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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
17-Apr-2023 | W12-1b-m11freq | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM11 | 6-311++G(D,P) | -1616.59716460; Eh | ||||
17-Apr-2023 | W12-2-m11freq | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM11 | 6-311++G(D,P) | -1616.59361912; Eh | ||||
17-Apr-2023 | W12-1a-m11freq | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM11 | 6-311++G(D,P) | -1616.59716653; Eh | ||||
17-Apr-2023 | W12-1c-m11freq | Ohanessian, Gilles | Gaussian; 09; AS64L-G09RevD.01 | Geometry optimization Minimum | RM11 | 6-311++G(D,P) | -1616.59701743; Eh |
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