$ diff -u paraneb.nw.org paraneb.nw --- paraneb.nw.org 2014-12-02 13:42:38.193261494 -0800 +++ paraneb.nw 2014-12-01 17:36:58.712488485 -0800 @@ -69,7 +69,7 @@ H 0.49073536 -5.20004597 4.99452155 H -0.36221390 -4.01745409 5.72979134 end -basis +basis "ao basis" n library 6-31G c library 6-31G h library 6-31G