# 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      -9.857896000     -2.036024000     -9.577636000
Cl      -8.774720000     -1.421523000     -7.710717000
Cl      -8.560290000     -3.793650000    -10.199992000
Cu      -7.747456000     -3.434672000     -8.095304000
Cl      -9.248643000     -5.171485000     -5.394018000
Cl     -11.455643000     -1.835450000    -10.988555000
H       -6.827044000     -4.642550000     -7.946600000
B      -10.324194000     -6.021640000     -6.741283000
N      -11.368668000     -4.937442000     -7.239842000
H      -10.922527000     -4.123522000     -7.652187000
H      -11.972755000     -4.597477000     -6.496654000
H      -11.976765000     -5.328006000     -7.955888000
H       -9.620496000     -6.333197000     -7.663272000
H      -10.924488000     -6.929976000     -6.230778000
*
