Posted by ABID on October 29, 2014 at 12:06:45:
In Reply to: RASSCF posted by ABID on September 07, 2014 at 12:51:28:
: 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
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