Gaussian 03 Online Manual
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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: --Link1-- Here is an example input file containing two job steps: %Chk=freq # HF/6-31G(d) Freq Frequencies at STP Molecule specification --Link1-- %Chk=freq %NoSave # 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. |