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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_18_P_1_18_F_P_1_18_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-819.77065919; Eh
	28-Feb-2026	C_18_P_1_18_F_1_P_1_18_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-719.88949819; Eh
	28-Feb-2026	C_18_P_1_18_F_P_1_18_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-819.77050866; Eh
	28-Feb-2026	C_18_P_1_18_F_1_P_1_18_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-719.88945087; Eh
	28-Feb-2026	C_17_R_1_17_R_1_17_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-462.82084852; Eh
	28-Feb-2026	C_17_R_1_17_R_1_17_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-462.82085222; Eh
	28-Feb-2026	C_19_P_1_19_F_P_1_19_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-427.37796758; Eh
	28-Feb-2026	C_19_P_1_19_O_P_1_19_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-303.09254474; Eh
	28-Feb-2026	C_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	-227.20527725; Eh
	28-Feb-2026	C_19_P_1_19_F_P_1_19_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-427.50051537; Eh

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