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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-May-2023	A1-TS_optts_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization TS	DFT	-	-1514.08078724; Eh
3-May-2023	A3-TS_optts_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	-	-1514.09069020; Eh
3-May-2023	1_gas_phase_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1266.26398030; Eh
3-May-2023	A2-TS_optts_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization TS	DFT	-	-801.73316872; Eh
3-May-2023	7_Py_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-554.72980421; Eh
3-May-2023	TMU_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-381.69598865; Eh
3-May-2023	6_Py_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-653.79523581; Eh
3-May-2023	DIPy_gas_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-553.75458891; Eh
3-May-2023	D1_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-935.51181090; Eh
3-May-2023	DIDMAP_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-687.74890676; Eh

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