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Tautomer energy comparison

using model chemistry: B97D3/TZVP

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 -44 -51 1,2-Butadiene 1,3-Butadiene 7
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 25 3 1,2-Butadiene 1-Butyne 21
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -2 -17 1,2-Butadiene 2-Butyne 15
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -70 -49 Cyclobutene 1,3-Butadiene -21
C4H6 sketch of 1-Methylcyclopropene sketch of 1,2-Butadiene -89 -82 1-Methylcyclopropene 1,2-Butadiene -6
C4H6 sketch of Methylenecyclopropane sketch of 1-Methylcyclopropene 46 42 Methylenecyclopropane 1-Methylcyclopropene 5
C3H6O sketch of Oxetane sketch of Propanal -126 -110 Oxetane Propanal -16
C3H4O2 sketch of 2-Propenoic acid sketch of β–Propiolactone 45 29 2-Propenoic acid β–Propiolactone 16
C4H6S sketch of Thiophene, 2,5-dihydro- sketch of Thiophene, 2,3-dihydro- -2 4 Thiophene, 2,5-dihydro- Thiophene, 2,3-dihydro- -7
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,4-Pentadiene 35 25 1,3-Pentadiene, (E)- 1,4-Pentadiene 10
C5H8 sketch of 1,3-Pentadiene, (E)- sketch of 1,2-Pentadiene 59 64 1,3-Pentadiene, (E)- 1,2-Pentadiene -5
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -44 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- 8
C4H8O sketch of Butanal sketch of Furan, tetrahydro- 51 29 Butanal Furan, tetrahydro- 21
C5H10 sketch of 1-Butene, 2-methyl- sketch of 2-Butene, 2-methyl- -10 -5 1-Butene, 2-methyl- 2-Butene, 2-methyl- -5
C5H10 sketch of Cyclopropane, 1,1-dimethyl- sketch of 1-Butene, 2-methyl- -36 -29 Cyclopropane, 1,1-dimethyl- 1-Butene, 2-methyl- -7
C6H8 sketch of 1,4-Cyclohexadiene sketch of 1,3-Cyclohexadiene -2 -3 1,4-Cyclohexadiene 1,3-Cyclohexadiene 0