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Preview	Title	Author(s)	Program	Method(s)	Basis Set	Energy	Solv.	Vibr.
	Fe(Lcyc)(MeCN)2-doublet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1477.42483131; Eh
	Fe(Lcyc)(MeCN)2-quartet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1477.41250925; Eh
	Fe(Lcyc)(MeCN)2-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1477.42367459; Eh
	Mossbauer-Fe(Lcyc)(MeCN)2-doublet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2618.02818541; Eh
	Mossbauer-Fe(Lcyc)(MeCN)2-quartet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2618.02049860; Eh
	Mossbauer-Fe(Lcyc)(MeCN)2-sextet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2618.02658114; Eh
	Fe(Lopen)(MeCN)2-quartet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1477.39184536; Eh
	Fe(Lopen)(MeCN)2-doublet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1477.40562609; Eh
	Fe(Lopen)(MeCN)2-sextet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	UB3LYP	6-31+G(D) GENECP	-1477.40771264; Eh
	Mossbauer-Fe(Lopen)(MeCN)2-doublet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2618.00971448; Eh
	Mossbauer-Fe(Lopen)(MeCN)2-quartet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2617.99910148; Eh
	Mossbauer-Fe(Lopen)(MeCN)2-sextet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2618.00388480; Eh

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