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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	P2_OIA_3_Ph3P+_PPh3+_C36H30P2_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2067.43986461456052; Eh
	28-Feb-2026	P2_OIA_3_Ph3PO_C18H15OP_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1109.08845434257978; Eh
	28-Feb-2026	P2_OIA_2_OIA2_CF3SO2_anion_reagent_gas_CF3O2S_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-884.88990484196779; Eh
	28-Feb-2026	P2_OIA_3_Ph3P+_PPh3+_C36H30P2_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-2068.25041869824872; Eh
	28-Feb-2026	P2_OIA_3_Ph3P+_PPh3+_C36H30P2_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-2068.25040777056893; Eh
	28-Feb-2026	P2_OIA_3_Ph3PO_C18H15OP_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-1109.47892124294822; Eh
	28-Feb-2026	P2_OIA_3_Ph3PO_C18H15OP_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	-	-1109.47884552573692; Eh
	28-Feb-2026	P2_OIA_3_PPh3_C18H15P_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 6.0.1; RELEASE	Single point Minimum	DFT	-	-1034.37648605546678; Eh
	10-Oct-2024	/Principal_dataset/3j 3j-f-anion_methanol__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-2172.99350454; Eh
	10-Oct-2024	/Principal_dataset/3k 3k-f-cation_dmso__TDDFT	Nesterov, Dmytro	Orca; 5.0.4; RELEASE	Single point	TDDFT	aug-cc-pVDZ; AutoAux	-1852.86715064; Eh

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