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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_17_P_1_17_O_P_1_17_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-898.28521056; Eh
	28-Feb-2026	S_17_P_1_17_F_P_1_17_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1022.52531325; Eh
	28-Feb-2026	S_17_P_1_17_F_1_P_1_17_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-922.63703735; Eh
	28-Feb-2026	S_17_P_1_17_O_P_1_17_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-898.28522765; Eh
	28-Feb-2026	S_17_R_1_17_R_1_17_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-822.52688016; Eh
	28-Feb-2026	S_21_P_1_21_F_P_1_21_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-943.93044340; Eh
	28-Feb-2026	S_21_P_1_21_O_P_1_21_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-819.65766915; Eh
	28-Feb-2026	S_21_R_1_21_R_1_21_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-743.91194065; Eh
	28-Feb-2026	S_22_P_1_22_F_1_P_1_22_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-922.61573502; Eh
	28-Feb-2026	S_21_P_1_21_O_P_1_21_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-819.80835998; Eh

Results 389031-389040 of 402241 (Search time: 0.219 seconds).