Steps for IR Active/Raman Active bands:

1.  Number of unshifted atoms for each symmetry operation in table;

2.  Character per atom from reference table:

        E       3

        C       -1
         2

        Sigma   1

        C       0
         3

        C       1
         4

        C       2
         6

        i       -3

        S       -2
         3

        S       -1
         4

        S       0
         6
                                     _
3.  Calculate Total Representation (| ) [u.a. X c/a];

4.  Use formula to calculate number of each species needed for Total
    representation;

5.  Subtract Translations and Rotations:

        Identify Translations by x,y,z
        Indentify Rotations by R terms

           _ '
    Gives |

6.  Any species left with x,y,z are IR active; 

    For Raman activity, any species left with alpha term
                      2   2   2
    [likely shown as x , y , z  in far right column of table]


7.  Determine MIN/MAX IR and RAMAN