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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-May-2023	7_DMAP_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-688.44848024; Eh
3-May-2023	6_OTf_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1366.18077487; Eh
3-May-2023	TMS_cation_ex34_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-408.43735130; Eh
3-May-2023	4_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-406.10575857; 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	C1-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.46367846; Eh
3-May-2023	C2-TS_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-935.47498868; Eh
3-May-2023	Py_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-247.74829303; Eh
3-May-2023	6_OTf_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1366.17196147; Eh

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