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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_9_P_1_9_F_P_1_9_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-376.85358663; Eh
	28-Feb-2026	C_9_P_1_9_O_P_1_9_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-252.59227391; Eh
	28-Feb-2026	C_9_P_1_9_F_1_P_1_9_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-276.81734800; Eh
	28-Feb-2026	C_9_P_1_9_F_P_1_9_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-376.85359009; Eh
	28-Feb-2026	C_8_R_1_8_R_1_8_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-236.03771092; Eh
	28-Feb-2026	S_14_P_1_14_F_P_1_14_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-787.20067191; Eh
	28-Feb-2026	S_14_P_1_14_F_1_P_1_14_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-687.28570097; Eh
	28-Feb-2026	S_14_P_1_14_O_P_1_14_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-662.91932529; Eh
	28-Feb-2026	S_14_P_1_14_F_P_1_14_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-787.12972332; Eh
	28-Feb-2026	S_14_P_1_14_O_P_1_14_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-662.88139265; Eh

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