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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_21_P_1_21_F_P_1_21_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-944.04895814; Eh
	28-Feb-2026	S_21_P_1_21_O_P_1_21_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-819.80824098; Eh
	28-Feb-2026	S_21_R_1_21_R_1_21_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-744.04538999; Eh
	28-Feb-2026	S_21_R_1_21_R_1_21_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-744.04539245; Eh
	28-Feb-2026	S_26_P_1_26_F_1_P_1_26_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1530.38105637; Eh
	28-Feb-2026	S_26_P_1_26_F_P_1_26_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1630.25716554; Eh
	28-Feb-2026	S_25_R_1_25_R_1_25_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-1199.93435264; Eh
	28-Feb-2026	S_26_P_1_26_F_P_1_26_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1630.82395843; Eh
	28-Feb-2026	S_26_P_1_26_F_1_P_1_26_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1530.94746328; Eh
	28-Feb-2026	S_26_P_1_26_O_P_1_26_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1506.60116703; Eh

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