From owner-chemistry@ccl.net Sat Jan 24 03:46:01 2015
From: "Partha Sengupta anapspsmo_-_gmail.com" <owner-chemistry],[server.ccl.net>
To: CCL
Subject: CCL: mo
Message-Id: <-50958-150124022447-17401-vSKLrbY1dKzaxDnqS0+bNQ],[server.ccl.net>
X-Original-From: Partha Sengupta <anapspsmo.],[.gmail.com>
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Date: Sat, 24 Jan 2015 12:54:40 +0530
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Sent to CCL by: Partha Sengupta [anapspsmo=-=gmail.com]
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 I found the shape of molecular orbital in pop=regular calculation through
edit=mo command. In this way I found by observing the MO diagram as that
HOMO, HOMO- 1 are pi type, lumo, lumo+1 are pi* type and Lumo+4 as Rydberg
orbital. But I cannot get any data by which I sanguine that the orbitals
are really pi, pi* and Rydberg type. Help is needed.
I also done pop=(nbo,regular) gfoldprint, for the same system but get no
information.
How can I got data regarding the HOMO, LUMO and Rydberg orbital.

-- 
Dr. Partha Sarathi Sengupta
Associate Professor
Vivekananda Mahavidyalaya, Burdwan

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<div dir=3D"ltr">=C2=A0I found the shape of molecular orbital in pop=3Dregu=
lar calculation=20
through edit=3Dmo command. In this way I found by observing the MO diagram
 as that HOMO, HOMO- 1 are pi type, lumo, lumo+1 are pi* type and Lumo+4
 as Rydberg orbital. But I cannot get any data by which I sanguine that=20
the orbitals are really pi, pi*  and Rydberg type. Help is needed.<br>
I also done pop=3D(nbo,regular)  gfoldprint, for the same system but get no=
 information.<br>
How can I got data regarding the HOMO, LUMO and Rydberg orbital.<br clear=
=3D"all"><br>-- <br><div class=3D"gmail_signature">Dr. Partha Sarathi Sengu=
pta<br>Associate Professor<br>Vivekananda Mahavidyalaya, Burdwan</div>
</div>

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