Ritika Sharma

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Questions related from Ritika Sharma

Can we use CBSextrapolate keyword with MP2/Aug-cc-PVTZ basis set in gaussian 03. If yes how?

I want to do single point calculation on MP2/Aug-ccPVTZ basis set and then extrapolate it to CBS using gaussian 03. Can anyone guide me in this regard. Please provide me the input .gjf and output...

10 October 2015 7,356 2 View

How can I use the basis set aug-cc-pVTZ and performing an extrapolation to the complete bais set? Can anyone provide the input for Gaussian 03 ?

please provide .gjf file if possible in my e-mail [email protected].

10 October 2015 2,323 9 View