How to print cartesian atomic multipolar moments and dipole integrals of the x, y, z components?
This is shown in gamess as shown in the figure below.
Right now it is possible to print the first and second moment of each MO using the print_radii_gyre
keyword (10.2.3 Multipole Moments‣ 10.2 Wave Function Analysis ‣ Chapter 10 Molecular Properties and Analysis ‣ Q-Chem 6.0 User’s Manual) and the raw multipole integral matrix elements (in low precision) using iprint = 300
(see here).
Thanks for your help.
These will be saved to the formatted checkpoint and qarchive files for the upcoming 6.0.2 release. See my comment at Dipole matrix for AO basis - #4 by ericb for more details.