more about NBO analysis
 
 
 
 
 - From: Marius Retegan <retegan.marius * gmail.com>
 
 - Subject: more about NBO analysis
 
 - Date: Tue, 10 May 2005 15:45:47 +0200
 
 
 
 
 
 
 
 Hello again
 I would like to thank all the people that responded to my previous
 question. Although I've got some interesting suggestions none helped
 in solving my problem.
 I tried to perform a NBO analysis on a simpler compound, that is
 tungsten hexacarbonyl, but again only three of the CO units are
 bounded to W, and I get an error message " WARNING:  4 low occupancy
 (<1.9990e) core orbitals found on  W 3". I've tried to use resonance
 and  3cbond but didn't help.
 So, I am asking if anyone has a succesfull NBO analysis on tungsten
 carbonyls  or any carbonyls in general to give me the input for
 Gaussian.
 Thank you.
 Marius Retegan