%nprocshared=4 %mem=8000MB #p wb97xd/genecp scrf=(solvent=toluene,smd) nosymm scf(xqc,maxcycle=150) Title Card Required 0 1 O 1.14859000 0.27911300 0.09029100 O 2.09747200 0.36901800 -1.90139000 C 2.16777600 0.30396900 -0.55333500 C 3.55888200 0.27130400 0.03080900 H 3.49645200 0.21326200 1.11775800 H 4.11278700 -0.59727300 -0.34345600 H 4.11254000 1.17534900 -0.24845400 H 2.98270000 0.38132800 -2.29525600 -C -H -O -P -Cl 6-311++g** ****