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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
3-May-2023	Py_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-247.74829303; Eh
3-May-2023	Ph2CBipy_chelated_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pVTZ; aug-cc-pVTZ/C	-990.37855679; Eh
3-May-2023	Ph2CBipy_open_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pVTZ; aug-cc-pVTZ/C	-990.32430274; Eh
3-May-2023	A1_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pVTZ; aug-cc-pVTZ/C	-1510.41197917; Eh
3-May-2023	1_sp	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	aug-cc-pVTZ; aug-cc-pVTZ/C	-1263.64759224; Eh
3-May-2023	Ph2CBipy_chelated_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-994.27471359; Eh

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