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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_17_P_1_17_O_P_1_17_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2900.98221611; Eh
	28-Feb-2026	Se_17_R_1_17_R_1_17_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2825.23903169; Eh
	28-Feb-2026	Se_17_R_1_17_R_1_17_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2825.23907283; Eh
	28-Feb-2026	Se_22_P_1_22_F_1_P_1_22_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2925.28791942; Eh
	28-Feb-2026	Se_21_P_1_21_O_P_1_21_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2822.52496470; Eh
	28-Feb-2026	Se_21_R_1_21_R_1_21_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2746.79863781; Eh
	28-Feb-2026	Se_22_P_1_22_F_P_1_22_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3025.23370635; Eh
	28-Feb-2026	Se_22_P_1_22_F_1_P_1_22_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2925.32697677; Eh
	28-Feb-2026	Se_21_P_1_21_O_P_1_21_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2822.50420402; Eh
	28-Feb-2026	Se_22_P_1_22_F_1_P_1_22_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2925.32698224; Eh

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