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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_15_P_1_15_F_P_1_15_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2829.07896008; Eh
	28-Feb-2026	Se_15_P_1_15_F_1_P_1_15_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2729.15885337; Eh
	28-Feb-2026	Se_15_P_1_15_O_P_1_15_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2704.80559369; Eh
	28-Feb-2026	Se_15_R_1_15_R_1_15_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2629.02475624; Eh
	28-Feb-2026	Se_20_P_1_20_F_1_P_1_20_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2768.55594386; Eh
	28-Feb-2026	Se_20_P_1_20_F_P_1_20_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2868.49099076; Eh
	28-Feb-2026	Se_20_P_1_20_O_P_1_20_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2744.16452291; Eh
	28-Feb-2026	Se_20_P_1_20_F_P_1_20_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2868.32786270; Eh
	28-Feb-2026	Se_20_P_1_20_O_P_1_20_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2744.04730468; Eh
	28-Feb-2026	Se_20_P_1_20_F_P_1_20_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2868.32796195; Eh

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