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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Oct-2023 | /functional_selection/energy_calc s1_energy_m062x_3a | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X; TD-FC | GEN | -1155.1439916; Eh | |||
 | 2-Oct-2023 | /functional_selection/energy_calc s0_energy_m062x_3h | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | GEN | -1588.7175388; Eh | |||
 | 2-Oct-2023 | /functional_selection geo_opt_m062x_3f | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -1359.50394928; Eh | |||
 | 2-Oct-2023 | /geo_opt 3h_prep_s0 | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -1588.53059076; Eh |
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- 5 TD-FC