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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_26_R_1_26_R_1_26_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3433.63585562; Eh
	28-Feb-2026	Se_36_P_1_36_F_1_P_1_36_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3184.74416149; Eh
	28-Feb-2026	Se_35_P_1_35_O_P_1_35_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2818.67094261; Eh
	28-Feb-2026	Se_35_R_1_35_R_1_35_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2742.81921588; Eh
	28-Feb-2026	Se_36_P_1_36_F_P_1_36_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3284.00289961; Eh
	28-Feb-2026	Se_36_P_1_36_F_1_P_1_36_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3184.09754699; Eh
	28-Feb-2026	Se_36_P_1_36_F_1_P_1_36_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3184.09757759; Eh
	28-Feb-2026	Se_35_P_1_35_O_P_1_35_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2818.19127128; Eh
	28-Feb-2026	Se_35_R_1_35_R_1_35_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2742.30707027; Eh
	28-Feb-2026	Se_35_R_1_35_R_1_35_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2742.30707086; Eh

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