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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	Se_37_P_1_37_F_P_1_37_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3441.47112529; Eh
	28-Feb-2026	Se_37_P_1_37_O_P_1_37_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3317.14342012; Eh
	28-Feb-2026	Se_37_P_1_37_F_P_1_37_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3441.00624139; Eh
	28-Feb-2026	Se_37_P_1_37_O_P_1_37_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3316.72675467; Eh
	28-Feb-2026	Se_37_P_1_37_F_P_1_37_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3441.00636601; Eh
	28-Feb-2026	Se_37_P_1_37_F_1_P_1_37_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3341.08736499; Eh
	28-Feb-2026	Se_37_P_1_37_O_P_1_37_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3316.72673219; Eh
	28-Feb-2026	Se_37_R_1_37_R_1_37_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3240.99340414; Eh
	28-Feb-2026	Se_7_P_1_7_F_1_P_1_7_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2600.40234364; Eh
	28-Feb-2026	Se_7_P_1_7_F_P_1_7_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2700.40834750; Eh

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