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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_6_P_1_6_O_P_1_6_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2937.74289220; Eh
	28-Feb-2026	Se_7_P_1_7_F_1_P_1_7_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2599.98036702; Eh
	28-Feb-2026	Se_7_P_1_7_F_1_P_1_7_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2599.98034813; Eh
	28-Feb-2026	Se_6_R_1_6_R_1_6_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2861.99024515; Eh
	28-Feb-2026	Se_6_R_1_6_R_1_6_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2861.99023496; Eh
	28-Feb-2026	Se_8_P_1_8_F_1_P_1_8_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2699.49695391; Eh
	28-Feb-2026	Se_8_P_1_8_O_P_1_8_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2675.21604497; Eh
	28-Feb-2026	Se_8_P_1_8_F_P_1_8_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2799.51395735; Eh
	28-Feb-2026	Se_8_P_1_8_F_1_P_1_8_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2699.04130459; Eh
	28-Feb-2026	Se_8_P_1_8_O_P_1_8_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2674.79675460; Eh

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