It can be as brief or as longas you like, and may span several lines.It is multiple-line input, so it needs to be finished by a blank line.As a more verbose alternative to the dull job title I haveput here, the following would be fine, too: The Job Title.This is free for you to choose.The Command Section.This is the most important part of the input: It tells Gaussian what to do !Although it is only one line long here, it is Multiple-line Inputand needs to be followed by one blank line.As with other Gaussian input, this section is case-insensitive.The first line of the Command Section needs to start with the '#' sign.Here, the program is being instructed to perform a geometry optimisation (opt)of the specified molecule, at the Hartree-Fock level of theory,and using the 3-21G standard basis set on all atoms, which it will readfrom its basis set library.This is the way Gaussian designatesgeneral commands concerning the way in which the program should run,what it does with files, etc.For most jobs, you will not need any Link 0 command.The line shown here, which starts with the % sign, tells Gaussianto save to your current directory the temporary 'Checkfile', and to callit you do not do this, the checkfile is kept in a temporary, 'work', directory,and deleted when the job ends.Link 0 commands are Single-line Input. The sections indicated in this file are the most common input groups.In the order in which they should appear in Gaussian, these are:
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