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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jun-2023	/GSH GSH-H_tt_094_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23797996; Eh
	5-May-2021	/Benzylium/DFT pOEt_Benzylium_2	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-424.55092588; Eh
	16-Jun-2023	/GSH GSH-H_tt_091_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23749741; Eh
	16-Jun-2023	/GSH GSH-H_tt_086_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24666206; Eh
	5-May-2021	/Carbocations/DFT Isopropylium	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-118.21737916; Eh
	5-May-2021	/Alkenes/DFT tert-butylene	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-117.91574454; Eh
	16-Jun-2023	/GSH GSH-H_tt_083_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23022386; Eh
	5-May-2021	/Alkenes/DFT Ethylene	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-78.59291371; Eh
	5-May-2021	/Benzylpyridinium/DFT pOEt_BP_3	Ieritano, Christian	Orca; 4.2.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-672.91555966; Eh
	16-Jun-2023	/GSH GSH-H_tt_093_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25158757; Eh

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