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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_13_R_1_13_R_1_13_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-439.28495156; Eh
	28-Feb-2026	Si_14_P_1_14_F_P_1_14_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-678.77445884; Eh
	28-Feb-2026	Si_14_P_1_14_F_1_P_1_14_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-578.75760181; Eh
	28-Feb-2026	Si_14_P_1_14_O_P_1_14_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-554.39179430; Eh
	28-Feb-2026	Si_14_P_1_14_F_P_1_14_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-678.77443382; Eh
	28-Feb-2026	Si_14_P_1_14_F_1_P_1_14_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-578.75764069; Eh
	28-Feb-2026	Si_13_R_1_13_R_1_13_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-439.22574844; Eh
	28-Feb-2026	Si_1_P_1_1_F_1_P_1_1_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-389.84297926; Eh
	28-Feb-2026	Si_19_R_1_19_R_1_19_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-478.48595281; Eh
	28-Feb-2026	Si_1_P_1_1_F_P_1_1_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-489.95029339; Eh

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