CCL: PCM-ONIOM

 Sent to CCL by: ying xiong [xiongying96*_*yahoo.com.cn]
 --Replace strange characters with the "at" sign to recover email
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 Dear sir,
      I have a question on how to do PCM
 calculation with ONIOM method. I had asked this
 question at CCL. A kind person told me that I can
 add " IOp(5/94=0)" to do PCM/ONIOM calculation.
     However, I still have some questions on
 PCM-ONIOM.
 (1) 0 stand for "Standard PCM calculation".
 However what does Standard PCM calculation" mean?
 Can I set solvent in the input like
 "solvent=water" ?
 (2)I have tried to do two calculations to compare
 the results:
 a: #   oniom(B3LYP/sto-3g:amber=softfirst)
 geom=connectivity   IOp(5/94=0)
 b: #   oniom(B3LYP/sto-3g:amber=softfirst)
 geom=connectivity
 The others information in the input file such as
 coordinates are the same as each other, but I
 find the output are also same. Where is the
 output of PCM calculation?
 　                 Ying Xiong
 　　　　　　　　xiongying96*_*yahoo.com.cn
 　　　　　　　　　　2005-09-26
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