diff -Naurp nwchem.orig/src/geom/geom_hnd.F nwchem/src/geom/geom_hnd.F --- nwchem.orig/src/geom/geom_hnd.F 2014-09-10 18:11:03.000000000 +0000 +++ nwchem/src/geom/geom_hnd.F 2015-01-28 16:14:38.249027101 +0000 @@ -1644,7 +1644,7 @@ c nlnba=3*mxlnba if (.not. zdone) goto 55555 ! attempt to recover c - if (nzvar .gt. 10*(max(6,3*nat-6))) then + if (nzvar .gt. 20*(max(6,3*nat-6))) then c c Made a z-matrix but it is asburdly big. Nothing yet to fix this c