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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_9_P_1_9_F_1_P_1_9_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-636.72356055; Eh
	28-Feb-2026	S_9_P_1_9_F_P_1_9_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-736.69220588; Eh
	28-Feb-2026	S_9_P_1_9_O_P_1_9_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-612.42006538; Eh
	28-Feb-2026	S_9_P_1_9_F_P_1_9_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-736.48678731; Eh
	28-Feb-2026	S_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	-	-636.52189608; Eh
	28-Feb-2026	S_9_P_1_9_O_P_1_9_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-612.25128179; Eh
	28-Feb-2026	S_9_P_1_9_F_P_1_9_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-736.48679399; Eh
	28-Feb-2026	S_9_P_1_9_O_P_1_9_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-612.25127741; Eh
	28-Feb-2026	S_9_R_1_9_R_1_9_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-536.16412565; Eh
	28-Feb-2026	Se_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	-2665.78827044; Eh

Results 389081-389090 of 402241 (Search time: 0.216 seconds).