Somewhere in the Angstrom / NM discussion the GAMESS output gut confused and in the 2.00 release is incorrectly outputting values in nm and not Angstroms. I pushed the changes to the CVS and have new archives available at: http://www.uiowa.edu/~ghemical/dist/ghemical-2.01.tar.gz md5=7a160160c80f213b43485613a5ca2d75 The changes are also in CVS that you pulled. (should be at least).