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1/2 Å. The accuracy of the calculations was checked by comparison of each matrix element with its transpose.
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0001968788
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Ab initio calculations of CI wave functions and induced transition moments have been performed with the GAMESS-DAKOTA package: Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Koseki, S.; Gordon, M. S.; Nguyen, K. A.; Windus, T. L.; Elbert, S. T. QCPE Bull. 1990, 10, 52.
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note
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g state has been shown to be planar at all levels of ab initio theory (see, for example, refs 4, 17, and 18).
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