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Re^4: unexpected energy curve from rsurface.
Dominic P. Guaņa
organicchemistry_01@yahoo.com.ph
its not, i have configured the two lines after Cs in $DATA to mirror to the negative xy plane... the plane of symmetry is at zy... and the nickel atom lies exactly in zy plane so it will not be mirrored... ^_^... ...i have successful run the input file and it terminated normally... ...my problem is it does not show the expected energy curve... ...im using PC GAMESS 7.1F (Firefly)...On Thu Oct 22 '09 1:01pm, sanya wrote
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>I'm afraid, Cs in $DATA group will force GAMESS to place 2 Ni atoms on both sides of urea plane. Can you attach your output?
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Thu Oct 22 '09 2:03pm
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