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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_4_P_1_4_F_1_P_1_4_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-620.28601785; Eh
	28-Feb-2026	Si_41_R_1_41_R_1_41_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1894.97195600; Eh
	28-Feb-2026	Si_4_P_1_4_F_1_P_1_4_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-620.28601018; Eh
	28-Feb-2026	Si_4_P_1_4_F_P_1_4_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-720.32802939; Eh
	28-Feb-2026	Si_41_R_1_41_R_1_41_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1894.96532745; Eh
	28-Feb-2026	Si_7_P_1_7_F_1_P_1_7_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-489.00245835; Eh
	28-Feb-2026	Si_7_P_1_7_F_P_1_7_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-589.12970123; Eh
	28-Feb-2026	Si_7_P_1_7_O_P_1_7_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-464.67348659; Eh
	28-Feb-2026	Si_7_P_1_7_F_P_1_7_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-588.90302945; Eh
	28-Feb-2026	Si_7_P_1_7_O_P_1_7_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-464.50527786; Eh

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