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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_16_P_1_16_F_P_1_16_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2868.30284559; Eh
	28-Feb-2026	Se_16_P_1_16_O_P_1_16_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2744.03084647; Eh
	28-Feb-2026	Se_16_P_1_16_F_1_P_1_16_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2768.38657194; Eh
	28-Feb-2026	Se_16_P_1_16_F_P_1_16_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2868.30291487; Eh
	28-Feb-2026	Se_16_P_1_16_F_1_P_1_16_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2768.38656747; Eh
	28-Feb-2026	Se_15_R_1_15_R_1_15_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2629.02475748; Eh
	28-Feb-2026	Se_1_P_1_1_F_P_1_1_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2601.31691770; Eh
	28-Feb-2026	Se_1_P_1_1_O_P_1_1_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2476.98102151; Eh
	28-Feb-2026	Se_1_R_1_1_R_1_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2400.92825820; Eh
	28-Feb-2026	Se_20_P_1_20_F_1_P_1_20_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2768.40305510; Eh

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