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Originally posted by ludeng at 2010-10-20 17:05:30:
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ludeng

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Originally posted by ÓÎ×Ó8921 at 2010-10-20 20:59:35:
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# HF/6-31G(d,p) Freq Test

Frequencies at STP
      
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# HF/6-31G(d,p) Freq(ReadIso,ReadFC) Geom=Check Test

Repeat at 300 K

0,1
      
300.0 1.0
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