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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_22_P_1_22_O_P_1_22_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-789.76903046; Eh
	28-Feb-2026	Si_22_P_1_22_F_1_P_1_22_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-814.15106485; Eh
	28-Feb-2026	Si_22_P_1_22_F_P_1_22_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-914.15572350; Eh
	28-Feb-2026	Si_22_P_1_22_F_1_P_1_22_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-814.15105425; Eh
	28-Feb-2026	Si_21_R_1_21_R_1_21_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-635.46509610; Eh
	28-Feb-2026	Si_28_P_1_28_O_P_1_28_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-827.18671776; Eh
	28-Feb-2026	Si_29_P_1_29_F_1_P_1_29_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-806.72107418; Eh
	28-Feb-2026	Si_28_R_1_28_R_1_28_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-751.26891299; Eh
	28-Feb-2026	Si_29_P_1_29_F_P_1_29_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-906.88648955; Eh
	28-Feb-2026	Si_29_P_1_29_F_1_P_1_29_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-806.82753991; Eh

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