From chemistry-request %-% at %-% server.ccl.net Thu Sep 9 09:39:49 1999 Received: from hotmail.com (f171.hotmail.com [207.82.251.57]) by server.ccl.net (8.8.7/8.8.7) with SMTP id JAA20163 for ; Thu, 9 Sep 1999 09:39:48 -0400 Received: (qmail 18124 invoked by uid 0); 9 Sep 1999 13:33:30 -0000 Message-ID: <19990909133330.18123.qmail $#at#$ hotmail.com> Received: from 203.197.132.143 by www.hotmail.com with HTTP; Thu, 09 Sep 1999 06:33:26 PDT X-Originating-IP: [203.197.132.143] From: "dakshinamoorthy sivanesan" To: CHEMISTRY(+ at +)ccl.net Subject: request regarding use of MP2/6-31g* MASSAGE SCRF=dipole calculation in G94w pack Date: Thu, 09 Sep 1999 06:33:26 PDT Mime-Version: 1.0 Content-Type: text/plain; format=flowed Dear ccl members While I am doing calculation on solvent effect in cc stacked dimer for counterpoise correction , but I am getting the following problem in the output: --------------------------------- #T mp2/6-31g* MASSAGE scrf=dipole --------------------------------- ----- Title ----- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 Internal co-ordinates for C-C staked dimer ……………………………………………………..follows H -3.58395 1.50943 3.4 H -2.67444 3.0042 3.4 WANTED A FLOATING POINT NUMBER AS INPUT. FOUND AN INTEGER AS INPUT. 1 Nuc 0.0 ? Error termination via Lnk1e in Link 116. Job cpu time: 0 days 0 hours 0 minutes 1.0 seconds. File lengths (MBytes): RWF= 1 Int= 0 D2E= 0 Chk= 2 Scr= 1 ** may I ask you , kindly please let me know the causes of this problem and how it can be sorted out. I need it immediately. Thanks in advance. Yours D.Sivanesan It is very convenient for me to access the reply from you to the following e-mail ID: peacok15 \\at// hotmail.com Address: D.Sivanesan Senior Research Fellow Chemical laboratory Central Leather Research Institute Adyar Madras 600 020. INDIA E-mail: peacok15 $#at#$ hotmail.com Sivaclri %-% at %-% hotmail.com ______________________________________________________ Get Your Private, Free Email at http://www.hotmail.com