Charge density map problem


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Forum Vet
Check geometry of the system...
From the cube file output it is clear that your molecule is not in the -10 to 10 angstrom reference frame. See for example:

  6    6.000000   16.228967   -0.075589   42.755050
1 1.000000 17.572562 -0.995886 44.021167
1 1.000000 15.616696 1.710202 43.605427
8 8.000000 14.129481 -1.727210 42.397892

This first part of the cube file are the atoms. You should be able to look at this in the output too. Hence, you should check the physical space the atoms are in and set your cube coordinates accordingly.

Bert