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Tautomer energy comparison

using model chemistry: CCSD/cc-pVTZ

17 10 12 10 46
formula sketch Energy (kJ mol-1) Name difference
A B calculated experiment A B
C4H6 sketch of 1,2-Butadiene sketch of 1,3-Butadiene -37 -51 1,2-Butadiene 1,3-Butadiene 14
C4H6 sketch of 1,2-Butadiene sketch of 1-Butyne 3 3 1,2-Butadiene 1-Butyne 0
C4H6 sketch of Cyclobutene sketch of 1,3-Butadiene -40 -49 Cyclobutene 1,3-Butadiene 10
C3H6O sketch of Oxetane sketch of Propanal -111 -110 Oxetane Propanal -1