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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_25_P_1_25_F_1_P_1_25_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3303.12355049; Eh
	28-Feb-2026	Se_24_P_1_24_O_P_1_24_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3048.22145826; Eh
	28-Feb-2026	Se_24_R_1_24_R_1_24_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2972.50089913; Eh
	28-Feb-2026	Se_24_R_1_24_R_1_24_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2972.50087237; Eh
	28-Feb-2026	Se_2_P_1_2_F_1_P_1_2_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2640.47278544; Eh
	28-Feb-2026	Se_29_R_1_29_R_1_29_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2818.07790445; Eh
	28-Feb-2026	Se_2_P_1_2_F_P_1_2_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2540.54596806; Eh
	28-Feb-2026	Se_2_P_1_2_F_1_P_1_2_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2640.12388977; Eh
	28-Feb-2026	Se_2_P_1_2_F_1_P_1_2_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2640.12388341; Eh
	28-Feb-2026	Se_2_P_1_2_F_P_1_2_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2540.20319692; Eh

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