ALERT TO GAUSSIAN-03 USERS!

An error in the Gaussian-03 program (DFT XC coding) has been found to seriously affect $DEL energetic analysis using density functionals. Gaussian-03 users should therefore include

IOp(5/48=10000)

on the route card whenever the POP=NBODEL option is used. The problem applies to both G03/NBO3 or upgraded G03/NBO5G versions of G03, but not to G98 and earlier Gaussian versions.

Thanks to Peter Limacher (ETH-Zurich) for first identifying this problem, and to Mike Frisch (Gaussian, Inc.) for the IOp solution. The problem will be repaired in the next minor revision of G03.