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Title	Author(s)	Program	Method(s)	Basis Set	Energy
B-rot	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5472129; Eh
TS-BC-rot	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5347372; Eh
C-rot	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5442061; Eh
TS-CD-rot	Díaz-Ruiz, Marina	Gaussian; 09; EM64L-G09RevD.01	RB3LYP	CC-PVTZ GENECP	-3141.5379338; Eh
F14-I	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3731.1647776; Eh
F8_I	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3731.1676482; Eh
substrate_I_toluene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-1829.4599686; Eh
macrolactone_I_toluene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-1750.8267216; Eh
lactone6_I_toluene	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-756.6860152; Eh
/model_system Hoveyda_Grubbs_II	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2404.7629442; Eh
/model_system TS-precatA	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2404.7315717; Eh
/model_system A	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2404.743805; Eh
/model_system TS-AB	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5366674; Eh
/model_system B	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5444712; Eh
/model_system TS-BC	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5184807; Eh
/model_system C	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.542639; Eh
/model_system TS-CD	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5352069; Eh
/model_system D	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5435509; Eh
/model_system TS-DE	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-3141.5367119; Eh
/model_system E	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2638.5010302; Eh
/model_system TS-EFlact	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2638.5077286; Eh
/model_system Flact	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2638.5101802; Eh
/model_system TS-FGlact	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2638.4959369; Eh
/model_system Glact	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2638.5023683; Eh
/model_system TS-GHlact	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	RB3LYP	CC-PVTZ GENECP	-2638.490293; Eh