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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_38_P_1_38_F_1_P_1_38_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2999.48615978; Eh
	28-Feb-2026	Se_37_R_1_37_R_1_37_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3240.99338175; Eh
	28-Feb-2026	Se_39_P_1_39_F_1_P_1_39_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3498.28456118; Eh
	28-Feb-2026	Se_38_P_1_38_O_P_1_38_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2975.43303081; Eh
	28-Feb-2026	Se_38_R_1_38_R_1_38_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2899.70437383; Eh
	28-Feb-2026	Se_39_P_1_39_F_1_P_1_39_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3498.01267900; Eh
	28-Feb-2026	Se_39_P_1_39_F_P_1_39_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3597.92694077; Eh
	28-Feb-2026	Se_39_P_1_39_F_1_P_1_39_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-3498.01269834; Eh
	28-Feb-2026	Se_38_P_1_38_O_P_1_38_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2975.14095356; Eh
	28-Feb-2026	Se_38_R_1_38_R_1_38_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2899.37550966; Eh

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