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Tautomer energy comparison

using model chemistry: MP2/CEP-121G

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 -32 -7 allene propyne -25
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -70 -49 Cyclobutene 1,3-Butadiene -20
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -55 -51 1,2-Butadiene 1,3-Butadiene -4
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne -21 3 1,2-Butadiene 1-Butyne -24
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -102 -82 1-Methylcyclopropene 1,2-Butadiene -20
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 52 42 Methylenecyclopropane 1-Methylcyclopropene 10
C3H6O sketch of Oxetane sketch of Propanal -128 -110 Oxetane Propanal -18
C4H8 sketch of cyclobutane sketch of 1-Butene -39 -33 cyclobutane 1-Butene -6
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 62 29 2-Propenoic acid β–Propiolactone 33
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- 9 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- 5
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 26 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 1
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 66 64 1,3-Pentadiene, (E)- 1,2-Pentadiene 2
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -54 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- -2
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -5 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- 1