    -13.364333000
*
