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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_38_P_1_38_O_P_1_38_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-612.74428236; Eh
	28-Feb-2026	C_38_R_1_38_R_1_38_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-536.77096996; Eh
	28-Feb-2026	C_38_R_1_38_R_1_38_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-536.76936830; Eh
	28-Feb-2026	C_41_P_1_41_F_P_1_41_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1843.36140340; Eh
	28-Feb-2026	C_41_P_1_41_O_P_1_41_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1719.06229427; Eh
	28-Feb-2026	C_41_P_1_41_F_1_P_1_41_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1743.42249828; Eh
	28-Feb-2026	C_41_P_1_41_F_P_1_41_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1843.80269658; Eh
	28-Feb-2026	C_41_P_1_41_F_1_P_1_41_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1743.86928731; Eh
	28-Feb-2026	C_41_P_1_41_O_P_1_41_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1719.55279881; Eh
	28-Feb-2026	C_41_P_1_41_F_P_1_41_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1843.80272664; Eh

Results 384951-384960 of 397032 (Search time: 0.256 seconds).