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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/Ph_Bpin/PhI/large_basis_sets Cu_phen_Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1000.9128682; Eh
	23-Sep-2022	/pF_Bpin/pNO2_PhI pFPh_pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G GEN*	-767.061838813; Eh
	23-Sep-2022	/pF_Bpin/PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1342.98640458; Eh
	23-Sep-2022	/pF_Bpin/PhI pFPh-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-562.556183950; Eh
	23-Sep-2022	/pCF3_Bpin/PhI/large_basis_sets Cu_Phen_F_pCF3PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1692.1197416; Eh
	23-Sep-2022	/pCF3_Bpin/pNMe2_PhI Cu_Phen_pCF3Ph_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1714.81263672; Eh
	23-Sep-2022	/pCF3_Bpin/pNMe2_PhI Cu_Phen_pCF3PhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1714.91954190; Eh
	23-Sep-2022	/pCF3_Bpin/PhI/large_basis_sets Cu_Phen_pCF3PhPh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1865.7151679; Eh
	23-Sep-2022	/pCF3_Bpin/PhI/large_basis_sets Cu_Phen_pCF3Ph_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1865.613456; Eh
	23-Sep-2022	/pCF3_Bpin/PhI/large_basis_sets Cu_Phen_pCF3Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1338.0717273; Eh

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