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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2026	/CCSD(T)/ODV ODV_Conformer1_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-825.32006804234175; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer14	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96554451843713; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer12	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96604138491466; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer15	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96112658098991; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer13	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.95944002396868; Eh
	29-Jun-2025	Phenothrin_RR_CONF12_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1118.1838804; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer11	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96599347887400; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer10	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96423157647257; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer9	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96458036765534; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer7	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96535435819851; Eh

Results 380461-380470 of 402373 (Search time: 0.242 seconds).