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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_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	-	-276.81734800; Eh
	28-Feb-2026	C_9_P_1_9_F_P_1_9_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-376.85359009; 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
	28-Feb-2026	S_11_P_1_11_O_P_1_11_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1040.96244019; Eh
	28-Feb-2026	S_11_P_1_11_F_P_1_11_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1165.24188121; Eh
	28-Feb-2026	S_11_R_1_11_R_1_11_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-965.12932938; Eh
	28-Feb-2026	S_11_P_1_11_O_P_1_11_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1040.90231622; Eh
	28-Feb-2026	S_11_P_1_11_F_P_1_11_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1165.15247017; Eh
	28-Feb-2026	S_11_P_1_11_O_P_1_11_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1040.90231105; Eh
	28-Feb-2026	S_11_P_1_11_F_P_1_11_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1165.15245969; Eh

Results 384301-384310 of 397199 (Search time: 0.207 seconds).