CamCASP/Bugs/7

Most of the polarizabilities generated by CamCASP show the expected monotonic decrease with increasing imaginary frequency. A few, however, depart wildly from this behaviour. In the example case of formamide, we get, for C,

20 20
            3.74300000      3.98200000      5.26700000      8.33300000 +++
           11.43900000     11.41700000      7.41600000      2.64700000 +++
            0.42400000      0.01400000

with similar behaviour for C 11c 20, C 22c 22s and O 11c 20, but none of the other cases. Except possibly for 11c 20 the numbers are too big to be attributable to rounding error.