CCL: NBO + l607.exe error
- From: "Eric V. Patterson"
<eric.patterson*_*stonybrook.edu>
- Subject: CCL: NBO + l607.exe error
- Date: Mon, 8 Jul 2019 19:27:22 -0400
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?
>
> Sent from Yahoo Mail on Android
>
> 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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