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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	C_41_P_1_41_O_P_1_41_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1719.55227963; Eh
	28-Feb-2026	C_4_P_1_4_F_P_1_4_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-469.08358376; Eh
	28-Feb-2026	C_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	-	-369.10680371; Eh
	28-Feb-2026	C_41_R_1_41_R_1_41_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1643.82956851; Eh
	28-Feb-2026	C_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	-	-369.10682295; Eh
	28-Feb-2026	C_41_R_1_41_R_1_41_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1643.82952949; Eh
	28-Feb-2026	C_9_P_1_9_F_1_P_1_9_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-276.82222602; Eh
	28-Feb-2026	C_9_P_1_9_F_P_1_9_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-376.86401003; Eh
	28-Feb-2026	C_8_R_1_8_R_1_8_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-236.12686432; Eh
	28-Feb-2026	C_9_P_1_9_F_1_P_1_9_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-276.81735104; Eh

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