Re: SCF


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Posted by Steven Vancoillie on January 09, 2015 at 13:03:56:

In Reply to: SCF posted by ABID on October 29, 2014 at 12:06:45:

: : Dear All
: : I am trying to optimized the Geometry of acetonitrile Dimer with water but it gives a memory error like: 'MA failed to allocate a memory block.'
: Is this due to basis functions which I am using ??? I am using CC-PVTZ
: Please explain???
Please add a full input/output of the problematic job.




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if B is 1s22s22p1, what is Li?

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