# 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      -8.436540000     -1.246477000    -12.410487000
Cl      -8.729554000     -0.618711000    -14.653249000
Cl      -9.965756000     -2.878175000    -12.199712000
Cu     -10.781323000     -1.074175000    -13.589531000
Cl      -7.285943000      0.500308000    -11.449928000
H      -12.234162000     -1.553249000    -13.788108000
N      -10.877354000      0.626801000    -12.452879000
C      -10.318871000      1.237792000    -11.637638000
C       -9.574301000      1.898957000    -10.653362000
C       -9.965033000      3.132397000    -10.165156000
C       -9.213439000      3.778251000     -9.190270000
C       -8.044377000      3.193473000     -8.697702000
C       -7.621901000      1.970778000     -9.148375000
C       -8.409120000      1.235102000    -10.090890000
H      -10.860320000      3.589679000    -10.558638000
H       -9.529578000      4.745434000     -8.830590000
H       -7.450470000      3.712668000     -7.959670000
H       -6.712036000      1.521622000     -8.782510000
I       -9.149458000     -0.663929000     -8.948804000
*
