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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Sep-2023 | 2b-opt | Phung, Quan | Orca; 5.0.4; RELEASE | Geometry optimization | DFT | DEF2-SVP; def2-TZVP | -12274.23892767; Eh | |||
 | 25-Sep-2023 | 2c-opt | Phung, Quan | Orca; 5.0.4; RELEASE | Geometry optimization | DFT | DEF2-SVP; def2-TZVP | -12030.20470998; Eh | |||
 | 25-Sep-2023 | 2a-opt | Phung, Quan | Orca; 5.0.4; RELEASE | Geometry optimization | DFT | DEF2-SVP; def2-TZVP | -10444.13735624; Eh |
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