Help on GAMESS



 Hello all,
     I'm wondering if there is someone who can help me on GAMESS. I'm
 trying to
 run a test calculation on tetrahedral ZrF4, but when I enter with the
 geometry unique
 atoms, GAMESS gives me an octahedra! My question is simple: What's
 wrong?
 The input and the result I have is following below. I thank in advance
 any help you
 could give-me.
 INPUT:
  $CONTRL SCFTYP=UHF RUNTYP=OPTIMIZE ECP=SBK $END
  $CONTRL EXETYP=CHECK $END
  $DATA
  --  Geometria de equilibrio do ZrF4
  TD
 Zircon 40 0.0 0.0 0.0
  SBK
 Fluor   9 0.0 0.0 2.15
  N31  6
  $END
 OUTPUT:
           INTERNUCLEAR DISTANCES (ANGS.)
           ------------------------------
                     ZIRCON         FLUOR          FLUOR
 FLUOR          FLUOR          FLUOR          FLUOR
   1  ZIRCON          0.0000000      2.1500000 *    2.1500000 *
 2.1500000 *    2.1500000 *    2.1500000 *    2.1500000 *
   2  FLUOR           2.1500000 *    0.0000000      3.0405592
 3.0405592      3.0405592      3.0405592      4.3000000
   3  FLUOR           2.1500000 *    3.0405592      0.0000000
 4.3000000      3.0405592      3.0405592      3.0405592
   4  FLUOR           2.1500000 *    3.0405592      4.3000000
 0.0000000      3.0405592      3.0405592      3.0405592
   5  FLUOR           2.1500000 *    3.0405592      3.0405592
 3.0405592      0.0000000      4.3000000      3.0405592
   6  FLUOR           2.1500000 *    3.0405592      3.0405592
 3.0405592      4.3000000      0.0000000      3.0405592
   7  FLUOR           2.1500000 *    4.3000000      3.0405592
 3.0405592      3.0405592      3.0405592      0.0000000
   * ... LESS THAN  3.000
 --
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                             Gustavo de Miranda Seabra
 MSc Student in Chemistry                     E-Mail: seabra ^at^ npd.ufpe.br
 Universidade Federal de Pernambuco - Recife - Pernambuco - Brazil
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