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Originally posted by ludeng at 2010-10-20 17:05:30:
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4Â¥2010-10-20 20:59:35
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ludeng

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Originally posted by ÓÎ×Ó8921 at 2010-10-20 20:59:35:
ÄܸæËßÎÒÔõô°ìµÄÂð

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Chk=freq
# HF/6-31G(d,p) Freq Test

Frequencies at STP
      
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--Link1--
%Chk=freq
%NoSave
# HF/6-31G(d,p) Freq(ReadIso,ReadFC) Geom=Check Test

Repeat at 300 K

0,1
      
300.0 1.0
16
2
3
...



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