From owner-chemistry@ccl.net Tue Oct  5 14:02:00 2010
From: "Bilel Mansouri bilelmansouri80*o*yahoo.fr" <owner-chemistry * server.ccl.net>
To: CCL
Subject: CCL:G: help
Message-Id: <-42905-101005103318-5119-cGGj1xLM/NMeE68txuzLNg * server.ccl.net>
X-Original-From: Bilel Mansouri <bilelmansouri80_._yahoo.fr>
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Date: Tue, 5 Oct 2010 14:33:12 +0000 (GMT)
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Sent to CCL by: Bilel Mansouri [bilelmansouri80^^^yahoo.fr]
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> Hi --=0A=0A> I'm doing a (what I thought was simple) test job of=A0tow=A0=
water molecules whith =0A>supermolecule methode=A0using B3LYP=0A> and the 6=
-311G basis set.=0AI have the error message =0ANo NMR shielding tensors so =
no spin-rotation constants.=0A=A0Leave Link=A0 601 at Wed Oct 06 15:29:37 2=
010, MaxMem=3D=A0=A0=A0 6291456 cpu:=A0=A0=A0=A0=A0=A0 0.0=0A=A0(Enter C:\G=
03W\l9999.exe)=0A=0A=A0What some people mistake for the high cost=0A=A0of l=
iving is really the cost of living high.=0A=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=
=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 -- Doug Larson=0A=
=A0Error termination request processed by link 9999.=0A=A0Error termination=
 via Lnk1e in C:\G03W\l9999.exe at Wed Oct 06 15:29:37 2010.=0A=A0Job cpu t=
ime:=A0 0 days=A0 0 hours 13 minutes 33.0 seconds.=0A=A0File lengths (MByte=
s):=A0 RWF=3D=A0=A0=A0=A0 11 Int=3D=A0=A0=A0=A0=A0 0 D2E=3D=A0=A0=A0=A0=A0 =
0 Chk=3D=A0=A0=A0=A0=A0 8 =0AScr=3D=A0=A0=A0=A0=A0 1=0A=0A=A0Any insight wo=
uld be very helpful.=0A=0A=0A=A0Thanks!=0A=0A=0A=0A      
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<html><head><style type=3D"text/css"><!-- DIV {margin:0px;} --></style></he=
ad><body><div style=3D"font-family:times new roman, new york, times, serif;=
font-size:12pt"><DIV>&gt; Hi --<BR><BR>&gt; I'm doing a (what I thought was=
 simple) test job of&nbsp;tow&nbsp;water molecules whith supermolecule meth=
ode&nbsp;using B3LYP<BR>&gt; and the 6-311G basis set.<BR>I have the error =
message </DIV>=0A<DIV>No NMR shielding tensors so no spin-rotation constant=
s.<BR>&nbsp;Leave Link&nbsp; 601 at Wed Oct 06 15:29:37 2010, MaxMem=3D&nbs=
p;&nbsp;&nbsp; 6291456 cpu:&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.0<BR>&nbs=
p;(Enter C:\G03W\l9999.exe)</DIV>=0A<DIV><BR>&nbsp;What some people mistake=
 for the high cost<BR>&nbsp;of living is really the cost of living high.<BR=
>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&n=
bsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp=
;&nbsp;&nbsp;&nbsp;&nbsp; -- Doug Larson<BR>&nbsp;Error termination request=
 processed by link 9999.<BR>&nbsp;Error termination via Lnk1e in C:\G03W\l9=
999.exe at Wed Oct 06 15:29:37 2010.<BR>&nbsp;Job cpu time:&nbsp; 0 days&nb=
sp; 0 hours 13 minutes 33.0 seconds.<BR>&nbsp;File lengths (MBytes):&nbsp; =
RWF=3D&nbsp;&nbsp;&nbsp;&nbsp; 11 Int=3D&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0 D2=
E=3D&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0 Chk=3D&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 8=
 Scr=3D&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1<BR></DIV>=0A<DIV>&nbsp;Any insight =
would be very helpful.<BR><BR></DIV>=0A<DIV>&nbsp;Thanks!<BR></DIV></div><b=
r>=0A=0A=0A=0A=0A      </body></html>
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