# 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       1.940262000      2.972128000     -1.326891000
Cl       2.203568000      1.360014000      0.173035000
Cl      -0.343261000      3.165607000     -1.337476000
Cu      -0.212285000      1.397736000      0.111903000
Cl       2.841503000      4.375294000     -2.699710000
Cl      -1.056068000      0.669846000      2.036076000
B       -1.472335000     -1.693599000      0.387147000
N       -0.043817000     -2.159998000      0.676987000
H        0.645470000     -1.763628000      0.040901000
H        0.007510000     -3.175766000      0.555609000
H       -2.252741000     -1.791708000      1.264331000
H       -1.767091000     -1.589504000     -0.752478000
H        0.263596000     -1.971040000      1.628709000
H       -0.754310000      0.204619000     -0.758142000
*
