Hello All,

While I'm trying to calculate some triatomics, sometimes the following error
occurs in ADF: "NO INDEPENDED BASIS PNTGRP". The error arises for certain
atomic coordinates only, and the most of the very similar jobs finish
normally. And I'd like to use exactly these coordinates because they are a
fragment of bigger complex.

I'm using SCM-built MPICH version of ADF 2004.1
Specifying SYMMETRY NOSYM doesn't help.

Could you please advice me, how to avoid this error? Thank you!

-- 
Best regards,
Gregory Shamov, postdoc
Department of Chemistry
University of Manitoba
mailto: shamov_at_cc.umanitoba.ca
Failed input file:
=======================================
Title  UO2* fragment, scalar ZORA
Maxmemoryusage 350
charge 2
Integration 5.5
Fragments
  U  t21.U
  O  t21.O
End
XC
 GGA PBE
End
Relativistic scalar ZORA
CorePotentials  t12.rel &
 U 1
 O 2
end
Atoms
 U  -0.08805237 1.53436388 0.10967927
 O  -0.07432753 1.54408904 1.91403292
 O  -0.10175797 1.52491548 -1.68930110
End
scf
 iterations 300
end
noprint sfo
End Input
==================================
Successful input file:
==================================
Title  UO2* fragment, scalar ZORA
Maxmemoryusage 350
charge 2
Integration 5.5
Fragments
  U  t21.U
  O  t21.O
End
XC
 GGA PBE
End
Relativistic scalar ZORA
CorePotentials  t12.rel &
 U 1
 O 2
end
Atoms
 U  1.94307902 0.68510844 4.51361839
 O  1.84658614 2.44494329 4.19964799
 O  2.05766155 -1.07011150 4.84682118
End
scf
 iterations 300
end
noprint sfo
End Input
=====================================