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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_11_R_1_11_R_1_11_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-856.44053695; Eh
	28-Feb-2026	Si_12_P_1_12_F_P_1_12_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-600.33234654; Eh
	28-Feb-2026	Si_11_P_1_11_O_P_1_11_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-932.35504721; Eh
	28-Feb-2026	Si_12_P_1_12_F_1_P_1_12_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-500.30570550; Eh
	28-Feb-2026	Si_12_P_1_12_F_1_P_1_12_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-500.30570987; Eh
	28-Feb-2026	Si_11_R_1_11_R_1_11_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-856.40690816; Eh
	28-Feb-2026	Si_11_R_1_11_R_1_11_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-856.40690680; Eh
	28-Feb-2026	Si_18_P_1_18_F_1_P_1_18_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-970.64748892; Eh
	28-Feb-2026	Si_17_P_1_17_O_P_1_17_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-789.51849007; Eh
	28-Feb-2026	Si_17_R_1_17_R_1_17_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-713.69139608; Eh

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