Atoms N 0.000 0.724 0.000 f=m H 0.477 1.094 0.826 f=m H 0.477 1.094 -0.826 f=m H -0.954 1.094 0.000 f=m B 0.000 -0.924 -0.000 f=n H 1.174 -1.244 -0.000 f=n H -0.587 -1.243 1.017 f=n H -0.587 -1.243 -1.017 f=n End STOFIT charge 0 fragments m t21.frag1 n t21.frag2 Basis Type TZP Core none End integration 7 7 7 Symmetry Nosym XC GGA PBE END SAVE TAPE10 ETSNOCV print etslowdin End Input