Siddheshwar Chopra
sidhusai@gmail.com
Regards,
On Sun May 5 '13 7:54am, Farid wrote
------------------------------------
>Is this a trick question? Don't you just change the multiplicity? Maybe under $contrl use mult=2? Or am I not understanding your question?
>On Thu May 2 '13 3:13pm, Siddheshwar Chopra wrote
>-------------------------------------------------
>>Dear Sir,
>>I faintly understand what ROHF is... And I get error whenever I run RHF calculation for an ODD no. of electron configuration.. I guess I can add one Hydrogen somewhere and do the calculations with RHF.. But WHAT if I need to study the structure with ODD no. of Hydrogens (or electrons).. Please throw some light on this. Even if I add ICHARG, then also my purpose is defeated. .Am I correct?
>>Regards,