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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Oct-2016	/K8_Ta6 def2TZVP_(no_TD-DFT)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-6571.08099584; Eh
	13-Oct-2016	/Li8_Ta6 def2TZVP_(no_TD-DFT)_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1833.15892388; Eh
	13-Oct-2016	/Li8_Ta6 Frequencies	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBE1PBE	-	-650.984849442; Eh
	19-Sep-2016	/Cs4_Nb6 Refreq	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-1852.75750803; Eh
	13-Oct-2016	/Li8_Ta6 Refreq	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBE1PBE	-	-650.984854209; Eh
	19-Sep-2016	/Cs4_Nb6 AO_contribution_analysis	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-
	19-Sep-2016	/Cs1_Ta6 TD-DFT_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1793.33940168; Eh
	19-Sep-2016	/Nb6 TD-DFT_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-1772.78616069; Eh
	13-Oct-2016	/K8_Ta6 Refreq	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-1999.02909052; Eh
	13-Oct-2016	/K8_Ta6 def2TZVP_(no_TD-DFT)_stability	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-6571.08099584; Eh

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