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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3h	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-784.55343227; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3i	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-784.55539533; Eh
	16-Jun-2023	/GSH GSH-H_tt_111_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24027416; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3j	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-784.55223787; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3m	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-784.55059656; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3l	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-784.55457550; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3k	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-784.55317999; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3n	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-784.54818142; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/MeOH_Clusters NicotinicAcid_MeOH_3p	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-784.54958325; Eh
	17-Nov-2021	/NicotinicAcid_Clusters/ACN_Clusters NicotinicAcid_ACN_2a	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-702.85641028; Eh

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