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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
16-Jun-2023 | /GSH GSH-H_tt_199_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25097626; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_198_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24838029; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_194_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24602586; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_189_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24867687; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_188_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24543433; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_186_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23642455; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_195_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.23528142; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_191_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25485419; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_183_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.25171998; Eh | ||||
16-Jun-2023 | /GSH GSH-H_tt_180_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -1406.24115835; Eh |
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- 26 Single point