Subject: calculation using Gaussian 94

From: tj su <[email-masked]>
Date: Mon, 9 Jul 2001 13:05:29 +0100 (BST)

Dear CCLers,

We had difficulties on calculation of the bond orders
of a molecule using the Gaussian 94 package.
Hopefully, someone can help us to solve this problem.

Thanks a lot in advance.

The input and output are as follows:

iuput:

------------------------------------------------------------
 #n b3lyp/6-311g*   scf=tight density=current aim=bo
scfcon=5

------------------------------------------------------------

output:

-------------------------------------------------------------------------------

   3 attractors -   2 bond point(s) +   0 ring
point(s) -   0 cage 
point(s) = 1

 WARNING: RMS ERROR HAS INCREASED
 WARNING: RMS ERROR HAS INCREASED
 NEWTON STEP FAILED FOR SURFACE SHEET   2
 Error termination via Lnk1e in
/usr/local/package1/g98/l609.exe.

-------------------------------------------------------------------------------

May May Lin

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