How To Run Gaussian03

1. Log in to H205

2. Issue the following commands in the terminal:

tcsh
setenv g03root /packages/gaussian
source $g03root/g03/bsd/g03.login

3. Create your Gaussian file using emacs, vi, pico, etc. An example for the H2 molecule (saved as h2.com)

#p RHF/sto-3g sp

H2 molecule

0 1
H 0.0 0.0 0.0
H 1.1 0.0 0.0

4. To run the file:

g03 <h2.com >h2.out

5. To look at your output, open the h2.out file created in the previous step