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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_12_P_1_12_F_P_1_12_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-708.68289014; Eh
	28-Feb-2026	S_12_P_1_12_F_1_P_1_12_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-608.75457825; Eh
	28-Feb-2026	S_12_P_1_12_O_P_1_12_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-584.42464586; Eh
	28-Feb-2026	S_12_P_1_12_F_P_1_12_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-708.68289601; Eh
	28-Feb-2026	S_12_P_1_12_F_1_P_1_12_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-608.75457679; Eh
	28-Feb-2026	S_11_R_1_11_R_1_11_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-965.04322294; Eh
	28-Feb-2026	S_17_P_1_17_F_1_P_1_17_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-922.42614012; Eh
	28-Feb-2026	S_17_P_1_17_F_P_1_17_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1022.31355626; Eh
	28-Feb-2026	S_17_P_1_17_O_P_1_17_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-898.04180370; Eh
	28-Feb-2026	S_17_P_1_17_F_P_1_17_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1022.52539693; Eh

Results 389021-389030 of 402241 (Search time: 0.231 seconds).