%nprocshared=36
%mem=120GB
%oldchk=k2-IrH2PhCO2MeIMesPPh3_20_optbbt
%chk=k2-IrH2PhCO2MeIMesPPh3_20_optbbt_qzsolv
#p gfinput gfprint scf(maxcyc=500,XQC) nosymm m06l/def2qzvp integral(superfine) geom=checkpoint guess=read sp scrf(smd,solvent=chloroform)

Ir(H)2(k2-PhCO2Me)(IMes)(PPh3)

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