Dear Colleagues! Please could someone be so kind as to send me the contraction schemes for
Dunning's aug-cc-pVnZ bases for 1. H ( n = D T Q 5 6) 2. Br (n = D T Q 5) By this I mean, for example, for AV5Z H (this is the only one I have been able to access myself): (9s5p3d2f1g) / [5s4p3d2f1g] ((( ??? number of MOLPRO contracted functions is therefore 5 + 4*3 + 3*5 + 2*7 +1*9 = 55 ???? ))) Many thanks in advance for your helping me with this! Cheers, Patrick. -------------------------------------------------------------------- Dr Patrick Jemmer Senior Lecturer & Admissions Tutor (Computing) D110 Ellison Building School of Informatics Northumbria University NE1 8ST UK telephone: +44 (0)191-243-7679 facsimile: +44 (0)191-227-3362 [EMAIL PROTECTED] personal URL: http://www.alowvelkiconsulting.co.uk ---------------------------------------- Siihr u Frith sil; sy m'ture'sw fisol. Hy'l, Frith na'f eloyhimint, vappilimint'f flis : "Hlooza u Azla ye'' hririn sihn.Thanif sonni sy m'hreth." Ky' silla Frith fy m'las eloyhim flisla rui'. For God is good; he gives us light. And came they to Frith, calling unto him: "There is no life because the Lord is dead. We are doomed." For Frith it was that came down from the sky.
