Subject: unichem/dgauss outputfile for TcO4-

From: Eric Breynaert <eric.breynaert -()- biw.kuleuven.be>
Date: Thu, 19 May 2005 17:42:57 +0200

Dear all,

Could someone with  access to unichem/dgauss provide me with the output 
files of an optimisation and frequency calculation of the pertechnetate 
anion. The following is an already optimised structure (gaussian03, 
ub3lyp/lanl2dz) in cartesian coordinates with charge -1, singlet

Tc            .000000     .000000     .000000
O             1.013637    1.013637    1.013637
O            -1.013637   -1.013637    1.013637
O             1.013637   -1.013637   -1.013637
O            -1.013637    1.013637   -1.013637

Thanks,

Eric

-- 
Eric Breynaert
Labo voor Colloodchemie
Kasteelpark Arenberg 23
B-3001 Leuven

Tel: +3216321457
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