Subject: Origin of (my) wrong B3LYP frequencies

From: Luis Salvatella Ibáñez <[email-masked]>
Date: Tue, 03 Aug 1999 11:35:36 +0200

Dear CCLers,
 I have submitted a message some days ago describing some problems found
with
B3LYP frequencies. I thank everyone that replied my e-mail.
 The anomalous result corresponds to calculations carried out with
Gaussian 98
(version A.6), compiled on a HP C160 workstation having a PA8000
processor. Instead, a frequency computation achieved on this workstation
with the same G98 version, though compiled on a different computer, led
to right result.
 Therefore, the origin of the wrong B3LYP frequencies lies on a
compilation error.

 LUIS SALVATELLA