CCL:G: O2 X Sigma_g triplet to B Sigma_u triplet transition



 Sent to CCL by: "Terry  Stephenson" [imslrecipes]![yahoo.com]
 Hi Computational Chemists!
 I am totally new to Gaussian03 and would like to do some simple calculations for
 molecular oxygen.  I would like to calculate two potential surfaces (actually
 curves since the internuclear distance is the only variable) of O2, i.e., the
 ground state X Sigma_g triplet and one of the excited states, i.e., B Sigma_g
 triplet, both states are "-" in parity.  Moreover, I would like to
 calculate the transition dipole between the two states as a function of the
 internuclear distance.  I read part of the Gaussian docs but thought some of you
 must have done this, so I thought to ask for your help.  Thank you in advance!
 --Terry