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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_R_1_4_R_1_4_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-519.99617898; Eh
	28-Feb-2026	Si_7_R_1_7_R_1_7_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-388.56162593; Eh
	28-Feb-2026	Si_8_P_1_8_F_1_P_1_8_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-588.14756857; Eh
	28-Feb-2026	Si_8_P_1_8_F_P_1_8_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-688.30393177; Eh
	28-Feb-2026	Si_8_P_1_8_O_P_1_8_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-563.62811075; Eh
	28-Feb-2026	Si_8_P_1_8_F_1_P_1_8_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-587.89807598; Eh
	28-Feb-2026	Si_8_P_1_8_F_P_1_8_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-688.03290122; Eh
	28-Feb-2026	Si_8_P_1_8_F_1_P_1_8_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-587.89807577; Eh
	28-Feb-2026	Si_8_P_1_8_F_P_1_8_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-688.03290289; Eh
	28-Feb-2026	Si_7_R_1_7_R_1_7_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-388.37222285; Eh

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