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hxqiuling

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# oniom(b3lyp/6-31g(d,p):uff) opt  
  
2-layer oniom optimization
  
0 1 0 1 0 1
  f        -1.041506214819      0.000000000000     -2.126109488809 m
  f        -2.033681935634     -1.142892069126     -0.412218766901 m
  f        -2.033681935634      1.142892069126     -0.412218766901 m
  c        -1.299038105677      0.000000000000     -0.750000000000 m h 4
  c         0.000000000000      0.000000000000      0.000000000000 h
  h         0.000000000000      0.000000000000      1.100000000000 h
  o         1.125833024920      0.000000000000     -0.650000000000 h
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zhangmt

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gmy1990: ½ð±Ò+2 2014-03-18 05:46:05
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hxqiuling

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by zhangmt at 2014-03-17 21:16:49
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No executable for file l120.exe.
Search path GAUSS_EXEDIR is "D:\ql\g09w"
3Â¥2014-03-18 09:23:32
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hxqiuling

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by hxqiuling at 2014-03-18 09:23:32
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No executable for file l120.exe.
Search path GAUSS_EXEDIR is "D:\ql\g09w"...

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