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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_20_R_1_20_R_1_20_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2668.27096386; Eh
	28-Feb-2026	Se_26_P_1_26_F_P_1_26_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3633.17632440; Eh
	28-Feb-2026	Se_26_P_1_26_F_1_P_1_26_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3533.26998924; Eh
	28-Feb-2026	Se_26_P_1_26_O_P_1_26_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3508.87385003; Eh
	28-Feb-2026	Se_26_P_1_26_F_P_1_26_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3633.56002314; Eh
	28-Feb-2026	Se_26_P_1_26_O_P_1_26_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3509.30223758; Eh
	28-Feb-2026	Se_26_P_1_26_F_P_1_26_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3633.56009694; Eh
	28-Feb-2026	Se_26_P_1_26_O_P_1_26_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3509.30178674; Eh
	28-Feb-2026	Se_26_P_1_26_F_1_P_1_26_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3533.66180737; Eh
	28-Feb-2026	Se_26_R_1_26_R_1_26_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3433.63584919; Eh

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