From owner-chemistry@ccl.net Thu Jan 26 14:24:00 2012
From: "Vera Cathrine vera.cathrine###yahoo.com" <owner-chemistry]*[server.ccl.net>
To: CCL
Subject: CCL:G: CASSCF error in G03
Message-Id: <-46199-120126123411-11646-B0lBIVMRKZJkBFfJ6d+T+Q]*[server.ccl.net>
X-Original-From: "Vera  Cathrine" <vera.cathrine~~yahoo.com>
Date: Thu, 26 Jan 2012 12:34:09 -0500


Sent to CCL by: "Vera  Cathrine" [vera.cathrine*|*yahoo.com]
Dear CCL Users,

I am running a casscf calculation in G03 and my route section is as following. I just read orbitals from a previous CAS(14,13) calculation and altered two orbitals. The reason is that I  want to reduce the cas space from 1413 (full active space ) to reduced one 1212.

#p casscf(12,12)/3-21g  nosymm  geom=connectivity guess=(read,alter) pop=full 


But I got this kind of error in l401: 

(Enter /home/mdavari/g03/l401.exe)

 Initial guess read from the checkpoint file:

 input.chk

 Guess basis will be translated and rotated to current coordinates.

 Unexpected end-of-file while reading orbital switches.

 Error termination via Lnk1e in /home/vcathrine/g03/l401.exe at Thu Jan 26 17:48:28 2012.


Could anybody tell me why this kind of generic error occurs?

Thank you in advance,
Regrads,
Vera