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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_14_P_1_14_F_P_1_14_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2790.11298957; Eh
	28-Feb-2026	Se_14_R_1_14_R_1_14_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2590.00751794; Eh
	28-Feb-2026	Se_15_P_1_15_F_1_P_1_15_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2729.15885687; Eh
	28-Feb-2026	Se_14_P_1_14_O_P_1_14_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2665.57822777; Eh
	28-Feb-2026	Se_14_P_1_14_F_P_1_14_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2789.85988640; Eh
	28-Feb-2026	Se_14_P_1_14_O_P_1_14_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2665.57823234; Eh
	28-Feb-2026	Se_14_R_1_14_R_1_14_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2589.77760980; Eh
	28-Feb-2026	Se_14_R_1_14_R_1_14_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2589.77754415; Eh
	28-Feb-2026	Se_19_P_1_19_O_P_1_19_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2665.80116683; Eh
	28-Feb-2026	Se_19_R_1_19_R_1_19_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2590.00616398; Eh

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