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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2023	/NBO7 dpip_Cu2_OH_TFA3_triplet_NBO7	Ieritano, Christian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	DEF2TZVPP	-5826.106907; Eh
	5-May-2023	/NBO7 bpnp_Cu2_OH_TFA3_triplet_NBO7	Ieritano, Christian	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	DEF2TZVPP	-5848.1894839; Eh
	9-Oct-2023	H3Ni4(0e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7855.11509186; Eh
	9-Oct-2023	H3Ni4(2e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7855.33970453; Eh
	9-Oct-2023	H2Ni4(2e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7854.83994669; Eh
	9-Oct-2023	H2Ni4(0e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7854.64661356; Eh
	9-Oct-2023	HNi4(0e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7854.16299176; Eh
	9-Oct-2023	Ni4(0e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7853.67551210; Eh
	9-Oct-2023	H4Ni4(2e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7855.82806177; Eh
	9-Oct-2023	H2Ni4(3e)	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Structure	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-7854.91278931; Eh

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