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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Mar-2023	2AMINOETHYLPHOS_2	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-703.34673523; Eh
	31-Mar-2023	2_MERCAPTOBENZOTHIAZOLE_2	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1121.22738025; Eh
	31-Mar-2023	345_TRIBROMOPYRIDINE	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-7969.48751923; Eh
	31-Mar-2023	AMODIAQUINE_7	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1475.55678750; Eh
	31-Mar-2023	AMODIAQUINE_8	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1475.56147177; Eh
	31-Mar-2023	AZELASTINE_S_1	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1552.95528242; Eh
	31-Mar-2023	AZELASTINE_S_2	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1552.93607156; Eh
	31-Mar-2023	ANAGRELIDE_3	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1545.58836674; Eh
	31-Mar-2023	AZELASTINE_S_6	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1552.95733179; Eh
	31-Mar-2023	AZELASTINE_S_5	Ieritano, Christian; Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1552.93576113; Eh

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