NBO 5.9 for Gaussian 09
What is NBO 5.9?
NBO 5.9 is NBO 5 for Gaussian 09(TM) users. It provides
the same full-functional link compatibility with G09
source code as NBO 5.G/NBO 5.0 for preceding G03/G9X
Gaussian versions. NBO 5.9 is also fully compatible
with other standard ESS/NBO5 interfaces (GAMESS, NWChem,...)
supported by earlier NBO 5 versions. Through the flexible
options of the enable.f "enabler" program, it also allows creation
of G03/NBO5 and
stand-alone GENNBO programs on diverse 32- and 64-bit platforms. NBO 5.9
should be considered to supercede NBO 5.G for G03 users.
Why is NBO 5.9 necessary for Gaussian 09 users?
Numerous changes in Gaussian program infrastructure (COMMON blocks,
subroutine arguments and names, etc.) were introduced in Gaussian 09,
inconsistent with the earlier G03/NBO5 interface.
What keyword options does NBO 5.9 support?
NBO 5.9 has been checked for interactive options supported by previous
G9X/NBO5 packages, including NCS, NJC, and $DEL energetic
analysis. NBO 5.9 (unlike NBO 3.1 of native Gaussian distributions)
also provides valid PLOT files for the
NBOView orbital
viewer. However, NBO 5.9 is incompatible with PBC periodic boundary
condition options as implemented in Gaussian 09.
What special documentation is provided with NBO 5.9?
From a user's perspective, NBO keyword usage in NBO 5.9 is identical
to that described in a standard NBO 5.0 program manual
(included). The only changes in documentation
are those pertaining to the
revised G09 installation procedure,
Appendix A. This procedure
is supported by the revised enable.f "enabler" program,
included with the NBO 5.9 distribution. See the
order form for further details.
Can NBO 5.9 be used to upgrade binary G09?
No. Upgrading the l607.exe of binary G09 requires strict
consistency with the hardware and software environment
employed by Gaussian Inc., so at present only source G09
users have the possibility of this upgrade.
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