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Title	Author(s)	Program	Method(s)	Basis Set	Energy
/Pathway_c5c4_cat B1	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-651.943278985; Eh
/Pathway_c5c4_cat B1_Al	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-2221.94449429; Eh
/Pathway_c5c4_cat TS1	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.24961430; Eh
/Pathway_c5c4_cat Int1_k2	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.28781513; Eh
/Pathway_c5c4_cat Int2C	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.28553854; Eh
/Pathway_c5c4_cat Int2C-k2	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.27227896; Eh
/Pathway_c5c4_cat TS2C_LS	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.21919759; Eh
/Pathway_c5c4_cat Int2C_Lig	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.29495808; Eh
/Pathway_c5c4_cat TS2C-SL	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.22175989; Eh
/Pathway_c5c4_cat Int3C	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.31144320; Eh
/Pathway_c5c4_cat Int4C	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.32245540; Eh
/Pathway_c5c4_cat TS4C	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.27551501; Eh
/Pathway_c5c4_cat C1_Al	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-4796.30521672; Eh
/Pathway_c5c4_no_cat B1	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-651.943278985; Eh
/Pathway_c5c4_no_cat TS1A	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-3226.22114628; Eh
/Pathway_c5c4_no_cat Int1A	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-3226.23156897; Eh
/Pathway_c5c4_no_cat Int2B	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-3226.20773723; Eh
/Pathway_c5c4_no_cat Int3B	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-3226.25144064; Eh
/Pathway_c5c4_no_cat Int4B	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-3226.26142345; Eh
/Pathway_c5c4_no_cat TS4B	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-3226.24612549; Eh
/Pathway_c5c4_no_cat C1	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-651.985868487; Eh
/Pathway_c4c5_cat B1	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-651.943278985; Eh
/Pathway_c4c5_cat Al	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-1569.96508434; Eh
/Pathway_c4c5_cat Br	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-2574.30674557; Eh
/Pathway_c4c5_cat B1_Al	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	RwB97XD	6-311G(D,P)	-2221.94449429; Eh