# 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    -8.586582   -2.998210  -13.108325
Cl    -9.716395   -1.050061  -13.593455
Cl    -7.010247   -2.255554  -11.705895
Cu    -8.198854   -0.295994  -12.096442
Cl    -9.457340   -4.687849  -14.131602
H     -9.004201    0.511338  -10.921803
N     -9.711940    3.433979  -13.416365
C     -9.627159    3.176835  -12.287650
C     -9.549922    2.861060  -10.916536
C    -10.577055    3.246333  -10.056580
C    -10.518068    2.929793   -8.710805
C     -9.423650    2.234702   -8.201547
C     -8.395105    1.832354   -9.028199
C     -8.492770    2.064720  -10.406170
H    -11.409445    3.807416  -10.454822
H    -11.315824    3.243282   -8.053745
H     -9.363759    2.019053   -7.144248
H     -7.545119    1.296066   -8.636246
I     -6.704528    1.839769  -11.589918
*
