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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jun-2026	r2SCAN0-D4	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	DFT	def2-QZVPPD	-270.13358250; Eh
	9-Jun-2026	r2SCAN-D4	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	DFT	def2-QZVPPD	-270.16557905; Eh
	9-Jun-2026	r2SCAN2-Pr2SCAN	Maiz Pastor, Pablo	Orca	Single point	DFT	def2-QZVPPD; AutoAux	-269.69483107; Eh
	9-Jun-2026	PBE-D4	Maiz Pastor, Pablo	Orca; 5.0.3; RELEASE	Single point	DFT	def2-QZVPPD	-269.97211209; Eh
	9-Jun-2026	/low-field_CCS Chlorantraniliprole_C8	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-4613.66378424281174; Eh
	9-Jun-2026	/low-field_CCS Chlorantraniliprole_C2	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-4613.66761784584742; Eh
	9-Jun-2026	/low-field_CCS Chlorantraniliprole_C6	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-4613.66962077544122; Eh
	9-Jun-2026	/low-field_CCS Chlorantraniliprole_C4	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-4613.67637731292143; Eh
	9-Jun-2026	/low-field_CCS Chlorpropamide_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-1582.93252468388687; Eh
	9-Jun-2026	/low-field_CCS Buprofezin_C1	Haack, Alexander; Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1261.72188810264220; Eh

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