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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Aug-2022	/Gaussian RuBPY	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1579.79753405; Eh
	22-Aug-2022	/Gaussian TS1ox	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	UM06L	DEF2SVP DEF2SVP/W06	-1558.17259406; Eh
	22-Aug-2022	/Gaussian TS1	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization TS	RM06L	DEF2SVP DEF2SVP/W06	-1558.33475226; Eh
	22-Aug-2022	/Orca 1	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1865.03700367; Eh
	22-Aug-2022	/Orca 3	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1559.21975840; Eh
	22-Aug-2022	/Orca 2	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1404.15024461; Eh
	22-Aug-2022	/Orca 4	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1405.34968161; Eh
	22-Aug-2022	/Orca TS3Aox	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1560.17302139; Eh
	22-Aug-2022	/Orca TS3Box	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1405.10672689; Eh
	22-Aug-2022	/Orca TS3B	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1405.29406478; Eh

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