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Preview	Title	Author(s)	Program	Method(s)	Basis Set	Energy	Solv.	Vibr.
	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)-doublet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2352.31477172; 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)-doublet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2485.17528699; Eh
	Mossbauer-Fe(Lcyc)-quartet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2352.34608779; 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)-quartet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2485.20112384; Eh
	Mossbauer-Fe(Lcyc)-sextet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2352.34463211; 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
	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
	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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