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Re^6: unexpected energy curve from rsurface.

Dominic P. Guaņa
organicchemistry_01@yahoo.com.ph


...this is one of the output files... ...this is for the distance of about 6 A
On Sat Oct 24 '09 3:18am, sanya wrote

THANXS in advance...
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>Can I see your output file? I am almost sure there is something wrong with the geometry.

This message contains the 2226 kb attachment
[ odft_op_urea_nickel.txt ]

[ This message was edited on Sun Oct 25 '09 at 1:40pm by the author ]


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