Electronic structure of unstable intermediates. II. The electronic structure of NNC, NCN, NCC, and CNC

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Abstract
Ab initio LCAO MO SCF calculations of the equilibrium bond lengths in the linear molecules NNC, NCN, NCC, and CNC have been carried out, using DZ and DZ+P Slater orbital basis sets. The results are in reasonable agreement with experiment. Population analyses of the wavefunctions show these are very sensitive to the basis set used.