error in cc-pV(6+d)Z basis set for Sulfur
Clicked A Few Times
12:52:28 PM PDT - Mon, Mar 18th 2013
Bert,

looks like there is still an error in the cc-pV(6+d)Z and aug-cc-pV(6+d)Z basis sets, but just for Sulfur. This was fixed quite a while ago for the cc-pV6Z and aug-cc-pV6Z sets but the +d sets got missed. Only the f exponents need to be changed and they should be identical to what is now in the cc-pV6Z and aug-cc-pV6Z sets.

thanks,

-Kirk

Forum Vet
1:39:54 PM PDT - Mon, Mar 18th 2013
This has been corrected. Thanks Kirk.


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