%nprocshared=20
%mem=90GB
%oldchk=IrH2CHCl3PhCO2MeIMesPPh3_41_optbbt_r
%chk=IrH2CHCl3PhCO2MeIMesPPh3_41_optbbt_r_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(CHCl3)(PhCO2Me)(IMes)(PPh3)

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