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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_APCI Hexanone_protonate_C10	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-311.46442646610706; Eh
	9-Jun-2026	/high-field_APCI Hexanone_protonate_C4	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-311.46396521437867; Eh
	9-Jun-2026	/low-field_CCS Fenamiphos_sulfone_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1679.64010425603692; Eh
	9-Jun-2026	/low-field_CCS Fenamiphos_sulfone_C1013	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1679.63883050916274; Eh
	9-Jun-2026	/low-field_CCS Fenamiphos_sulfone_C1020	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1679.63238464323854; Eh
	9-Jun-2026	/low-field_CCS Fenamiphos_sulfone_C84	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1679.63541982443144; Eh
	9-Jun-2026	/low-field_CCS Hexythiazox_C12	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1779.33206556065920; Eh
	9-Jun-2026	/low-field_CCS Hexythiazox_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1779.34214165224262; Eh
	9-Jun-2026	/low-field_CCS EDimethomorph_C15	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1629.75531294734083; Eh
	9-Jun-2026	/low-field_CCS Flufenacet_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1654.07943442074065; Eh

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