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Tautomer energy comparison

using model chemistry: PBEPBE/aug-cc-pVTZ

17 10 12 10 46
formula sketch Energy (kJ mol-1) Name difference
A B calculated experiment A B
C3H4 sketch of allene sketch of propyne 14 -7 allene propyne 21
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -39 -51 1,2-Butadiene 1,3-Butadiene 12
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 26 3 1,2-Butadiene 1-Butyne 23
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -5 -17 1,2-Butadiene 2-Butyne 12
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -47 -49 Cyclobutene 1,3-Butadiene 2
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -76 -82 1-Methylcyclopropene 1,2-Butadiene 6
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 47 42 Methylenecyclopropane 1-Methylcyclopropene 6
C3H6O sketch of Oxetane sketch of Propanal -106 -110 Oxetane Propanal 4
C4H8 sketch of cyclobutane sketch of 1-Butene -23 -33 cyclobutane 1-Butene 9