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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_7_P_1_7_O_P_1_7_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-213.34553131; Eh
	28-Feb-2026	C_7_R_1_7_R_1_7_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-137.00324717; Eh
	28-Feb-2026	C_7_R_1_7_R_1_7_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-137.00324714; Eh
	28-Feb-2026	S_10_P_1_10_F_1_P_1_10_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-827.92358704; Eh
	28-Feb-2026	C_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	-252.55563224; Eh
	28-Feb-2026	C_9_R_1_9_R_1_9_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-176.40970248; Eh
	28-Feb-2026	S_10_P_1_10_F_1_P_1_10_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-827.85376489; Eh
	28-Feb-2026	S_10_P_1_10_F_P_1_10_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-927.79550718; Eh
	28-Feb-2026	S_10_P_1_10_F_1_P_1_10_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-827.85376332; Eh
	28-Feb-2026	C_9_P_1_9_O_P_1_9_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-252.59227392; Eh

Results 387521-387530 of 397899 (Search time: 0.24 seconds).