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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_C01_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -754.16786071; Eh | |||
 | 10-Nov-2023 | 13DNG_neut_C02_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -754.16783931; Eh | |||
 | 10-Nov-2023 | 13DNG_neut_C00_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -754.16782487; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C017_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.47957496; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C020_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48461591; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C019_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48678936; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C016_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48744673; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C018_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48584384; Eh | |||
 | 10-Nov-2023 | ETN_NO3_C015_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1558.48840040; Eh | |||
 | 10-Nov-2023 | HMX_neut_C0_OptFreq | Haack, Alexander | Orca; 5.0.4; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1197.27570135; Eh |
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