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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Oct-2022	S1	Katzenburg, Felix	Orca; 5.0.3; RELEASE	Geometry optimization Minimum; Single point	UKS; UKS	def2-SVP; def2-TZVPP	-1448.46289009; -1450.12816998; Eh; Eh
	6-Oct-2022	S2_trip	Katzenburg, Felix	Orca; 5.0.3; RELEASE	Geometry optimization Minimum; Single point	UKS; UKS	def2-SVP; def2-TZVPP	-1771.43179280; -1773.22028388; Eh; Eh
	6-Oct-2022	S1_trip	Katzenburg, Felix	Orca; 5.0.3; RELEASE	Geometry optimization Minimum; Single point	UKS; UKS	def2-SVP; def2-TZVPP	-1448.40173041; -1450.01815338; Eh; Eh
	6-Oct-2022	S2	Katzenburg, Felix	Orca; 5.0.3; RELEASE	Geometry optimization Minimum; Single point	UKS; UKS	def2-SVP; def2-TZVPP	-1771.54287793; -1773.30458081; Eh; Eh
	6-Oct-2022	S3	Katzenburg, Felix	Orca; 5.0.3; RELEASE	Geometry optimization Minimum; Single point	UKS; UKS	def2-SVP; def2-TZVPP	-1336.40757730; -1337.98332726; Eh; Eh
	6-Oct-2022	S3_trip	Katzenburg, Felix	Orca; 5.0.3; RELEASE	Geometry optimization Minimum; Single point	UKS; UKS	def2-SVP; def2-TZVPP	-1336.36429369; -1337.90286430; Eh; Eh
	6-Oct-2022	S4_trip	Katzenburg, Felix	Orca; 5.0.3; RELEASE	Geometry optimization Minimum; Single point	UKS; UKS	def2-SVP; def2-TZVPP	-1411.51296443; -1413.14255710; Eh; Eh
	6-Oct-2022	S5_trip	Katzenburg, Felix	Orca; 5.0.3; RELEASE	Geometry optimization Minimum; Single point	UKS; UKS	def2-SVP; def2-TZVPP	-1450.78009265; -1452.44706849; Eh; Eh
	6-Oct-2022	S6	Katzenburg, Felix	Orca; 5.0.3; RELEASE	Geometry optimization Minimum; Single point	UKS; UKS	def2-SVP; def2-TZVPP	-1667.82737567; -1669.49677499; Eh; Eh
	6-Oct-2022	S5	Katzenburg, Felix	Orca; 5.0.3; RELEASE	Geometry optimization Minimum; Single point	UKS; UKS	def2-SVP; def2-TZVPP	-1450.89447770; -1452.52908716; Eh; Eh

Results 1-10 of 26 (Search time: 0.001 seconds).