From owner-chemistry*- at -*ccl.net Fri Sep 18 12:07:00 2015
From: "=?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal victor!A!fluor.quimica.uniovi.es" <owner-chemistry],[server.ccl.net>
To: CCL
Subject: CCL: How can I print forces
Message-Id: <-51752-150918120427-26719-KBLaIGVubptrV2dFdt7Cxg],[server.ccl.net>
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Date: Fri, 18 Sep 2015 17:46:49 +0200
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Sent to CCL by: =?iso-8859-1?Q?V=EDctor_Lua=F1a?= Cabal [victor]=[fluor.quimica.uniovi.es]
On Thu, Sep 17, 2015 at 11:40:04AM -0400, samala nagaprasad reddy snpreddy63###gmail.com wrote:
> Hello All,
>    I am calculating numerical frequencies in Molpro. When I check the
> outputs (out and log files), its not printing the forces. I hope there
> should be some options to print it. I have gone through the manual and
> didn't find. I will be thankful to them if some one helps in this regard.

Samala,

Maybe you could try to be more creative uding google: 'molpro print force
constants' gives you something to try.
<http://www.molpro.net/info/2010.1/doc/manual/node596.html>º

Good luck,
          Víctor Luaña
--
     .  .    "In science a person can be convinced by a good argument.
    / `' \   That is almost impossible in politics or religion"
   /(o)(o)\  (Adapted from Carl Sagan)
  /`. \/ .'\  "Lo mediocre es peor que lo bueno, pero también es peor
 /   '`'`   \ que lo malo, porque la mediocridad no es un grado, es una
 |  \'`'`/  | actitud" -- Jorge Wasenberg, 2015
 |  |'`'`|  | (Mediocre is worse than good, but it is also worse than
  \/`'`'`'\/  bad, because mediocrity is not a grade, it is an attitude)
===(((==)))==================================+=========================
! Dr.Víctor Luaña, in silico chemist & prof. !"I have two kinds of problems,
! Departamento de Química Física y Analítica ! the urgent and the important.
! Universidad de Oviedo, 33006-Oviedo, Spain ! The urgent are not important,
! e-mail:   victor++fluor.quimica.uniovi.es   ! and the important are never
! phone: +34-985-103491  fax: +34-985-103125 ! urgent.
+--------------------------------------------+        (Dwight D. Eisenhower)
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