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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
10-Nov-2023	ETN_neut_C004_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91219777; Eh
10-Nov-2023	ETN_neut_C001_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91143721; Eh
10-Nov-2023	ETN_neut_C005_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91695753; Eh
10-Nov-2023	ETN_neut_C003_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91531921; Eh
10-Nov-2023	ETN_neut_C002_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.90990166; Eh
10-Nov-2023	ETN_NO3_C003_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48146421; Eh
10-Nov-2023	ETN_NO3_C004_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48953876; Eh
10-Nov-2023	ETN_NO3_C006_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48615794; Eh
10-Nov-2023	ETN_NO3_C005_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48672232; Eh
10-Nov-2023	ETN_NO3_C007_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1558.48824049; Eh

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