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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_O_P_1_5_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2746.55857983; Eh
	28-Feb-2026	Se_5_P_1_5_F_P_1_5_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2870.71763335; Eh
	28-Feb-2026	Se_5_P_1_5_F_1_P_1_5_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2770.78443918; Eh
	28-Feb-2026	Se_5_P_1_5_O_P_1_5_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2746.43079487; Eh
	28-Feb-2026	Se_5_P_1_5_F_P_1_5_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2870.71782881; Eh
	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_5_P_1_5_O_P_1_5_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2746.43097931; Eh
	28-Feb-2026	Se_6_P_1_6_F_P_1_6_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3062.06198818; Eh
	28-Feb-2026	Se_6_P_1_6_F_1_P_1_6_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2962.13359712; Eh
	28-Feb-2026	Se_5_R_1_5_R_1_5_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2670.79351394; Eh

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