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Preview	Title	Author(s)	Program	Method(s)	Basis Set	Energy	Solv.	Vibr.
	Fe(Lopen)(MeCN)-doublet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1344.63949228; Eh
	Fe(Lopen)(MeCN)-quartet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1344.62582785; Eh
	Fe(Lopen)(MeCN)-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1344.64177602; Eh
	Fe(Lcyc)(MeCN)-doublet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1344.61774474; Eh
	Fe(Lcyc)(MeCN)-quartet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1344.62976624; Eh
	Fe(Lcyc)(MeCN)-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1344.63704599; Eh
	Mossbauer-Fe(Lopen)(MeCN)-doublet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2485.19885151; Eh
	Mossbauer-Fe(Lopen)(MeCN)-quartet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2485.18593058; Eh
	Mossbauer-Fe(Lopen)(MeCN)-sextet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2485.20120640; Eh
	Mossbauer-Fe(Lcyc)(MeCN)-doublet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2485.17528699; Eh
	Mossbauer-Fe(Lcyc)(MeCN)-quartet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2485.20112384; Eh
	Mossbauer-Fe(Lcyc)(MeCN)-sextet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2485.19411679; Eh

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