%nprocshared=20
%mem=90GB
%oldchk=IrH2PhNO22IMesPPh3_1_optbbt
%chk=IrH2PhNO22IMesPPh3_1_optbbt_qzsolv
#p gfinput gfprint scf(maxcyc=500,XQC) nosymm m06l/def2qzvp integral(superfine) guess=read geom=checkpoint sp scrf(smd,solvent=dichloromethane)

[IrH2(PhNO2)2(IMes)(PPh3)] 

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