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Topic: Gaussian Calculations: Meaning of "Condensed to atoms'  (Read 4137 times)

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Offline stevet

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Gaussian Calculations: Meaning of "Condensed to atoms'
« on: November 16, 2009, 05:12:12 PM »
I have been doing some calcuations on Gaussian 03, and have a query about the part of the Output file with the heading of "condensed to atoms (all electrons)". From what I can gather in the internet, it is a sum of the electrons on that particular atom, as well as that number (or fraction) of electrons shared with other atoms. Is this correct, and if so, what is the meaning of a negative value in said table?

Regards
Steve

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