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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	/YGG YGG-H_tt_024_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1047.11372490; Eh
	16-Jun-2023	/YGG YGG-H_tt_044_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1047.13129227; Eh
	16-Jun-2023	/YGG YGG-H_tt_045_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1047.14185592; Eh
	16-Jun-2023	/YGG YGG-H_tt_043_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1047.12811332; Eh
	16-Jun-2023	/YGG YGG-H_tt_042_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1047.12636578; Eh
	16-Jun-2023	/YGG YGG-H_tt_046_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1047.12272034; Eh
	16-Jun-2023	/YGG YGG-H_tt_047_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1047.12177710; Eh
	16-Jun-2023	/YGG YGG-H_tt_041_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1047.13495888; Eh
	16-Jun-2023	/YGG YGG-H_tt_064_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1047.12760794; Eh
	16-Jun-2023	/GSH GSH-H_cc_000_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23425070; Eh

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