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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_5_P_1_5_F_1_P_1_5_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2770.78446765; Eh
	28-Feb-2026	Se_4_R_1_4_R_1_4_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2631.36589776; Eh
	28-Feb-2026	Se_9_P_1_9_F_1_P_1_9_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2639.63085851; Eh
	28-Feb-2026	Se_8_P_1_8_O_P_1_8_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2675.21604497; Eh
	28-Feb-2026	Se_8_R_1_8_R_1_8_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2599.08893051; Eh
	28-Feb-2026	Se_9_P_1_9_F_1_P_1_9_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2639.25248662; Eh
	28-Feb-2026	Se_9_P_1_9_F_P_1_9_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2739.22562203; Eh
	28-Feb-2026	Se_9_P_1_9_F_1_P_1_9_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2639.25250535; Eh
	28-Feb-2026	Se_8_P_1_8_O_P_1_8_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2674.79675560; Eh
	28-Feb-2026	Se_8_R_1_8_R_1_8_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2598.64299619; Eh

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