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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
4-Feb-2026	CpSRhH_BF_HFelim_sH62F40_41ts_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2251.83271642536829; Eh
4-Feb-2026	CpSRhH_i1_bHTS_11ts_r_ircr_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2251.88420471720019; Eh
4-Feb-2026	CpSRhH_i1_bHTS_11ts_r_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2251.86659452927643; Eh
4-Feb-2026	CpSRhH_BF_HFelim_sH62F40_41ts_ircr	Nelson, David	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	-	-2251.99089804083997; Eh
4-Feb-2026	CpSRhH_BF_HFelim_sH62F40_41ts	Nelson, David	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	-	-2251.99089625005126; Eh
4-Feb-2026	CpSRhH_i1_bHTS_11ts_r	Nelson, David	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	-	-2252.01618063704427; Eh
4-Feb-2026	CpSRhHBC6F52_12	Nelson, David	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	-	-1981.67544216158512; Eh
29-Jun-2025	Allethrin_RS_CONF124_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-965.42633025; Eh
4-Feb-2026	CpS_RhH2e2_alt_sC34H40_12ts_ircf_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2152.53385734725543; Eh
4-Feb-2026	CpS_RhH2e2_alt_sC33H56_15ts_ircf_sp	Nelson, David	Orca; 6.0.1; RELEASE	Single point	DFT	ma-def2-qzvp	-2152.51610882167779; Eh

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