CCL:G: G03 orbital contributions

Hi,
You can do a single pointhttps-:-//mail.google.com/mail/?shva=1#inbox/126767e7184ca9cc calculation with keywords
pop=full iop(3/33=1,3/36=-1)
the resultant output can ve analyzed with Gaussum. (gausssum.sourceforge.net)

Else you can use AOMIX (paid software)

Reg.
Dipankar

On Thu, Jan 28, 2010 at 11:05 AM, Kayla M Keller k.keller(~)sussex.ac.uk <owner-chemistry{}ccl.net> wrote:

Sent to CCL by: "Kayla  M Keller" [k.keller]_[sussex.ac.uk]
All,

Could someone please tell me how to get the percentage orbital contributions (i.e. orbital-by-orbital population analysis) from a Gaussian 03 output file (via software or otherwise). I understand that G09 can do it but we haven't upgraded yet.

Many thanks,
Kayla


--
Kayla M. Keller

Computational and Synthetic Inorganic Chemistry

Turner Group

Department of Chemistry
University of Sussex
Falmer
Brighton
BN1 9QJ
UK

k.keller^^sussex.ac.uk

"Computers are incredibly fast, accurate and stupid.  Human beings are
incredibly slow, inaccurate and brilliant.  Together they are powerful
beyond imagination."
                                       --Albert Einstein



-= This is automatically added to each message by the mailing script =-
E-mail to subscribers: CHEMISTRY{}ccl.net or use:
     http://www.ccl.net/cgi-bin/ccl/send_ccl_message

E-mail to administrators: CHEMISTRY-REQUEST{}ccl.net or use
     http://www.ccl.net/cgi-bin/ccl/send_ccl_message

Subscribe/Unsubscribe:
     http://www.ccl.net/chemistry/sub_unsub.shtml

Before posting, check wait time at: http://www.ccl.net

Job: http://www.ccl.net/jobs
Conferences: http://server.ccl.net/chemistry/announcements/conferences/

Search Messages: http://www.ccl.net/chemistry/searchccl/index.shtml
     http://www.ccl.net/spammers.txt

RTFI: http://www.ccl.net/chemistry/aboutccl/instructions/