From owner-chemistry@ccl.net Thu Dec 12 10:50:00 2013
From: "Jim Kress ccl_nospam .. kressworks.com" <owner-chemistry{=}server.ccl.net>
To: CCL
Subject: CCL: J constant in NMR
Message-Id: <-49440-131212075749-19202-o2iJABfsNRDBbDLSS8DDqQ{=}server.ccl.net>
X-Original-From: "Jim Kress" <ccl_nospam%x%kressworks.com>
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Date: Thu, 12 Dec 2013 07:57:29 -0500
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Sent to CCL by: "Jim Kress" [ccl_nospam]|[kressworks.com]
Use ORCA.  It was designed for this.

http://www.cec.mpg.de/forum

Jim

-----Original Message-----
> From: owner-chemistry+ccl_nospam==kressworks.com a ccl.net
[mailto:owner-chemistry+ccl_nospam==kressworks.com a ccl.net] On Behalf Of
mahnaz gh mahnaz271163###yahoo.com
Sent: Thursday, December 12, 2013 4:51 AM
To: Kress, Jim 
Subject: CCL: J constant in NMR


Sent to CCL by: "mahnaz  gh" [mahnaz271163 _ yahoo.com] Hi there I wanna see
the spin-spin coupling in the NMR of CH3-CH2Cl. The route section which I
selected is as follow:"# nmr=(giao,spinspin,mixed) b3lyp/6-311++g(d,p)
geom=connectivity". How can I see the spin-spin coupling and splitting in
the output file?
Regardshttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp://www.ccl.net/chemistry/sub_unsub.shtmlhttp://www.ccl.net/spammers.txt