I have used for CRISTAL for a couple of years, running on VMS,
and the version we had was awful. Instead we bought the NIST/CARB database
which is very userfriendly and run on a PC. Unfortunately the output
from this is in a special format, so it can, as far as I know,
not be imported to text processors. Rene Fosdal in our lab wrote
a small PC program, which converts this output to text, it is
not very fast and have a few bugs, but it works.
Gregers