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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_16_R_1_16_R_1_16_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-665.51062835; Eh
	28-Feb-2026	S_17_P_1_17_F_1_P_1_17_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-922.63708360; Eh
	28-Feb-2026	S_16_P_1_16_O_P_1_16_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-741.33552088; 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_16_P_1_16_O_P_1_16_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-741.33550508; Eh
	28-Feb-2026	S_16_R_1_16_R_1_16_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-665.55148647; Eh
	28-Feb-2026	S_16_R_1_16_R_1_16_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-665.55147857; Eh
	28-Feb-2026	S_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	-598.41267988; Eh
	28-Feb-2026	S_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	-474.10673556; Eh
	28-Feb-2026	S_1_R_1_1_R_1_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-397.95973311; Eh

Results 385001-385010 of 397032 (Search time: 0.242 seconds).