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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_30_P_1_30_F_P_1_30_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2904.08114459; Eh
	28-Feb-2026	Se_2_R_1_2_R_1_2_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2440.21081645; Eh
	28-Feb-2026	Se_30_P_1_30_F_P_1_30_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2903.89536286; Eh
	28-Feb-2026	Se_30_P_1_30_F_1_P_1_30_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2803.96318497; Eh
	28-Feb-2026	Se_30_P_1_30_F_P_1_30_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2903.89552927; Eh
	28-Feb-2026	Se_30_P_1_30_F_1_P_1_30_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2803.96304563; Eh
	28-Feb-2026	Se_2_R_1_2_R_1_2_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-2439.87726812; Eh
	28-Feb-2026	Se_2_R_1_2_R_1_2_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-2439.87726918; Eh
	28-Feb-2026	Se_34_P_1_34_F_1_P_1_34_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3036.02136617; Eh
	28-Feb-2026	Se_33_P_1_33_O_P_1_33_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2936.55760878; Eh

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