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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-May-2023	1_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1266.26398030; Eh
3-May-2023	7_OTf_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1267.10376449; Eh
3-May-2023	triflate_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-959.99081983; Eh
3-May-2023	7_TMU_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-688.73433929; Eh
3-May-2023	6_Py_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-653.86158122; Eh
3-May-2023	7_Py_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-554.79780919; Eh
3-May-2023	TMU_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-381.70559668; Eh
3-May-2023	8_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-554.79325877; Eh
3-May-2023	TMSF_ex34_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-508.38483979; Eh
3-May-2023	TMSH_ex34_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-409.24828470; Eh

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