Hello OpenBabel developers, Greetings!
I am coding to read the coordinates from gaussian log file using OpenBabel libraries. Having the coordinates, I calculate molecular electric moments up to quadrupoles. To compare my results to QM, particularly for quadrupoles, I need to have the "Standard Orientation” as Gaussian does Population analysis in the Standard Orientation. My question is that when I use OpenBabel to extract the coordinate, does it return the Standard Orientation? Thanks, Mohammad ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
