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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	S_5_R_1_5_R_1_5_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-667.90909325; Eh
	28-Feb-2026	Se_10_P_1_10_F_1_P_1_10_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2830.82757441; Eh
	28-Feb-2026	Se_10_P_1_10_F_P_1_10_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2930.78765746; Eh
	28-Feb-2026	S_9_R_1_9_R_1_9_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-536.35164021; Eh
	28-Feb-2026	Se_10_P_1_10_F_1_P_1_10_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2830.58145932; Eh
	28-Feb-2026	Se_10_P_1_10_F_P_1_10_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2930.53735443; Eh
	28-Feb-2026	Se_10_P_1_10_O_P_1_10_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2806.26759438; Eh
	28-Feb-2026	Se_10_P_1_10_F_1_P_1_10_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2830.58154540; Eh
	28-Feb-2026	Se_10_P_1_10_F_P_1_10_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2930.53714510; Eh
	28-Feb-2026	S_9_R_1_9_R_1_9_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-536.16412666; Eh

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