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Re^2: unexpected energy curve from rsurface.

Dominic P. Guaņa
organicchemistry_01@yahoo.com.ph

Since urea molecule is symmetrical, I have only rotated the Ni atom in the plane of symmetry of the molecule.

So far 20A is the faster to calculate than other distances, i have tried 6, 5, 10 but still the same result.

On Wed Oct 21 '09 5:04pm, sanya wrote
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>Is is OK that your symmetry group is Cs? IMHO, it should be C1.

>Is it OK that your Ni atom is 20 A apart from urea molecule? isn't it too far?

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