From owner-chemistry $#at#$ ccl.net Mon Jul 8 17:15:01 2019 From: "mo.fateh*yahoo.com mo.fateh*yahoo.com" To: CCL Subject: CCL: NBO + l607.exe error Message-Id: <-53782-190708171226-741-FwfVaEHAOLx4sq2Vp9W+KQ#server.ccl.net> X-Original-From: "mo.fateh^^^yahoo.com" Content-Type: multipart/alternative; boundary="----=_Part_6765849_226420465.1562620333186" Date: Mon, 8 Jul 2019 21:12:13 +0000 (UTC) MIME-Version: 1.0 Sent to CCL by: "mo.fateh/./yahoo.com" [mo.fateh/./yahoo.com] ------=_Part_6765849_226420465.1562620333186 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: quoted-printable Could anybody solve this severe problem? Sent from Yahoo Mail on Android=20 =20 On Fri, 5 Jul 2019 at 1:23 am, Mo Fateh mo.fateh|*|yahoo.com wrote: =20 Sent to CCL by: "Mo=C2=A0 Fateh" [mo.fateh() yahoo.com] Dear CCL users I got the following error during NBO calculations of some organic=20 molecules. <> # pm7=C2=A0 nosymm geom=3Dallcheck pop=3Dnbo guess=3Dread IOp(3/59=3D5) ---------------------------------------------------------- <> Unable to label the NBOs properly: 149 unstarred orbitals =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2= =A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 =C2=A0 77 occupied orbitals Error Error termination via Lnk1e in C:\G16W\l607.exe at Thu Jul 04 23:17:13=20 2019. Job cpu time:=C2=A0 =C2=A0 =C2=A0 0 days=C2=A0 0 hours=C2=A0 0 minutes=C2= =A0 7.0 seconds. Elapsed time:=C2=A0 =C2=A0 =C2=A0 0 days=C2=A0 0 hours=C2=A0 0 minutes=C2= =A0 6.1 seconds. File lengths (MBytes):=C2=A0 RWF=3D=C2=A0 =C2=A0 20 Int=3D=C2=A0 =C2=A0 = =C2=A0 0 D2E=3D=C2=A0 =C2=A0 =C2=A0 0 Chk=3D=C2=A0 =C2=A0 94=20 Scr=3D=C2=A0 =C2=A0 =C2=A0 1 ---------------------------------------------------------- Can anybody solve this problem? With thanks. Mo -=3D This is automatically added to each message by the mailing script =3D-=C2=A0 =C2=A0 =C2=A0=C2=A0 =C2=A0 =C2=A0Subscribe/Unsubscribe:=20 =C2=A0 =C2=A0 =C2=A0Job: http://www.ccl.net/jobs=20=C2=A0 =C2=A0 =C2=A0=20 ------=_Part_6765849_226420465.1562620333186 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable 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> w= rote:

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=3Dallcheck pop=3Dnbo guess=3Dread IOp(3/59=3D5)
----------------------------------------------------------
=

<<The error>>=
Unable to label the NBOs properly: 149 unstarred= orbitals
          &nbs= p;                     &n= bsp;   77 occupied orbitals
Error
Error termination via Lnk1e in C:\G16W\l607.exe at Thu J= ul 04 23:17:13
2019.
= Job cpu time:      0 days  0 hours  0 minutes&nbs= p; 7.0 seconds.
Elapsed time:     = ; 0 days  0 hours  0 minutes  6.1 seconds.
File lengths (MBytes):  RWF=3D    20 Int=3D = ;     0 D2E=3D      0 Chk=3D    94
=
Scr=3D      1

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

With thanks.
Mo


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