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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jun-2025	/bis-PEtAm2Ph2iPr4 bis-PEtAm2Ph2iPr4_C2_2_3	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	RHF	STO-3G 3-21G 6-31G(D) 6-31+G(D)	-66.58839366; Eh
	24-Jun-2025	/bis-PEtAm2Ph2iPr4 bis-PEtAm2Ph2iPr4_PPrigidscan_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	UHF; RB3LYP	6-31+G(D) 6-31G(D)	-65.08244964; Eh
	24-Jun-2025	/bis-PEtAm2Ph2iPr4 bis-PEtAm2Ph2iPr4_C2_2_5	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	RB3LYP	6-31G(D) 6-31+G(D)	-65.08244964; Eh
	24-Jun-2025	/bis-PEtAm2Ph2iPr4 bis-PEtAm2Ph2iPr4_PPrigidscan_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	UHF	STO-3G 3-21G 6-31G(D)	-66.42563372; Eh
	24-Jun-2025	/PEtAm2Ph2iPr4_doublet PEtAm2Ph2iPr4_epr_2	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	UHF; UB3LYP	6-31+G(D) 6-31G(D)	-1464.5437579; Eh
	24-Jun-2025	/bis-PEtAm2Ph2iPr4 bis-PEtAm2Ph2iPr4_PPrigidguess_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	UHF	STO-3G	-65.41572159; Eh
	28-Jan-2026	F11	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1136.96540347661653; Eh
	28-Jan-2026	F10	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1101.05231057863421; Eh
	24-Jun-2025	/bis-PEtAm2Ph2iPr4 bis-PEtAm2Ph2iPr4_C2_2_4	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	-	-	-
	28-Jan-2026	G24	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1736.13836144431775; Eh

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