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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_40_P_1_40_O_P_1_40_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1848.59214232; Eh
	28-Feb-2026	S_40_R_1_40_R_1_40_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1772.96504828; Eh
	28-Feb-2026	S_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	-	-2103.61702521; Eh
	28-Feb-2026	S_40_P_1_40_O_P_1_40_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1848.70535123; Eh
	28-Feb-2026	S_40_P_1_40_F_P_1_40_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1972.95390803; Eh
	28-Feb-2026	S_40_P_1_40_O_P_1_40_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1848.70490041; Eh
	28-Feb-2026	S_40_R_1_40_R_1_40_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1773.04107901; Eh
	28-Feb-2026	S_40_R_1_40_R_1_40_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1773.04101521; Eh
	28-Feb-2026	S_8_P_1_8_F_1_P_1_8_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-696.58876794; Eh
	28-Feb-2026	S_7_P_1_7_O_P_1_7_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-573.21597816; Eh

Results 390371-390380 of 402373 (Search time: 0.231 seconds).