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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Apr-2022 | G | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM062X | DEF2SVP | -835.937143819; Eh | |||
 | 4-Apr-2022 | I | Kojasoy, Volga | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UM062X | DEF2SVP | -129.738049405; Eh | |||
 | 2-Oct-2023 | /geo_opt 3e_core_t1 | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-311+G(D,P) | -554.152976135; Eh | |||
 | 2-Oct-2023 | /geo_opt 3k_prep_t1 | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-311+G(D,P) | -1576.65345980; Eh | |||
 | 2-Oct-2023 | /geo_opt 3l_prep_t1 | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-311+G(D,P) | -1666.62955335; Eh | |||
 | 2-Oct-2023 | /geo_opt 3m_prep_t1 | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-311+G(D,P) | -1769.36892234; Eh | |||
 | 2-Oct-2023 | /geo_opt 3d_core_t1 | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-311+G(D,P) | -798.966327834; Eh | |||
 | 2-Oct-2023 | /geo_opt 3h_prep_t1 | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-311+G(D,P) | -1588.49692625; Eh | |||
 | 2-Oct-2023 | /geo_opt 3g_prep_t1 | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-311+G(D,P) | -1476.24558390; Eh | |||
 | 2-Oct-2023 | /geo_opt 3f_prep_t1 | Mayer, Péter | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UM062X | 6-311+G(D,P) | -1359.46867584; Eh |
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