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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/OATS/large_basis_sets mOMe-mCOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1795.6885593; Eh
	23-Sep-2022	/OATS/large_basis_sets mF-pOMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1742.2564083; Eh
	23-Sep-2022	/OATS/large_basis_sets mF-pCl	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2087.3209626; Eh
	23-Sep-2022	/OATS/large_basis_sets mF-mMe	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1667.0258481; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNMe2_PhI Cu_Phen_pNO2PhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1582.38742257; Eh
	23-Sep-2022	/pNO2Ph_Bpin/pNMe2_PhI Cu_Phen_pNO2Ph_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1582.28224326; Eh
	23-Sep-2022	/pNMe2_Bpin/pOMe_PhI Cu_Phen_pNMe2Ph-pOMePh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1492.40471610; Eh
	23-Sep-2022	/pNMe2_Bpin/pOMe_PhI Cu_Phen_pNMe2Ph_pOMePhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1492.29109897; Eh
	23-Sep-2022	/pNMe2_Bpin/PhI/large_basis_sets Cu_Phen_pNMe2Ph_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1662.466401; Eh
	23-Sep-2022	/pNMe2_Bpin/pOMe_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1776.9946089; Eh

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