CCL:G: Gaussian calculation

From: "Emi Psachoulia" <efthymia.psachoulia%%merton.ox.ac.uk>
Subject: CCL:G: Gaussian calculation
Date: Wed, 8 Nov 2006 08:56:26 -0500

 Sent to CCL by: "Emi  Psachoulia"
 [efthymia.psachoulia!A!merton.ox.ac.uk]
 Hi,
 I tried to use Gaussian03 to do geometrical optimization of a phosphate anion
 and then to calculate its charges.
 I used for the geometry calculation HF/6-31G(d) Opt NoSymm and HF/6-31G(d,p) Opt
 NoSymm and then for the charge HF/6-31G* pop=mk iop(6/33=2) and HF/6-31G**
 pop=mk iop(6/33=2) respectively.
 I had an output for the geometry calculations, but not for the charges.
 I would like to ask you what the multiplicity is for system given that electrons
 delocalised.
 Also, what basis set shall I use?
 Thank you,
 Emi Psachoulia
 efthymia.psachoulia/a\merton.ox.ac.uk