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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_9_P_1_9_F_1_P_1_9_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-636.52188461; Eh
	28-Feb-2026	S_8_P_1_8_O_P_1_8_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-672.08925147; Eh
	28-Feb-2026	S_8_P_1_8_O_P_1_8_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-672.08925196; Eh
	28-Feb-2026	S_8_P_1_8_F_P_1_8_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-796.30475981; Eh
	28-Feb-2026	S_8_R_1_8_R_1_8_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-595.86731730; Eh
	28-Feb-2026	S_8_R_1_8_R_1_8_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-595.86731804; Eh
	28-Feb-2026	Se_13_P_1_13_F_P_1_13_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2750.94166860; Eh
	28-Feb-2026	Se_13_P_1_13_F_1_P_1_13_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2650.99347093; Eh
	28-Feb-2026	Se_12_R_1_12_R_1_12_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2511.59616483; Eh
	28-Feb-2026	Se_13_P_1_13_F_P_1_13_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2750.63829755; Eh

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