Alex Granovsky
gran@classic.chem.msu.su
sorry for some delay on my side.
>I have no experience in XMCQDPT2. Please tell me what for this
> method means a large basis? What is the smallest of the large
> can you recommend?
>May be 6-311+G(2d,p)?
I would rather recommend aug-cc-pVTZ
All the best,
Alex
![[ Previous ]](/ceilidh-icons/ceil_prv.gif){kind=icon}
![[ Next ]](/ceilidh-icons/ceil_nxt.gif){kind=icon}
![[ Index ]](/ceilidh-icons/ceil_ind.gif){kind=icon}
Mon Oct 8 '12 9:09pm![[ Reply ]](/ceilidh-icons/ceil_rep.gif){kind=icon}
![[ Edit ]](/ceilidh-icons/ceil_edt.gif){kind=icon}
![[ Delete ]](/ceilidh-icons/ceil_del.gif){kind=icon}
This message read 772 times