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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_4_P_1_4_O_P_1_4_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-704.48530385; Eh
	28-Feb-2026	S_4_R_1_4_R_1_4_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-628.67329139; Eh
	28-Feb-2026	S_5_P_1_5_F_P_1_5_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-867.98568736; Eh
	28-Feb-2026	S_5_P_1_5_F_1_P_1_5_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-768.06500217; Eh
	28-Feb-2026	S_5_P_1_5_F_1_P_1_5_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-768.06499838; Eh
	28-Feb-2026	S_4_P_1_4_O_P_1_4_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-704.48501524; Eh
	28-Feb-2026	S_4_R_1_4_R_1_4_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-628.64295887; Eh
	28-Feb-2026	S_4_R_1_4_R_1_4_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-628.64295983; Eh
	28-Feb-2026	Se_11_P_1_11_F_1_P_1_11_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3068.20039952; Eh
	28-Feb-2026	Se_10_P_1_10_O_P_1_10_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2806.47615897; Eh

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