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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2020	Mossbauer-Fe(Lcyc)(MeCN)2-sextet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	Single point	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2618.02658114; Eh
	30-Sep-2020	Mossbauer-Fe(Lcyc)-quartet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	Single point	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2352.34608779; Eh
	30-Sep-2020	Mossbauer-Fe(Lcyc)-sextet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	Single point	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2352.34463211; Eh
	30-Sep-2020	Mossbauer-Fe(Lopen)(MeCN)-doublet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	Single point	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2485.19885151; Eh
	30-Sep-2020	Mossbauer-Fe(Lopen)(MeCN)-quartet	Fondevila, Adiran J. De Aguirre	Orca; 4.0.1.2; RELEASE	Single point	DFT	def2-TZVPP; Autoaux; CP(PPP)	-2485.18593058; Eh
	30-May-2021	/benchmarking/DLPNO-CCSDT-cc-pVTZ Nidppf2	Nelson, David	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; cc-pVTZ/C	-8002.78970376; Eh
	30-May-2021	/benchmarking/DLPNO-CCSDT-cc-pVTZ dppf	Nelson, David	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; cc-pVTZ/C	-3248.06564033; Eh
	30-May-2021	/benchmarking/DLPNO-CCSDT-cc-pVTZ COD	Nelson, David	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; cc-pVTZ/C	-309.99804789; Eh
	30-May-2021	/benchmarking/DLPNO-CCSDT-cc-pVTZ NiCODdppf	Nelson, David	Orca; 4.2.1; RELEASE	Single point	DLPNO-CCSD(T)	cc-pVTZ; cc-pVTZ/C	-5064.75703004; Eh

Results 71-79 of 79 (Search time: 0.002 seconds).