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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
16-Jun-2023	/GSH GSH-H_tt_045_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25877373; Eh
16-Jun-2023	/GSH GSH-H_tt_039_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23413245; Eh
16-Jun-2023	/GSH GSH-H_tt_065_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25349078; Eh
16-Jun-2023	/GSH GSH-H_tt_063_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.22849412; Eh
16-Jun-2023	/GSH GSH-H_tt_060_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25534963; Eh
16-Jun-2023	/GSH GSH-H_tt_059_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.26163622; Eh
16-Jun-2023	/GSH GSH-H_tt_050_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24510024; Eh
16-Jun-2023	/GSH GSH-H_tt_048_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25465824; Eh
16-Jun-2023	/GSH GSH-H_tt_043_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23240021; Eh
16-Jun-2023	/GSH GSH-H_tt_064_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25652143; Eh

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