From chemistry-request.,at,.server.ccl.net Wed Mar 22 15:59:56 2000 Received: from yakko.cimav.edu.mx (root $#at#$ [207.248.161.2]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id PAA20481 for ; Wed, 22 Mar 2000 15:59:54 -0500 Received: from glossman ([207.248.161.148]) by yakko.cimav.edu.mx (8.9.3/8.9.3) with SMTP id OAA27044 for ; Wed, 22 Mar 2000 14:06:01 -0700 Message-ID: <019f01bf9449$2753f3c0$94a1f8cf -8 at 8- cimav.edu.mx> From: "Dr. Daniel Glossman" To: "Computational Chemistry List" Subject: scaling factor Date: Wed, 22 Mar 2000 13:54:05 -0800 Dear netters: Can somebody point me to a reference for the vibrational scaling factor for a B3LYP/6-31G(d,p) frequency calculation? I already know the value (0.9613) for a B3LYP/6-31G(d) from the paper of Wong CPL 256, 391 (1996). Thanks in advance. Best regards Dr. Daniel Glossman Mitnik *************************************************************************= Dr. Daniel Glossman Mitnik Centro de Investigaci=F3n en Materiales Avanzados (CIMAV) Departamento de Pol=EDmeros = Phone: (52) 1 4391151 Miguel de Cervantes 120 = FAX: (52) 1 4391112 Complejo Industrial Chihuahua = E-mail: glossman %-% at %-% mail.cimav.edu.mx Chihuahua, Chih. 31109 = glossman -x- at -x- hotmail.com Mexico *************************************************************************=