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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-nchwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-727.3443837; Eh
	9-Nov-2018	/noDisp/complexes sin-nchalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1716.6863872; Eh
	9-Nov-2018	/vacuum/complexes bpincunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-620.898449727; Eh
	9-Nov-2018	/noDisp/complexes sin-inbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-292.3914867; Eh
	9-Nov-2018	/noDisp/complexes sin-ncscro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-803.89305; Eh
	9-Nov-2018	/noDisp/complexes sin-iticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1450.5978581; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-919.2358413; Eh
	9-Nov-2018	/noDisp/complexes sin-nchcunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-459.9467011; Eh
	9-Nov-2018	/noDisp/complexes sin-nchmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-423.0538946; Eh
	9-Nov-2018	/noDisp/complexes sin-nchticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1532.2970893; Eh

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