Stretching force constants and derivatives of the dipole moment of the F-HNCH hydrogen-bonded complex. Preliminary results at the SCF level

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Quadratic, cubic and quartic force constants associated with the proton bridge of F-HNCH, and derivatives, up to third order, of the electric dipole moment have been computed at the SCF level. 6–31 split-valence and (10s6p) Dunning basis sets have been used to investigate the related two-dimensional surfaces. The vFH and the vFHN modes have been reconstructed.