CCL: query on NEDA
- From: Darpan Aulakh <darpan.aulakh2011-#-gmail.com>
- Subject: CCL: query on NEDA
- Date: Sun, 27 Nov 2011 20:27:35 -0800
I want to perform NEDA calculation for water dimer at B3LYP/aug-cc-pvtz
level using the B3LYP/aug-cc-pvtz optimized geometry. I have NBO 5.9
running on Gamess. I have performed this calculation using the keyword
GBASIS = TZV but the results dont match with the reported ones. Sir
please let me know if any other keyword is also to be used???