Multi-Step Jobs

Multiple Gaussian jobs may be combined within a single input file. The input for each successive job is separated from that of the preceding job step by a line of the form:


Here is an example input file containing two job steps:

# HF/6-31G(d) Freq
Frequencies at STP
Molecule specification
# HF/6-31G(d) Geom=Check Guess=Read Freq=(ReadFC,ReadIsotopes)
Frequencies at 300 K
charge and spin

300.0  2.0
Isotope specifications

This input file computes vibrational frequencies and performs thermochemical analysis at two different temperatures and pressures: first at 298.15 K and 1 atmosphere, and then again at 300 K and 2 atmospheres. Note that a blank line must precede the --Link1-- line.


Last update: 23 April 2013