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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Nov-2023 | 13DNG_neut_C03_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -754.16794892; Eh | |||
 | 10-Nov-2023 | DEGDN_neut_C04_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -793.50180932; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C000_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48610816; Eh | |||
 | 10-Nov-2023 | ETN_neut_C001_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91143721; Eh | |||
 | 10-Nov-2023 | 1NG_neut_C00_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -549.59122569; Eh | |||
 | 10-Nov-2023 | DEGDN_neut_C02_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -793.50118630; Eh | |||
 | 10-Nov-2023 | ETN_neut_C012_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.91148263; Eh | |||
 | 10-Nov-2023 | ETN_neut_C010_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1277.90863415; Eh | |||
 | 10-Nov-2023 | Tetryl_neut_C3_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1145.54660337; Eh | |||
 | 10-Nov-2023 | NG_NO3_C00_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1239.30788354; Eh |
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