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As explained
in the introduction, the input file should contain the following
minimum information.
- Geometry specification.
- Specification of one-electron basis set (although there is a
default).
- Specification of the method to compute the many-electron wavefunction.
Several calculations of different type can follow each other.
We will consider these three in turn.
All input can be given in upper or lower case and in free format.
Most input lines start with a keyword, which is followed by numbers or
other specifications. The different entries on each line should be
separated by commas (see next section for more explanation about this).
Subsections
molpro@molpro.net
Oct 10, 2007