<package>
  <name>gaussian</name>
  <executable>g09</executable>
  <checkpoint></checkpoint>
  <scratch></scratch>

  <charge>0</charge>
  <spin>1</spin>  
  <options># pop=minimal b3lyp/6-311g scf=tight punch=mo nosymm test</options>
  <memory>1Gb</memory>
  <threads>2</threads>
  
  <cleanup></cleanup>
</package>