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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2025	TS-Int-2_dash1_T1_IRC	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1323.37091269662733; Eh
	12-Nov-2025	TS-Int-2_T1_IRC	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1323.37753204381124; Eh
	12-Nov-2025	TS-Int-2_T1_Opt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1323.37662013855970; Eh
	12-Nov-2025	TS-4e_S0_IRC	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1660.52146204089445; Eh
	12-Nov-2025	TS-4f_S0_Opt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1997.63115045287441; Eh
	12-Nov-2025	TS-4e_S0_Opt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1660.51698622078061; Eh
	12-Nov-2025	TS-Int-1_T1_Opt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1323.36588535267424; Eh
	12-Nov-2025	TS-Int-1_T1_IRC	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1323.39976311942337; Eh
	12-Nov-2025	MECP-5b_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point; Single point	DFT; DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene); def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.47080171088987; -1323.46988747598903; Eh; Eh
	12-Nov-2025	TS-Int-2_dash3_T1_Opt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1323.36696300145650; Eh

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