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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-May-2023	TMSF_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-508.38485059; Eh
3-May-2023	TMSH_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-409.24827287; Eh
3-May-2023	TMS_cation_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-408.43726258; Eh
3-May-2023	B1_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1760.63105052; Eh
3-May-2023	Bipy_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-494.31606591; Eh
3-May-2023	A3_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-801.74778930; Eh
3-May-2023	B3_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-800.56841514; Eh
3-May-2023	B3-rot-TS_MeCN_optts	Mulks, Florian	Orca; 5.0.3; RELEASE	Geometry optimization TS	DFT	-	-800.36139024; Eh
3-May-2023	DIBipy_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-800.58871884; Eh
3-May-2023	DIPy_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-554.02377075; Eh

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