I am working my way through MCBP (not MCBP.py) tutorial. I have gotten to the point of
"Gaussian based Side Chain Model Optimization and Frequency Calculation". At this point from my understanding I must select the method for force constant calculation..i.e. Z-matrix or the Seminario method...However, I don't understand how I am to select.?? Is this a method I select in Gaussian (I can't find it in G03)?
Thanks, Steve
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Received on Wed Jul 25 2018 - 10:30:03 PDT
