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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Jan-2023 | Aniline_H2O_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -364.67462241; Eh | |||
 | 17-Jan-2023 | Aniline_H2O_0_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -288.16982713; Eh | |||
 | 17-Jan-2023 | Aniline_H2O_3_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -517.67428733; Eh | |||
 | 17-Jan-2023 | Aniline_H2O_2_c_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -441.17313936; Eh | |||
 | 17-Jan-2023 | Aniline_H2O_3_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -517.67436837; Eh | |||
 | 17-Jan-2023 | Aniline_H2O_2_b_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -441.17256263; Eh | |||
 | 17-Jan-2023 | H_H2O_3_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -229.80008153; Eh | |||
 | 17-Jan-2023 | H_H2O_4_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -306.27088240; Eh | |||
 | 17-Jan-2023 | H_H2O_2_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -153.27008689; Eh | |||
 | 17-Jan-2023 | H_H2O_1_a_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -76.75287160; Eh |
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