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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-nhcrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-717.9086564; Eh
	9-Nov-2018	/vacuum/complexes fenilno2fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1480.55960380; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcpdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1040.8807347; Eh
	9-Nov-2018	/vacuum/complexes fenilno2cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-803.036287478; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-860.1361282; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2839.5777678; Eh
	9-Nov-2018	/noDisp/complexes sin-ofeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-652.4195925; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1849.4917522; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-803.5394625; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-675.3067765; Eh

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