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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_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
	28-Feb-2026	Se_15_P_1_15_F_P_1_15_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2829.28220753; Eh
	28-Feb-2026	Se_15_P_1_15_F_1_P_1_15_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2729.35534618; Eh
	28-Feb-2026	Se_15_P_1_15_O_P_1_15_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2704.96413250; Eh
	28-Feb-2026	Se_15_P_1_15_F_P_1_15_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2829.07896578; Eh
	28-Feb-2026	Se_15_P_1_15_O_P_1_15_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2704.80557194; Eh

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