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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_40_P_1_40_F_P_1_40_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1613.25494539; Eh
	28-Feb-2026	C_40_P_1_40_O_P_1_40_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1489.00318348; Eh
	28-Feb-2026	C_40_P_1_40_F_P_1_40_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1613.25510071; Eh
	28-Feb-2026	C_40_P_1_40_O_P_1_40_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1489.00291881; Eh
	28-Feb-2026	C_40_R_1_40_R_1_40_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1413.24651218; Eh
	28-Feb-2026	C_8_P_1_8_F_1_P_1_8_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-336.67721744; Eh
	28-Feb-2026	C_8_P_1_8_O_P_1_8_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-312.45839110; Eh
	28-Feb-2026	C_8_P_1_8_F_P_1_8_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-436.77251548; Eh
	28-Feb-2026	C_8_P_1_8_O_P_1_8_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-312.41697679; Eh
	28-Feb-2026	C_8_P_1_8_F_P_1_8_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-436.68500806; Eh

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