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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_23_P_1_23_O_P_1_23_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-706.49375265; Eh
	28-Feb-2026	Si_23_P_1_23_F_P_1_23_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-830.87840048; Eh
	28-Feb-2026	Si_23_P_1_23_O_P_1_23_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-706.49374665; Eh
	28-Feb-2026	Si_23_R_1_23_R_1_23_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-630.62483562; Eh
	28-Feb-2026	Si_23_R_1_23_R_1_23_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-630.62345865; Eh
	28-Feb-2026	Si_28_P_1_28_F_1_P_1_28_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-851.53797270; Eh
	28-Feb-2026	Si_28_P_1_28_F_P_1_28_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-951.64058323; Eh
	28-Feb-2026	Si_27_R_1_27_R_1_27_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-553.31579228; Eh
	28-Feb-2026	Si_28_P_1_28_F_1_P_1_28_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-851.46610431; Eh
	28-Feb-2026	Si_28_P_1_28_O_P_1_28_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-827.15824635; Eh

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