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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_1_P_1_1_F_1_P_1_1_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2501.32641501; Eh
	28-Feb-2026	Se_19_P_1_19_O_P_1_19_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2665.58798480; Eh
	28-Feb-2026	Se_1_P_1_1_F_P_1_1_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2600.91665722; Eh
	28-Feb-2026	Se_1_P_1_1_F_1_P_1_1_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2500.94050711; Eh
	28-Feb-2026	Se_19_R_1_19_R_1_19_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2589.77694431; Eh
	28-Feb-2026	Se_19_R_1_19_R_1_19_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2589.77694699; Eh
	28-Feb-2026	Se_1_P_1_1_F_1_P_1_1_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2500.94050747; Eh
	28-Feb-2026	Se_24_P_1_24_F_P_1_24_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3172.48037214; Eh
	28-Feb-2026	Se_24_P_1_24_F_1_P_1_24_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3072.55529370; Eh
	28-Feb-2026	Se_23_R_1_23_R_1_23_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2742.06909119; Eh

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