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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_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	-	-336.59377722; Eh
	28-Feb-2026	C_8_P_1_8_O_P_1_8_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-312.41697677; Eh
	28-Feb-2026	C_8_P_1_8_F_P_1_8_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-436.68500767; Eh
	28-Feb-2026	C_8_R_1_8_R_1_8_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-236.03771107; Eh
	28-Feb-2026	S_13_P_1_13_F_P_1_13_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-748.02897412; Eh
	28-Feb-2026	S_13_P_1_13_O_P_1_13_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-623.74314743; Eh
	28-Feb-2026	S_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	-547.90960791; Eh
	28-Feb-2026	S_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	-	-687.21605177; Eh
	28-Feb-2026	S_13_P_1_13_O_P_1_13_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-623.65569534; Eh
	28-Feb-2026	S_13_P_1_13_F_P_1_13_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-747.90807770; Eh

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