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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-May-2023	7_Py_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-554.79780919; Eh
3-May-2023	8_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-554.79325877; Eh
3-May-2023	DIDMAP_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-687.74890676; Eh
3-May-2023	C1_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-935.48771440; Eh
3-May-2023	D1-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.47590784; Eh
3-May-2023	TMSF_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-508.38485059; Eh
3-May-2023	DMAP_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-381.44884322; Eh
3-May-2023	E1-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.47669669; Eh
3-May-2023	C2-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.47498868; Eh
3-May-2023	C1-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.46367846; Eh

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