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Alexey Nikitin
agilemolecule@gmail.com

Sorry to bother you, but I did not manage to control XMCQDPT2.
Could you be so kind to give an input example for ground state?


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>Dear Alexey,

>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