%nprocshared=20
%mem=90GB
%oldchk=IrH2PhPyIMesPPh3_2_08_optbbt_r_rot_8tst
%chk=IrH2PhPyIMesPPh3_2_08_optbbt_r_rot_8tst_qzsolv
#p gfinput gfprint scf(maxcyc=500,XQC) nosymm m06l/def2qzvp guess=read geom=checkpoint integral(superfine) sp scrf(smd,solvent=dichloromethane)

[Ir(H)2(PhPy)(IMes)(PPh3)]

1 1