%chk=Cu8CO01.chk %nproc=4 %mem=12MW #P B3LYP/LANL2DZ Opt(Z-Matrix,MaxCycles=900) SCF=(MaxCycles=900) nosymm Pop=Full Freq(Raman) Cu8CO01 0 1 Cu 0 -0.35613579 -0.38084450 0.51252888 Cu 0 0.87803035 -2.49356909 -0.24050278 Cu 0 1.85695065 -0.33920216 -0.77366962 Cu 0 -2.66452626 -0.22654471 -0.58352294 Cu 0 -0.54351630 -0.28761882 3.06399958 Cu 0 -1.04941503 1.52067562 -1.05507365 Cu 0 -1.72539107 -2.40513332 1.27484447 Cu 0 0.69067930 1.47057035 1.93739132 C 0 1.68348454 -4.36498257 -0.46774408 O 0 1.60545020 -4.96262620 -1.59697817