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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2023 | CBN_16 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -960.47014996; Eh | |||
 | 15-Mar-2023 | CBN_14 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Single point | DLPNO-CCSD(T) | def2-TZVPP; def2-TZVPP/C | -960.47375206; Eh | |||
 | 15-Mar-2023 | CBN_70 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -966.45315561; Eh | |||
 | 15-Mar-2023 | CBN_33 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -966.45550610; Eh | |||
 | 15-Mar-2023 | CBN_38 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -966.45303537; Eh | |||
 | 15-Mar-2023 | CBN_59 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -966.45609428; Eh | |||
 | 15-Mar-2023 | CBN_30 | Ieritano, Christian | Orca; 5.0.3; RELEASE | Geometry optimization | - | def2-TZVPP | -966.45548421; Eh |
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- 238 DLPNO-CCSD(T)
- 34 DFT