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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/ODV ODV_Conformer15	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.97689242451577; Eh
	30-Jan-2026	/DFT/ODV ODV_Conformer7	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.97574724430092; Eh
	30-Jan-2026	/DFT/TRA TRA_Conformer1	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.96980070615041; Eh
	30-Jan-2026	/CCSD(T)/TRA TRA_2IPA_Conformer1_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1018.52117813935183; Eh
	30-Jan-2026	/CCSD(T)/TRA TRA_1IPA_Conformer1_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1018.52117813935183; Eh
	30-Jan-2026	/CCSD(T)/ODV ODV_1IPA_Conformer1_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1018.52885284422837; Eh
	30-Jan-2026	/CCSD(T)/IPA IPA_solvent_CCSD(T)	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-193.20183764831145; Eh
	30-Jan-2026	/DFT/ODV ODV_1IPA_Conformer1	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1025.50329695541518; Eh
	30-Jan-2026	/DFT/TRA TRA_1IPA_Conformer1	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1025.49403515796666; Eh
	30-Jan-2026	/DFT/ODV ODV_Conformer3	McLachlan, Dawson	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-830.97967902848245; Eh

Results 380481-380490 of 402296 (Search time: 0.244 seconds).