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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_tc_061_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.24239932; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_ct_013_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.23136158; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_196_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.21154949; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_199_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.20282376; Eh | |||
 | 19-Jun-2023 | /AAA AAA-H_tt_012_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -819.34742835; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_273_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.20559179; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_ct_232_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22437997; Eh | |||
 | 19-Jun-2023 | /YGG YGG-H_tc_020_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1047.13183481; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_ct_286_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.24094987; Eh | |||
 | 19-Jun-2023 | /YGG YGG-H_cc_120_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1047.13183507; Eh |
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