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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Jun-2022 | YbB6_RHF | Petersen, Thorben | Orca; 5.0.3; RELEASE | Single point | RHF | CC-PVQZ | -153.56587464; Eh | |||
 | 30-Jun-2022 | CaB6_RHF | Petersen, Thorben | Orca; 5.0.3; RELEASE | Single point | RHF | CC-PVQZ | -152.50242481; Eh | |||
 | 30-Jun-2022 | YbB6_CAS+MRCI | Petersen, Thorben | Orca; 5.0.3; RELEASE | Single point | CASSCF; casscf; mrci | CC-PVQZ; AUTOAUX | - | |||
 | 30-Jun-2022 | CaB6_CAS+MRCI | Petersen, Thorben | Orca; 5.0.3; RELEASE | Single point | CASSCF; casscf; mrci | CC-PVQZ; AUTOAUX | - |
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