CCL: NBO + l607.exe error

Ya Eric, your conclusion is exact right. Full NBO is not available for semiempirical methods. NPA is only available for them.

MO

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On Tue, 9 Jul 2019 at 2:26 am, Eric V. Patterson eric.patterson^stonybrook.edu
<owner-chemistry..ccl.net> wrote:
Are you certain that PM7 is supported by your version of NBO?

Sent from my iPhone 

On Jul 8, 2019, at 5:12 PM, mo.fateh*yahoo.com mo.fateh*yahoo.com <owner-chemistry ~~ ccl.net> wrote:

Could anybody solve this severe problem?


On Fri, 5 Jul 2019 at 1:23 am, Mo Fateh mo.fateh|*|yahoo.com
<owner-chemistry[]ccl.net> wrote:

Sent to CCL by: "Mo  Fateh" [mo.fateh() yahoo.com]
Dear CCL users

I got the following error during NBO calculations of some organic
molecules.

<<Input file>>
# pm7  nosymm geom=allcheck pop=nbo guess=read IOp(3/59=5)
----------------------------------------------------------

<<The error>>
Unable to label the NBOs properly: 149 unstarred orbitals
                                    77 occupied orbitals
Error
Error termination via Lnk1e in C:\G16W\l607.exe at Thu Jul 04 23:17:13
2019.
Job cpu time:      0 days  0 hours  0 minutes  7.0 seconds.
Elapsed time:      0 days  0 hours  0 minutes  6.1 seconds.
File lengths (MBytes):  RWF=    20 Int=      0 D2E=      0 Chk=    94
Scr=      1

----------------------------------------------------------
Can anybody solve this problem?

With thanks.
Mo



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