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Tautomer energy comparison

using model chemistry: QCISD/6-31G*

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 -5 -7 allene propyne 1
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -77 -82 1-Methylcyclopropene 1,2-Butadiene 5
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 46 42 Methylenecyclopropane 1-Methylcyclopropene 4
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -48 -51 1,2-Butadiene 1,3-Butadiene 4
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 4 3 1,2-Butadiene 1-Butyne 1
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -18 -17 1,2-Butadiene 2-Butyne -1
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -48 -49 Cyclobutene 1,3-Butadiene 1
C3H6O sketch of Oxetane sketch of Propanal -116 -110 Oxetane Propanal -6
C4H8 sketch of cyclobutane sketch of 1-Butene -24 -33 cyclobutane 1-Butene 9
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 27 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 2
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 61 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -4