From owner-chemistry;at;ccl.net Wed Apr  5 11:35:01 2017
From: "Vidya Kaipanchery vidyak.clt-.-gmail.com" <owner-chemistry/./server.ccl.net>
To: CCL
Subject: CCL: Difficulty extracting pdb information form output file
Message-Id: <-52719-170405085622-7302-D/wDNcmQzw0otTpO9dOALw/./server.ccl.net>
X-Original-From: "Vidya  Kaipanchery" <vidyak.clt|,|gmail.com>
Date: Wed, 5 Apr 2017 08:56:21 -0400


Sent to CCL by: "Vidya  Kaipanchery" [vidyak.clt**gmail.com]
I have done a ONIOM calculation in G09 and got my optimized structure. It 
does not contain any of the pdb (protein data base) information which I 
require for further calculation(frequency analysis). I tried extracting it 
form chk file using "newzmat" command and it failed. I also tried to 
convert the chk to fchk and it didnt work. Can you please help me how to 
extract my optimized geometry with pdb information from my chk file or even 
log file?

Kind regards,
Vidya