%nprocshared=10
%mem=45GB
%oldchk=IrH2PhPmIMesPPh3_Ph-u_optbbt_rot2_12tst
%chk=IrH2PhPmIMesPPh3_Ph-u_optbbt_rot2_12tst_qzsolv_CHCl3
#p gfinput gfprint scf(maxcyc=500,XQC) nosymm m06l/def2qzvp integral(superfine) guess=read geom=checkpoint sp scrf(smd,solvent=chloroform)

[Ir(H)2(PhPm)(IMes)(PPh3)] Ph up rot 2

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