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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_18_P_1_18_F_P_1_18_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1071.07246801; Eh
	28-Feb-2026	Si_18_P_1_18_F_1_P_1_18_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-971.08830406; Eh
	28-Feb-2026	Si_18_P_1_18_F_1_P_1_18_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-971.08832357; Eh
	28-Feb-2026	Si_17_P_1_17_O_P_1_17_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-789.79745978; Eh
	28-Feb-2026	Si_17_R_1_17_R_1_17_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-713.96003786; Eh
	28-Feb-2026	Si_17_R_1_17_R_1_17_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-713.95593353; Eh
	28-Feb-2026	Si_22_P_1_22_F_1_P_1_22_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-813.90404583; Eh
	28-Feb-2026	Si_22_P_1_22_F_P_1_22_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-913.92418644; Eh
	28-Feb-2026	Si_21_R_1_21_R_1_21_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-635.29274105; Eh
	28-Feb-2026	Si_22_P_1_22_F_P_1_22_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-914.15572127; Eh

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