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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/C6F5_Bpin/pCF3_PhI/large_basis_sets pCF3Ph-C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1296.9078809; Eh
	23-Sep-2022	/C6F5_Bpin/pCF3_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2361.9167901; Eh
	23-Sep-2022	/C6F5_Bpin/Bpin_real/large_basis_sets C6F5-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1139.4667233; Eh
	23-Sep-2022	/C6F5_Bpin/PhI Cu_Phen_C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1496.85187782; Eh
	23-Sep-2022	/R_PhI ptBu-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-400.341776899; Eh
	23-Sep-2022	/C6F5_Bpin/mMe_PhI/large_basis_sets Cu_Phen_C6F5_mMePhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2064.1270497; Eh
	23-Sep-2022	/C6F5_Bpin/Bpin_real/large_basis_sets TMTS_C6F5-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2008.5962086; Eh
	23-Sep-2022	/C6F5_Bpin/Bpin_real Cu_phen_F_C6F5-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-2008.06325986; Eh
	23-Sep-2022	/C6F5_Bpin/mMe_PhI/large_basis_sets C6F5Ph-mMePh	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-999.0853054; Eh
	23-Sep-2022	/C6F5_Bpin/Bpin_real TMTS_C6F5-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-2008.04676608; Eh

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