%nprocshared=20
%mem=90GB
%oldchk=IrH2PhPy2IMesPPh3_2_13_optbbt_r
%chk=IrH2PhPy2IMesPPh3_2_13_optbbt_r_qzsolv
#p gfinput gfprint scf(maxcyc=500,XQC) nosymm m06l/def2qzvp integral(superfine) guess=read geom=checkpoint sp scrf(smd,solvent=dichloromethane)

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

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