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lingmingli

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Warning: SYMDEC file generation reset to off

Warning: ecp             takes precedence over using  symmetrized basis
  Warning: Existing HESSIAN file deleted.
A frequency calculation will be restarted using the information on file HESSWK.
Calculation is Spin_restricted


Warning: no SYM file, no symmetry used in vibrational analysis
Warning: at least C1 SYM file should be there for optgeom

[ Last edited by lingmingli on 2012-5-22 at 14:18 ]
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