Subject: NBO error

From: Faya Dubnikova <[email-masked]>
Date: Thu, 14 Feb 2002 15:30:27 +0200

Dear CCL members,

Does anyone has an explanation for this error message in gaussian98
log file. Can you point me to a possible solution?

The error message is:

******************************Gaussian NBO Version
3.1******************************
             N A T U R A L   A T O M I C   O R B I T A L   A N D
          N A T U R A L   B O N D   O R B I T A L   A N A L Y S I S
 ******************************Gaussian NBO Version
3.1******************************
       /RESON  / : Allow strongly delocalized NBO set

 Analyzing the SCF density

 Job title: cr0001+IN

 Storage needed:    334506 in NPA,    443080 in NBO (   6291456
available)

 An eigenvalue of the weighted PRE-NAO overlap matrix of    0.00000 has
been
 found, which is lower than the allowed threshold of    0.00000.  This
is
 probably caused by either an error in the data given to the analysis
program
 or by numerical problems caused by near linear dependencies among the
basis
 functions.

Thanks in advance,

Faina Dubnikova

e-mail: [email-masked]