%chk=Cu8CO02.chk %nproc=4 %mem=12MW #P B3LYP/LANL2DZ Opt(Z-Matrix,MaxCycles=900) SCF=(MaxCycles=900) nosymm Pop=Full Freq(Raman) Cu8CO02 0 1 Cu -0.08946452 -0.57515861 0.30727755 Cu 1.97216855 -2.01281449 -0.18226372 Cu 1.66771493 0.00156467 -1.46290039 Cu -2.35401599 -0.84957392 -0.85475605 Cu 0.40632636 -1.17527551 2.74609796 Cu -0.71881031 1.71370275 -0.65124700 Cu -1.45852841 -2.73886970 0.33650764 Cu -0.17129508 1.15706879 2.19049034 C 0.43831579 -3.37011604 -0.11417805 O 0.68319926 -4.61980333 -0.24375528