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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-May-2024	/Molecules AsO(OH)3	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RM06	DEF2TZVP DEF2SVP GEN	-308.548756635; Eh
	24-May-2024	/Molecules (S)-Sarin	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RM06	DEF2SVP GEN	-749.527937398; Eh
	24-May-2024	/Molecules AcOH	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	DEF2SVP GEN	-228.791664486; Eh
	24-May-2024	/Molecules AcMe	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	DEF2SVP GEN	-192.878750335; Eh
	24-May-2024	/Molecules DMMP	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	DEF2SVP GEN	-686.239961101; Eh
	31-May-2024	C6H6OH-i_Ox-H+-H2O	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	AUG-CC-PVTZ	-384.315972370; Eh
	31-May-2024	H3O+	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	AUG-CC-PVTZ	-76.7385188903; Eh
	31-May-2024	C6H5OH-i_Ox-H+_irc	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	-	AUG-CC-PVTZ	-307.867429595; Eh
	31-May-2024	C6H6OH-Ox_o-H+-anti-H2O	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	AUG-CC-PVTZ	-384.312524010; Eh
	31-May-2024	C6H6OH-i_o-H+-syn-H2O	Løyland, Sverre	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	AUG-CC-PVTZ	-384.355555325; Eh

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