Recommendation for running Gaussian calculation

ESP fitted charges and molecule geometry are read from Gaussian output file. In order to obtain proper charges we recommend to run following Gaussian 94 calculation:
#hf/6-31G*/scrf=tomasi/pop=(mk,dipole)/density=current/iop(1/11=200)

comment (calculates both gas-phase and PCM charges)

charge multiplicity
atom coordinates
....
....

80. 400

If you are using Gaussian 98, set up the calculation like this:
#hf/6-31G*/pop=(mk,dipole)

comment (calculates gas-phase charges)

charge multiplicity
atom coordinates
....
....

--link1--
#hf/6-31G*/scrf=pcm/pop=(mk,dipole)/geom=allcheck

comment (calculates PCM charges)