From owner-chemistry #at# ccl.net Fri Sep 19 13:03:00 2014
From: "may abdelghani may01dz^-^yahoo.fr" <owner-chemistry[A]server.ccl.net>
To: CCL
Subject: CCL: Re : CCL: Question abaut NBO analysis calculation in GENNBO 5.0
Message-Id: <-50517-140919130135-14827-0zVRC7s7OZUi+F5zxCSkxw[A]server.ccl.net>
X-Original-From: may abdelghani <may01dz]![yahoo.fr>
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Date: Fri, 19 Sep 2014 18:01:24 +0100
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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
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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.