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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_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_23_P_1_23_F_1_P_1_23_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2842.18560755; Eh
	28-Feb-2026	Se_22_P_1_22_O_P_1_22_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2900.88626325; Eh
	28-Feb-2026	Se_22_R_1_22_R_1_22_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2825.17269046; Eh
	28-Feb-2026	Se_22_P_1_22_O_P_1_22_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2900.96233951; Eh
	28-Feb-2026	Se_23_P_1_23_F_1_P_1_23_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2842.02687189; Eh
	28-Feb-2026	Se_22_P_1_22_O_P_1_22_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2900.96231527; Eh
	28-Feb-2026	Se_23_P_1_23_F_1_P_1_23_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2842.02686562; Eh
	28-Feb-2026	Se_22_R_1_22_R_1_22_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2825.22862783; Eh

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