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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jan-2024	/C418-1 C418_1-nmr-conf-26	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9079724; Eh
	18-Jan-2024	/C418-1 C418_1-nmr-conf-14	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9097438; Eh
	18-Jan-2024	/C418-1 C418_1-nmr-conf-22	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9087802; Eh
	18-Jan-2024	/C418-1 C418_1-nmr-conf-31	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9120619; Eh
	18-Jan-2024	/C418-1 C418_1-nmr-conf-44	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.91132; Eh
	18-Jan-2024	/C418-1 C418_1-nmr-conf-37	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9103848; Eh
	18-Jan-2024	/C418-1 C418_1-nmr-conf-57	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9096526; Eh
	18-Jan-2024	/C418-1 C418_1-nmr-conf-46	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9070563; Eh
	18-Jan-2024	/C418-1 C418_1-nmr-conf-47	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9084665; Eh
	18-Jan-2024	/C418-1 C418_1-nmr-conf-55	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.909425; Eh

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