#p opt freq um06l/gen/auto pseudo=read scf=(xqc,intrep,maxconventionalcycle=350) Checking optimization 0 1 Mo 0.04100 0.13300 0.02500 S 1.82600 0.71900 1.73500 S 3.47900 1.12500 -1.62900 S -1.43000 1.30300 1.75300 S -3.03400 2.27500 -1.50900 S -0.25600 -1.69100 1.78100 S -0.65300 -3.57200 -1.65100 S -1.65100 -0.56900 -1.69800 S -3.31200 -1.23000 1.82400 S 1.32100 -1.14800 -1.72600 S 2.79400 -2.29600 1.73400 S 0.32600 2.04300 -1.59600 S 0.64700 3.71300 1.34800 Mo 0.96100 -2.69000 0.03100 S 1.16500 -5.01800 0.77100 S 2.40700 -4.51700 -0.77500 Mo -1.77900 -2.15000 0.03900 S -3.03600 -4.22400 0.67200 S -3.88200 -3.15200 -0.82800 Mo -2.84200 0.47100 0.03100 S -5.24500 1.00900 0.59500 S -5.02400 -0.32700 -0.89700 Mo -1.36700 2.78600 -0.05200 S -2.44700 4.65100 0.95300 S -1.59000 5.13100 -0.83600 Mo 2.18800 2.16600 -0.05900 S 3.90700 3.45800 0.92900 S 3.25800 4.28200 -0.82900 Mo 2.80200 -0.52100 -0.03100 S 5.29900 -0.42700 0.65200 S 4.81700 -1.78300 -0.84800 H 0.84200 4.80200 0.57200 H 3.65700 -3.16100 1.13700 H -4.46500 -1.71600 1.29800 H -0.85800 -4.77200 -1.04500 H 5.60400 0.66700 -0.10600 H 4.73300 3.57200 1.93900 @/zfs/curium/rrabban/basis_set/pom/H.gbs **** @/zfs/curium/rrabban/basis_set/pom/S.gbs **** @/zfs/curium/rrabban/basis_set/pom/Mo.gbs ****