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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_26_P_1_26_F_P_1_26_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1630.82394184; Eh
	28-Feb-2026	S_26_P_1_26_F_1_P_1_26_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1530.94751633; Eh
	28-Feb-2026	S_25_R_1_25_R_1_25_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1200.35147277; Eh
	28-Feb-2026	S_31_P_1_31_O_P_1_31_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-974.91633003; Eh
	28-Feb-2026	S_32_P_1_32_F_1_P_1_32_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-993.57081418; Eh
	28-Feb-2026	S_31_R_1_31_R_1_31_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-899.10948876; Eh
	28-Feb-2026	S_32_P_1_32_F_1_P_1_32_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-993.73544876; Eh
	28-Feb-2026	S_32_P_1_32_F_P_1_32_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1093.63987392; Eh
	28-Feb-2026	S_31_P_1_31_O_P_1_31_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-974.88790633; Eh
	28-Feb-2026	S_32_P_1_32_F_1_P_1_32_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-993.73538880; Eh

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