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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Feb-2026	S_24_P_1_24_F_1_P_1_24_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1069.86096065; Eh
	28-Feb-2026	S_24_P_1_24_F_1_P_1_24_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1069.86035071; Eh
	28-Feb-2026	S_23_P_1_23_O_P_1_23_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-814.97482217; Eh
	28-Feb-2026	S_23_R_1_23_R_1_23_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-739.19144005; Eh
	28-Feb-2026	S_23_R_1_23_R_1_23_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-739.19144026; Eh
	28-Feb-2026	S_29_P_1_29_O_P_1_29_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-890.87308212; Eh
	28-Feb-2026	S_2_P_1_2_F_1_P_1_2_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-537.64269935; Eh
	28-Feb-2026	S_29_R_1_29_R_1_29_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-815.05388660; Eh
	28-Feb-2026	S_29_P_1_29_O_P_1_29_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-890.98298149; Eh
	28-Feb-2026	S_2_P_1_2_F_P_1_2_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-637.39074863; Eh

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