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Orca/NBO6 Installation Guide
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To use NBO6 with Orca 3.0:

 * install Orca as described in the Orca documentation

 * install NBO6 as described in nbo6/README

 * set environment variables GENEXE and NBOEXE

   setenv GENEXE /path/to/nbo6/bin/gennbo.i8.exe
   setenv NBOEXE /path/to/nbo6/bin/nbo6.i8.exe

Orca's NBO and NPA keywords direct Orca to write a FILE47 (archive)
file that is then passed to GenNBO.  Output from GenNBO is printed in
the Orca output file.  The archive file is retained at the end of the
calculation and can be used for subsequent analysis with GenNBO.

Deletions and natural energy decomposition analysis are not supported
by Orca.

Sample input (.inp) and output (.arc) files are given in
nbo6/tests/orca.

Last updated: 11-Jul-2014