Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Re^2: Free-radical optimization in Mp2
gensz
genoffrie@gmail.com
And, can I do the energy calculation in MP2/6-311++G** and then the Vibrational Analysis at ROHF/6-31G**? then the Electronic energy from MP2/6-311++G** + ZPE + Translational + vibrational + rotational energies from HF/6-31G**? is it okay to add them up even I calculated the vibrational analysis into different Basis Sets and LEvel of Theories?..
Thanks
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Fri Mar 2 '12 5:22am
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 766 times