| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/basis/ |
| H A D | SVP+Diffuse(Dunning-Hay) | 61 $ BERYLLIUM (9s,5p) -> [3s,2p]
62 $ BERYLLIUM (1d)
63 $ BERYLLIUM Diffuse (1p)
|
| H A D | GAMESS-PVTZ | 28 $ BERYLLIUM (10s,5p) -> [5s,3p]
29 $ BERYLLIUM (1d)
|
| H A D | 6-311++G** | 89 $ BERYLLIUM (12s,6p,1d) -> [5s,4p,1d]
90 $ BERYLLIUM (11s,5p)->[4s,3p]
91 $ BERYLLIUM (1d)
92 $ BERYLLIUM (1s,1p)
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| H A D | 6-311++G(2d,2p) | 92 $ BERYLLIUM (12s,6p,2d) -> [5s,4p,2d]
93 $ BERYLLIUM (11s,5p)->[4s,3p]
94 $ BERYLLIUM (2d)
95 $ BERYLLIUM (1s,1p)
|
| H A D | 6-311+G* | 83 $ BERYLLIUM (12s,6p,1d) -> [5s,4p,1d]
84 $ BERYLLIUM (11s,5p)->[4s,3p]
85 $ BERYLLIUM (1d)
86 $ BERYLLIUM (1s,1p)
|
| H A D | SVP(Dunning-Hay) | 52 $ BERYLLIUM (9s,5p) -> [3s,2p]
53 $ BERYLLIUM (1d)
|
| H A D | 6-311G(2df,2pd) | 91 $ BERYLLIUM (11s,5p,2d,1f) -> [4s,3p,2d,1f]
92 $ BERYLLIUM (11s,5p)->[4s,3p]
93 $ BERYLLIUM (2d,1f)
|
| H A D | 6-311++G(3df,3pd) | 106 $ BERYLLIUM (12s,6p,3d,1f) -> [5s,4p,3d,1f]
107 $ BERYLLIUM (11s,5p)->[4s,3p]
108 $ BERYLLIUM (3d,1f)
109 $ BERYLLIUM (1s,1p)
|
| H A D | 3-21++G | 61 $ BERYLLIUM (7s,4p) -> [4s,3p]
62 $ BERYLLIUM (6s,3p)->[3s,2p]
63 $ BERYLLIUM (1s,1p)
|
| H A D | Turbomole-TZP | 56 $ BERYLLIUM (10s) -> [6s]
57 $ BERYLLIUM (2p)
|
| H A D | 6-31++G* | 83 $ BERYLLIUM (11s,5p,1d) -> [4s,3p,1d]
84 $ BERYLLIUM (1s,1p)
85 $ BERYLLIUM (1d)
|
| H A D | 6-31++G** | 89 $ BERYLLIUM (11s,5p,1d) -> [4s,3p,1d]
90 $ BERYLLIUM (1s,1p)
91 $ BERYLLIUM (1d)
|
| H A D | 6-31+G* | 78 $ BERYLLIUM (11s,5p,1d) -> [4s,3p,1d]
79 $ BERYLLIUM (1s,1p)
80 $ BERYLLIUM (1d)
|
| H A D | aug-cc-pCVDZ | 94 $ BERYLLIUM (9s,4p,1d)->[3s,2p,1d]
95 $ BERYLLIUM (1s,1p)
96 $ BERYLLIUM (1s,1p,1d)
|
| H A D | 6-31+G | 63 $ BERYLLIUM (10s,4p) -> [3s,2p]
64 $ BERYLLIUM (1s,1p)
|
| H A D | aug-cc-pCVTZ | 132 $ BERYLLIUM (11s,5p,2d,1f)->[4s,3p,2d,1f]
133 $ BERYLLIUM (2s,2p,1d)
134 $ BERYLLIUM (1s,1p,1d,1f)
|
| /dports/science/ergo/ergo-3.8/basis/ |
| H A D | 6-311+Gs | 89 $ BERYLLIUM (11s,5p) -> [4s,3p]
90 $ BERYLLIUM (1d)
91 $ BERYLLIUM (Diffuse sp)
|
| H A D | 6-311++Gss | 93 $ BERYLLIUM (11s,5p) -> [4s,3p]
94 $ BERYLLIUM (1d)
95 $ BERYLLIUM (Diffuse sp)
|
| H A D | GAMESS-PVTZ | 28 $ BERYLLIUM (10s,5p) -> [5s,3p]
29 $ BERYLLIUM (1d)
|
| H A D | 6-31++Gs | 77 $ BERYLLIUM (10s,4p) -> [3s,2p]
78 $ BERYLLIUM (Diffuse sp)
79 $ BERYLLIUM (1d)
|
| H A D | 6-31++Gss | 79 $ BERYLLIUM (10s,4p) -> [3s,2p]
80 $ BERYLLIUM (Diffuse sp)
81 $ BERYLLIUM (1d)
|
| H A D | Turbomole-TZP | 56 $ BERYLLIUM (10s) -> [6s]
57 $ BERYLLIUM (2p)
|
| H A D | 3-21++G | 60 $ BERYLLIUM (6s,3p) -> [3s,2p]
61 $ BERYLLIUM (Diffuse sp)
|
| H A D | 6-31+G | 66 $ BERYLLIUM (10s,4p) -> [3s,2p]
67 $ BERYLLIUM (Diffuse sp)
|
| H A D | 6-311Gss | 78 $ BERYLLIUM (11s,5p,1d) -> [4s,3p,1d]
79 $ BERYLLIUM (11s,5p)->[4s,3p]
80 $ BERYLLIUM (1d)
|