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Memory Allocation problems in Gaussian09 for organic molecules

  1. Aug 12, 2013 #1
    Memory Allocation and Basis Sets problems and in Gaussian09

    I am starting off with Gaussian09 and GaussView software packages. When I did simulations for single molecules it was fine.

    But for crystal structures, I am giving the necessary values of a,b,c,β etc for a simple monoclinic structure like NaCl (my aim is to study more complicated organic molecules). I want to simulated for vibrational frequencies.

    After all the necessary inputs, when I am submitting my job, I am getting a "Severe Error Message 2070" and its giving the amount of memory required to complete the step. I am changing the valus but the same error comes up and the job is getting terminated.

    Also for the basis set, I have given the option of DFT B3LYP 631G (d) but the the output file is saying "Use standard Basis Set 631G (d) <6D 10F>. I dont know where to give the <6D 10F> from. So any advise on this will be helpful as well.

    I would be grateful if anyone can just help me to point out where I am making the mistake.

    Thanks a lot in advance.

    Shaumik
     
    Last edited: Aug 12, 2013
  2. jcsd
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