%chk=SiW11Fe-S5-NH2-OH.chk
%nprocshared=24
%mem=8GB
#p opt=(maxstep=1,gdiis) guess=read geom=check freq iop(5/13=1) PBE1PBE/gen EmpiricalDispersion=GD3 scrf=(solvent=water,PCM) scf=(maxcycle=300) pseudo=read test

a

-6 5

O N Si H 0 
6-31G(d,p)
****
W Fe  0
LANL2DZ 
****

W  Fe   0
LANL2DZ



