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gaussian_idft_pair.xml @debian/1.5-1 

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

  <charge>0</charge>
  <spin>1</spin>  
  <!--options># pop=minimal int=zindos nosymm  IOp(3/33=1,3/36=-1) punch=mo guess=cards scf=(maxcycle=1,conver=1) IOp(5/13=1)</options-->
  <options># pop=minimal b3lyp/6-311g scf=tight nosymm  IOp(3/33=1,3/36=-1) punch=mo guess=cards scf=(maxcycle=1,conver=1) IOp(5/13=1)</options>
  <memory>1Gb</memory>
  <threads>1</threads>
  
  <cleanup></cleanup>
</package>