Gaussian 03 Examples

These examples show a simple geometry optimization of water, and a frequency calculation using the geometry results.

water_opt.salk.job, job script for pople or salk.
water_opt.g03, input data file. Please note the the blank lines at the end of this file are necessary.
water_opt.log, the output log
A checkpoint file, water.chk, is also produced and necessary for the frequency calculation.

water_freq.salk.job, job script for pople or salk.
water_freq.g03, input data file. Please note the the blank lines at the end of this file are necessary.
water_freq.log, the output log