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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_18_R_1_18_R_1_18_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-619.77452661; Eh
	28-Feb-2026	C_18_R_1_18_R_1_18_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-619.77447949; Eh
	28-Feb-2026	C_1_P_1_1_F_P_1_1_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-238.55432188; Eh
	28-Feb-2026	C_1_P_1_1_O_P_1_1_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-114.23204725; Eh
	28-Feb-2026	C_1_P_1_1_F_1_P_1_1_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-138.48018076; Eh
	28-Feb-2026	C_1_P_1_1_F_P_1_1_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-238.53088139; Eh
	28-Feb-2026	C_1_P_1_1_F_1_P_1_1_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-138.46063758; Eh
	28-Feb-2026	C_1_P_1_1_O_P_1_1_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-114.25814227; Eh
	28-Feb-2026	C_1_P_1_1_F_P_1_1_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-238.53088134; Eh
	28-Feb-2026	C_1_P_1_1_O_P_1_1_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-114.25813604; Eh

Results 384871-384880 of 397032 (Search time: 0.21 seconds).