Dominic P. Guaņa
organicchemistry_01@yahoo.com.ph
I am making the nickel atom to rotate around the oxygen atom in the urea molecule for 180 degrees at a fixed distance from nickel and oxygen atom. But the result is strange, and i cant even make it rotate around the oxygen atom. I have attach my input file for this.
I am using PC GAMESS 7.1f
 | This message contains the 2 kb attachment [ idft_op_urea_nickel1.txt ] urea nickel PES |
[ This message was edited on Wed Oct 7 '09 at 2:19am by the author ]
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