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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jan-2023	/Hum_Ag_trans_keto/DLPNO-CCSDT Humulone_transKeto_Neutral_Iso1_23	Ieritano, Christian	Orca; 5.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.38822504; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DLPNO-CCSDT Humulone_transKeto_Neutral_Iso1_1	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.37401585; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DLPNO-CCSDT Humulone_transKeto_Neutral_Iso1_17	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.37252355; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DLPNO-CCSDT Humulone_transKeto_Neutral_Iso1_16	Ieritano, Christian	Orca; 5.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.37402035; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DLPNO-CCSDT Humulone_transKeto_Neutral_Iso1_14	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.37404080; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DLPNO-CCSDT Humulone_transKeto_Neutral_Iso1_13	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.37489282; Eh
	9-Jan-2023	/Hum_Ag_cis_keto/TD-DFT Humulone_Ag_cisKeto_70	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1341.38102504; Eh
	9-Jan-2023	/Hum_Ag_cis_keto/TD-DFT Humulone_Ag_cisKeto_54	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1341.37663676; Eh
	9-Jan-2023	/Hum_Ag_cis_keto/TD-DFT Humulone_Ag_cisKeto_13	Ieritano, Christian	Orca; 5.0.1; RELEASE	Single point	-	def2-TZVPP	-1341.37506332; Eh
	9-Jan-2023	/Hum_Ag_cis_keto/DLPNO-CCSDT Humulone_Ag_cisKeto_9	Ieritano, Christian	Orca; 5.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1333.39748169; Eh

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