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Two-, three-, and four-bond  19 F- 19 F spin-spin coupling constants (  n J  FF ) for a set of small fluoro-substituted organic molecules have been computed using  ab initio  equation-of-motion coupled cluster singles and doubles (EOM-CCSD) theory. The computed values reproduce the experimental signs and magnitudes of   n J  FF . The straight line that relates the experimental and computed coupling constants has a slope of approximately 1 and passes through the point (0,0 Hz) within the uncertainties of the fit. Hence, EOM-CCSD values of   n J  FF  should be excellent predictors of experimental values when these are not available. All of the components of   n J  FF  except for the diamagnetic spin-orbit term may be large and must be evaluated if agreement between theory and experiment is to be obtained.

Computed EOM-CCSD 19 F- 19 F Spin-Spin Coupling Constants in Small Organic Molecules