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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Jul-2026	/PFASA FOSAA	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization; Single point Minimum; Single point	DFT	def2-TZVPPD; def2/J	-2834.11825397904067; -2834.12597867867635; -2823.36947651171977; Eh; Eh; Eh
	3-Jul-2026	/PFASA FHxSA	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization; Single point Minimum; Single point	DFT	def2-TZVPPD; def2/J	-2130.64783308429105; -2130.65313987170430; -2122.93560145115680; Eh; Eh; Eh
	3-Jul-2026	/PFASA FBSAA	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization; Single point Minimum; Single point	DFT	def2-TZVPPD; def2/J	-1882.93558489924089; -1882.94155786273268; -1876.00798949786349; Eh; Eh; Eh
	3-Jul-2026	/PFASA FBSEE	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization; Single point Minimum; Single point	DFT	def2-TZVPPD; def2/J	-1962.64654704610621; -1962.65571230707201; -1955.16801340769143; Eh; Eh; Eh
	3-Jul-2026	/PFASA FBSE	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization; Single point Minimum; Single point	DFT	def2-TZVPPD; def2/J	-1808.77890032569030; -1808.87593484426952; -1802.23505840903272; Eh; Eh; Eh
	3-Jul-2026	/PFASA FOSA	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization; Single point Minimum; Single point	DFT	def2-TZVPPD; def2/J	-2606.23421595745958; -2606.24454682525584; -2596.61569281017137; Eh; Eh; Eh
	3-Jul-2026	/PFASA FBSA	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization; Single point Minimum; Single point	DFT	def2-TZVPPD; def2/J	-1655.05605119184020; -1655.06053802788847; -1649.25454351316534; Eh; Eh; Eh
	3-Jul-2026	/Pesticides and Pharmaceuticals/DFT_OptFreq Tau Fluvalinate	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-2099.44753694764313; Eh
	3-Jul-2026	/Pesticides and Pharmaceuticals/DFT_OptFreq Lufenuron	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-2706.71856458395496; Eh
	3-Jul-2026	/Pesticides and Pharmaceuticals/DFT_OptFreq Fluoxetine	Armentrout, Peter; Ieritano, Christian; Dodds, James; Hopkins, Scott; Baker, Erin; Fry, Allison	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1088.66224740233474; Eh

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