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Tautomer energy comparison

using model chemistry: QCISD/6-311G**

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 -8 -7 allene propyne -1
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -48 -49 Cyclobutene 1,3-Butadiene 2
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -47 -51 1,2-Butadiene 1,3-Butadiene 4
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 0 3 1,2-Butadiene 1-Butyne -3
C4H6 sketch of 1,2-Butadiene sketch of 2-Butyne -19 -17 1,2-Butadiene 2-Butyne -2
C3H6O sketch of Oxetane sketch of Propanal -119 -110 Oxetane Propanal -9
C4H8 sketch of cyclobutane sketch of 1-Butene -24 -33 cyclobutane 1-Butene 9
C5H8 sketch of 1,2-Butadiene, 3-methyl- sketch of 1,3-Butadiene, 2-methyl- -46 -52 1,2-Butadiene, 3-methyl- 1,3-Butadiene, 2-methyl- 5