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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2026	/DFT/TRA TRA_Conformer5	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96795650869740; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer6	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96784791836376; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer8	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96510368651957; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer4	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96621626235731; Eh
	29-Jun-2025	Phenothrin_RR_CONF15_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1118.1854048; Eh
	30-Jan-2026	/DFT/ODV ODV_Conformer24	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.97711577006635; Eh
	30-Jan-2026	/DFT/ODV ODV_Conformer18	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.97359431110203; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer3	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96750533207637; Eh
	30-Jan-2026	/DFT/ODV ODV_Conformer8	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.97384139927101; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer2	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96925085566102; Eh

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