I carry out the natural energy decomposition analysis (NEDA) on gamess with b3lyp/6-311++g(d,p) level for the complex in the less distances of the local minimum but unfortunately, the output is unusual, would you please help me out for this problem?
I attached the input of this complex.
Debasish Mandal
Please see the page http://nbo6.chem.wisc.edu/tut_neda.htm. There are a a number of sample input about NEDA. Hope it helps.
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Sara Karachi
thank you dear Debasish Mandal for response,all of the out put are correct except the out put of the less distance of local minimum.
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