Hi all,
I am working on the metal complex fromation in solutions, I would like to combine the DFT calculation with my experimental work.
I used B3LYP 6-31G to optimize strontium ion Sr2+, and the the relevant complexs with some acid, but all were failed with a code of #2070.
I have tried changing the CUP and RAM setting, but it's not work.
Have anybody had the similar trouble previously? Could you share the experience and solution with me?
Best regards,
XC