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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jun-2026	/high-field_ESIneg PFBS_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1675.16786260740082; Eh
	9-Jun-2026	/high-field_ESIneg SalicylicAcid_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-495.57356114504330; Eh
	9-Jun-2026	/high-field_ESIneg PFHxS_C11	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-2150.82214410157576; Eh
	9-Jun-2026	/high-field_ESIneg PFEESA_C12	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1750.43118858959815; Eh
	9-Jun-2026	/high-field_ESIneg PFEESA_C13	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1750.43464054679657; Eh
	9-Jun-2026	/high-field_ESIneg PFEESA_C20	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1750.43594492500961; Eh
	9-Jun-2026	/high-field_ESIneg PFEESA_C16	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1750.43869994472584; Eh
	9-Jun-2026	/high-field_ESIneg PFHxS_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-2150.81874169677030; Eh
	9-Jun-2026	/high-field_ESIneg PFEESA_C2	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1750.42498703679576; Eh
	9-Jun-2026	/high-field_ESIneg PFEESA_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1750.43756685489097; Eh

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