Dear users,

I'm trying to do a frequencies calculation on a hexaaqua iridium 3+ ion
(with ADF 2000), and the previous geometry optimisation lead me to a d2h
symmetry. Now, the frequencies job stops giving me the following message
(with or without symmetry keyword; nosymm, c1, etc).

UNKNOWN SYMMETRY (SYMVEC):T(H) (copied to:T(H))

 
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 ADF EXIT called
 unknown symmetry. SYMVEC

 
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***

 Current Execution Stack has 5 elements
 Last to be Executed : ADF

 Stack of Active SubPrograms:
 ----------------------------
 GFRAMEORIENTFULLSYM
 GFRAME
 GEOSYM
 GEOMET
 ADF

Can someone help me ?

Best regards and happy new year to all !

                                        D. De Vito

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D. De Vito
Enseignant de Chimie et d'Informatique, Adjoint au Bureau de Gestion
Collège Rousseau
16A, Avenue du Bouchet
Case Postale 216
1211 Genève 28
Suisse
+4122 / 733.71.30 (Collège)
+4122 / 733.71.82 (Fax)

http://lcta.unige.ch/~devito (Page personnelle)
http://wwwedu.ge.ch/po/rousseau (Site officiel du Collège)

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Received on 2002-01-07 12:30:35