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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_6_P_1_6_F_P_1_6_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-1059.29273504; Eh
	28-Feb-2026	S_6_P_1_6_O_P_1_6_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-935.04215547; Eh
	28-Feb-2026	S_6_P_1_6_F_P_1_6_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-1059.29274911; Eh
	28-Feb-2026	S_6_P_1_6_O_P_1_6_O_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-935.04216700; Eh
	28-Feb-2026	S_6_R_1_6_R_1_6_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-859.27576023; Eh
	28-Feb-2026	S_6_R_1_6_R_1_6_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-859.27573890; Eh
	28-Feb-2026	Se_11_P_1_11_O_P_1_11_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-3043.83573725; Eh
	28-Feb-2026	Se_12_P_1_12_F_1_P_1_12_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2611.81062582; Eh
	28-Feb-2026	Se_11_R_1_11_R_1_11_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-2968.03413992; Eh
	28-Feb-2026	Se_11_P_1_11_O_P_1_11_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-3043.60161969; Eh

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