From owner-chemistry@ccl.net Fri Nov 14 09:07:01 2014
From: "Sathish Kumar sathishk238-x-gmail.com" <owner-chemistry-#-server.ccl.net>
To: CCL
Subject: CCL:G: Regarding ZINDO calculations in Gaussian 09
Message-Id: <-50744-141114085808-937-nqkkuvMI1L6HN5S86lO+2Q-#-server.ccl.net>
X-Original-From: Sathish Kumar <sathishk238**gmail.com>
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Date: Fri, 14 Nov 2014 05:58:02 -0800
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Sent to CCL by: Sathish Kumar [sathishk238.---.gmail.com]
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Subject: Regarding ZINDO calculations in Gaussian 09


i am ruuning ZINDO calculation for pi-pi stacked complex, while running i
am getting following error. please suggest me how to solve this.

One-electron integrals computed using PRISM.
 Generate ZINDO/S integrals.
 Missing ZINDO/S parameters for atomic number  5.
 Error termination via Lnk1e in
/lustre/applications/Gaussian/Gaussian9/g09/linda-exe/l302.exel at Fri Nov
14 01:25:01 2014.
 Job cpu time:  0 days  0 hours  0 minutes  9.3 seconds.
 File lengths (MBytes):  RWF=     12 Int=      0 D2E=      0 Chk=      1
Scr=      1
failed to open execfile



regards
M.SathishKumar



-- 
regards
M.SathishKumar

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<div dir=3D"ltr"><br><div class=3D"gmail_quote"><br>Subject: Regarding ZIND=
O calculations in Gaussian 09<br><br><br><div dir=3D"ltr">i am ruuning ZIND=
O calculation for pi-pi stacked complex, while running i am getting followi=
ng error. please suggest me how to solve this.<div><br></div><div><div>One-=
electron integrals computed using PRISM.</div><div>=A0Generate ZINDO/S inte=
grals.</div><div>=A0Missing ZINDO/S parameters for atomic number =A05.</div=
><div>=A0Error termination via Lnk1e in /lustre/applications/Gaussian/Gauss=
ian9/g09/linda-exe/l302.exel at Fri Nov 14 01:25:01 2014.</div><div>=A0Job =
cpu time: =A00 days =A00 hours =A00 minutes =A09.3 seconds.</div><div>=A0Fi=
le lengths (MBytes): =A0RWF=3D =A0 =A0 12 Int=3D =A0 =A0 =A00 D2E=3D =A0 =
=A0 =A00 Chk=3D =A0 =A0 =A01 Scr=3D =A0 =A0 =A01</div><div>failed to open e=
xecfile</div></div><div><br></div><div><br></div><div><br></div><div><div><=
div dir=3D"ltr"><div style=3D"margin-left:40px">regards</div><div style=3D"=
margin-left:40px">M.SathishKumar=A0</div></div></div>
</div></div>
</div><br><br clear=3D"all"><div><br></div>-- <br><div class=3D"gmail_signa=
ture"><div dir=3D"ltr"><div style=3D"margin-left:40px">regards</div><div st=
yle=3D"margin-left:40px">M.SathishKumar=A0</div></div></div>
</div>

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