Water minimization data accuracy

Table 3.2 contains analogous information concerning the intensities of the various vibrational inodes. Comparison with the data in the last row illustrates the difficulty in computing experimental intensities to a high degree of accuracy. As in the ease of the frequencies, it appears that the DZP basis set seems to perform about as well as any of the much more extended sets in a number of instances. Deletion of the polarization functions leads to erratic fluctuations in the intensities, particularly the Vj symmetric stretching frequency of water. Minimal and 3-2IG are especially bad and should be avoided. Correlation does not influence the intensities in an obvious predictable manner. 

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