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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_14_R_1_14_R_1_14_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-587.11711334; Eh
	28-Feb-2026	S_15_P_1_15_F_P_1_15_F_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-826.34805401; Eh
	28-Feb-2026	S_15_P_1_15_F_1_P_1_15_F_1_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-726.44735116; Eh
	28-Feb-2026	S_15_P_1_15_F_P_1_15_F_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-826.34807572; Eh
	28-Feb-2026	S_15_P_1_15_O_P_1_15_O_hess_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point Minimum	DFT	-	-702.10865998; Eh
	28-Feb-2026	S_15_P_1_15_F_1_P_1_15_F_1_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-726.44713651; Eh
	28-Feb-2026	S_14_R_1_14_R_1_14_opt_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Geometry optimization	DFT	-	-587.06198874; Eh
	28-Feb-2026	S_1_P_1_1_F_P_1_1_F_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-598.41267988; Eh
	28-Feb-2026	S_1_P_1_1_F_1_P_1_1_F_1_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-498.42160292; Eh
	28-Feb-2026	S_1_P_1_1_O_P_1_1_O_sp_orca	Mulks, Florian; Barrera, Yoshio	Orca; 5.0.4; RELEASE	Single point	DFT	def2-QZVPP; def2-QZVPP/C; def2/J	-474.10673556; Eh

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