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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
3-May-2023	Py_MeCN_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-247.74829303; Eh
13-Feb-2020	/6/A6 A6	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-283.63360700; eV
13-Feb-2020	/6/C6 C6	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-288.98082574; eV
13-Feb-2020	/7/A7 A7	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-283.46004002; eV
13-Feb-2020	/6/B6 B6	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-278.89332199; eV
13-Feb-2020	/6/D6 D6	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-283.10786830; eV
3-May-2023	Ph2CBipy_chelated_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-994.27471359; Eh
3-May-2023	1_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-1266.33639039; Eh
3-May-2023	A1_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point	DFT	-	-1514.08992566; Eh
3-May-2023	DIPy_hess	Mulks, Florian	Orca; 5.0.3; RELEASE	Single point Minimum	DFT	-	-554.00056671; Eh

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