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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_35_P_1_35_F_P_1_35_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-831.32943372; Eh
	28-Feb-2026	Si_35_P_1_35_O_P_1_35_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-706.94026330; Eh
	28-Feb-2026	Si_35_P_1_35_F_1_P_1_35_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-731.26499703; Eh
	28-Feb-2026	Si_35_R_1_35_R_1_35_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-630.94486937; Eh
	28-Feb-2026	Si_40_P_1_40_F_1_P_1_40_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1764.40873103; Eh
	28-Feb-2026	Si_3_P_1_3_F_P_1_3_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-568.36439277; Eh
	28-Feb-2026	Si_3_P_1_3_O_P_1_3_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-443.91261558; Eh
	28-Feb-2026	Si_3_R_1_3_R_1_3_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-367.97848529; Eh
	28-Feb-2026	Si_40_P_1_40_F_1_P_1_40_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1764.53503512; Eh
	28-Feb-2026	Si_40_P_1_40_F_1_P_1_40_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1764.52602140; Eh

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