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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)/TRA TRA_Conformer12_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-825.30602602822660; Eh
	30-Jan-2026	/CCSD(T)/TRA TRA_Conformer10_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-825.30246149068648; Eh
	30-Jan-2026	/CCSD(T)/TRA TRA_Conformer8_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-825.30399192334426; Eh
	30-Jan-2026	/CCSD(T)/TRA TRA_Conformer5_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-825.30831636043899; Eh
	30-Jan-2026	/CCSD(T)/TRA TRA_Conformer9_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-825.30287395754567; Eh
	30-Jan-2026	/CCSD(T)/TRA TRA_Conformer6_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-825.30810828060044; Eh
	30-Jan-2026	/CCSD(T)/TRA TRA_Conformer7_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-825.30427666058608; Eh
	29-Jun-2025	Phenothrin_RR_CONF11_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1118.1838811; Eh
	30-Jan-2026	/CCSD(T)/TRA TRA_Conformer3_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-825.30681168592082; Eh
	30-Jan-2026	/CCSD(T)/ODV ODV_Conformer18_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-825.30907091621452; Eh

Results 380441-380450 of 402373 (Search time: 0.243 seconds).