I have been working with ADF 1999 and the output of ESR gives the
g-tensor. the molecules i have been working with have been given C(S)
symmetry however the g-tensor does not look diagonalized:

   what i see:

        X 0.00 0.00 number
        Y 0.00 number 0.00
        Z number 0.00 0.00

i am assuming the matrix is of the form Columns: x y z and rows as shown
above. is this how it is working? or is it the inverse for the columns:
z y x?

thank you

Patrick Carl
University of Iowa
Chemistry Dept.
Received on 2000-02-16 21:58:25