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Blaise
Blaise
09:41
Whoops didnt mean to enter yet. Well nevermind, think i got it.
What kind of topics do we discuss here? Anything at all to do with calculation errors? :)
 
1 hour later…
eimrek
eimrek
10:56
Hi @Blaise This is my very first message here, but I am soon planning to ask advice on my Gaussian convergence :)
Martin prompted me to join here based on my question here: chemistry.stackexchange.com/questions/103882/…
 
6 hours later…
Blaise
Blaise
17:24
@eimrek what molecule are you dealing with? I did not see it in your question.
 
5 hours later…
eimrek
eimrek
22:20
user image
this one, it's formally anti-aromatic (monomer consists of 6-5-6-5-6 membered rings)
I have couple of gaussian calcs running, hopefully they will converge...

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