%chk=Cu8CO03.chk %nproc=4 %mem=1200MW #P B3LYP/LANL2DZ Opt nosymm Pop=Full Freq(Raman) Geom=AllCheck Cu8CO03 0 1 Cu -0.10277955 -0.67606767 0.07800152 Cu 1.82206054 -2.12767270 -0.75669542 Cu 1.65373761 0.18143300 -1.57522075 Cu -2.44494501 -0.68599456 -0.95542300 Cu 0.46602602 -1.76665265 2.31316820 Cu -0.69970931 1.75204881 -0.47122680 Cu -1.44462665 -2.81902045 -0.26271121 Cu -0.04766583 0.63440184 2.27650919 C 0.43751862 -2.87382498 0.57512374 O 0.73599415 -4.08792602 0.84974754