#of_B97-3c
! OptTS
! Freq
! B97-3c SMD(Acetonitrile)

%geom
	maxiter 200
	Calc_Hess true
	TS_Mode {B 4 13} end
	TS_Active_Atoms { 0 4 13 } end
end

%scf
	maxiter 1000
end

%pal
	nprocs 36
end

* xyz 0 3
Cu      -8.358502000     -1.098607000    -12.497219000
Cl      -8.869665000     -0.283254000    -14.647010000
Cl      -9.700804000     -2.890266000    -12.389905000
Cu     -10.793302000     -1.061087000    -13.546005000
Cl      -7.305491000      0.580911000    -11.391391000
H      -12.191654000     -1.692422000    -13.705686000
N      -11.044239000      0.511757000    -12.255240000
C      -10.446612000      1.145576000    -11.484659000
C       -9.650058000      1.836910000    -10.566884000
C       -9.904262000      3.157806000    -10.250724000
C       -9.101817000      3.836698000     -9.341326000
C       -8.022122000      3.186641000     -8.731898000
C       -7.725874000      1.884175000     -9.018991000
C       -8.515201000      1.131969000     -9.964703000
H      -10.744622000      3.652723000    -10.714104000
H       -9.318535000      4.867463000     -9.106250000
H       -7.410122000      3.716938000     -8.016577000
H       -6.893496000      1.382590000     -8.550901000
I       -9.163156000     -0.757975000     -9.028028000
*
