The "cube" keyword in Gaussian

 Hi,
 I'm very sorry I'm pestering the whole list with my question but
 it looks as if I don't have any other alternative.
 We have a lot of customers who are using the GaussianXX program but
 we don't have too many tools for displaying the various properties
 GaussianXX produces.
 I want to plot the various properties produced by the "cube" keyword.
 Can anybody tell me why the reported atomic coordinates in the
 (formatted) checkpoint file differ from those in the (formatted)
 "cube" file?
 I don't see any reason why the molecule should be rotated before the
 density calculation?!
 I used the test example test257.com with the addition of
 "FormCheck=OptCart"
 to produce the checkpoint file.
 The atomic coordinates reported from the checkpoint file are:
  -1.26497203E+00 -7.44200832E-17  3.46449765E-01
  -1.26497203E+00 -7.44200832E-17  2.16058671E+00
   1.26497203E+00  7.44200832E-17 -5.48020537E-01
 and the atomic coordinates reported from the "cube" file:
   0.095021    1.308110    0.000000
  -1.615363    1.912823    0.000000
   0.095021   -1.375301    0.000000
 Regards,
 -leif laaksonen
 Ps. If anybody has a more accurate manual about the various file
     formats GaussinXX is using, please let me know from where you have
     got it. The current User's reference manual is not too helpful
     if one wants to interface a program with the GaussianXX output.
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 Leif Laaksonen                     |
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