Re: CCL:software for IR plots

["William F. Polik" <polik : at : hope.edu>]

 At 12:58 PM 1/16/02, Yixuan Wang <wangyi : at : engr.sc.edu> wrote:
>  Based on the QC frequency analysis results, I am thinking to make plots
> of IR intensity against frequency, like experimental curves rather
>  than
>  scatted lines of Guassview. Dose anybody know such kind of programs?
>  Thanks.
>  
 WebMO produces IR plots from the output of Gaussian, MOPAC, or GAMESS.
You can either run a "Vibrational Frequencies" job within
 WebMO, or you can
 import pre-existing outfile files that contain vibrational frequency
 information.
 To test the WebMO import facility, visit the WebMO Working Demo at
      http://pople.chem.hope.edu/~webmo/cgi-bin/login.cgi
Login with Username = "guest" and Password =
 "guest" (no quotes).  At the
 Job Manager screen , click "Import Job".  Fill in a Job Name,
 select the
 job type (Gaussian, MOPAC, GAMESS), and browse to the Local Output
 File.  Clicking the "Import Job" button will then
 automagically upload your
 output file to the server, process it, and extract all useful
 information,
 including an IR spectrum.
 Will Polik
 polik : at : hope.edu