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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jan-2024	/C418-2 C418_2-nmr-conf-30	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9088514; Eh
	18-Jan-2024	/C418-2 C418_2-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)	-1378.9026593; Eh
	18-Jan-2024	/C418-2 C418_2-opt-freq-conf-20	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9040509; Eh
	18-Jan-2024	/C418-2 C418_2-nmr-conf-53	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9067812; Eh
	18-Jan-2024	/C418-2 C418_2-nmr-conf-48	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RmPW1PW91	6-31+G(D,P) 6-311+G(2D,P)	-1378.9108742; Eh
	18-Jan-2024	/C418-2 C418_2-opt-freq-conf-15	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31+G(D,P)	-1379.01589584; Eh
	18-Jan-2024	/C418-2 C418_2-opt-freq-conf-07	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31+G(D,P)	-1379.01592469; Eh
	18-Jan-2024	/C418-2 C418_2-opt-freq-conf-17	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31+G(D,P)	-1379.01663221; Eh
	18-Jan-2024	/C418-2 C418_2-opt-freq-conf-23	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31+G(D,P)	-1379.01302709; Eh
	18-Jan-2024	/C418-2 C418_2-opt-freq-conf-24	Ross, Alicia	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31+G(D,P)	-1379.01569665; Eh

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