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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	Si_20_R_1_20_R_1_20_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-556.90382772; Eh
	28-Feb-2026	Si_21_P_1_21_F_1_P_1_21_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-735.69164588; Eh
	28-Feb-2026	Si_20_P_1_20_O_P_1_20_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-632.86047253; Eh
	28-Feb-2026	Si_20_P_1_20_F_P_1_20_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-757.24345141; Eh
	28-Feb-2026	Si_20_P_1_20_O_P_1_20_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-632.86050440; Eh
	28-Feb-2026	Si_20_R_1_20_R_1_20_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-556.98925390; Eh
	28-Feb-2026	Si_20_R_1_20_R_1_20_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-556.98571354; Eh
	28-Feb-2026	Si_26_P_1_26_F_1_P_1_26_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1421.88640776; Eh
	28-Feb-2026	Si_25_P_1_25_O_P_1_25_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1167.12599733; Eh
	28-Feb-2026	Si_25_R_1_25_R_1_25_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1091.32915541; Eh

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