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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Mar-2023	CLOPIDOGREL_1	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1683.40753223; Eh
	31-Mar-2023	DIAZOXIDE_2	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1427.82408188; Eh
	31-Mar-2023	DICHLORVOS_1	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1719.80200896; Eh
	31-Mar-2023	Benalaxyl_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1056.90538661; Eh
	31-Mar-2023	ANILINE_0	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-287.97836524; Eh
	31-Mar-2023	Chloroxuron_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1301.23781825; Eh
	31-Mar-2023	Chloroxuron_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1301.24794440; Eh
	31-Mar-2023	Chloroxuron_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1301.23743124; Eh
	31-Mar-2023	Dimethoate_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1616.46921712; Eh
	31-Mar-2023	Dimethoate_0e	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1616.45873055; Eh

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