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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
14-Nov-2020	24-In-Int2	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G LANL2DZ GENECP*	-613.609319868; Eh
14-Nov-2020	24-In-Int3	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G LANL2DZ GENECP*	-613.619052439; Eh
14-Nov-2020	30-In-Int4	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G LANL2DZ GENECP*	-343.460852054; Eh
14-Nov-2020	30-Int4	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G SDD GENECP*	-908.382142047; Eh
1-Sep-2023	1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1456.6900584; Eh
1-Sep-2023	1j	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1342.1760974; Eh
1-Sep-2023	D1-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-2245.3596462; Eh
2-May-2019	H2O_m06sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM06	-	-76.375859; Eh
3-Oct-2019	gas_sp2_ts_pdph32_c_cis_M06	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RM06	6-31+G(D,P) SDD GEN	-3616.88666348; Eh
1-Sep-2023	TSCD-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1455.8877376; Eh

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