CCL: Re : CCL: Question abaut NBO analysis calculation in GENNBO 5.0



 Sent to CCL by: may abdelghani [may01dz.:.yahoo.fr]
 Hi,
 It's easy with the ORCA (http://cec.mpg.de/home.html) program:
 1.install  GENNBO 5.0 normaly (install it in the folder"C:/gennbo",
 for exemple)
 2.link GENNBO 5.0 to ORCA by typing the folowing command (in CMD):
 set NBOEXE="C:/gennbo"
 3.In the same CMD box(Which is typted on the link command), calling ORCA by
 typing the command:
 C:/path to ORCA/ORCA.exe input.inp > output.out
 *.*47 file will appear in the same folder with the same name of your input file
 For more information briefed on the ORCA forum
 --------------------------------------------
 En date de : Jeu 18.9.14, Adel Reisi areisi{=}kashanu.ac.ir
 <owner-chemistry#ccl.net> a écrit :
  Objet: CCL: Question abaut NBO analysis calculation in GENNBO 5.0
  À: "Abdelghani, May " <may01dz#yahoo.fr>
  Date: Jeudi 18 septembre 2014, 10h49
  Sent to CCL by: "Adel  Reisi" [areisi]~[kashanu.ac.ir]
  Dear...
  I want to do an NBO calculation  in GENNBO 5.0 and I
  need to ***.47 file but I can not create it in windows.
  Please help to me, if it is possible to you.