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Tautomer energy comparison

using model chemistry: QCISD/3-21G

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 -15 -7 allene propyne -8
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -77 -49 Cyclobutene 1,3-Butadiene -28
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 62 42 Methylenecyclopropane 1-Methylcyclopropene 20
C3H6O sketch of Oxetane sketch of Propanal -123 -110 Oxetane Propanal -13
C4H8 sketch of cyclobutane sketch of 1-Butene -41 -33 cyclobutane 1-Butene -9
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- 8 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- 3
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -4 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- 1
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -59 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- -30