NITROGEN

Download for use in GAUSSIAN and COLUMBUS packages.

The following basis set and potential were taken from:

L.F. Pacios and P.A. Christiansen, J. Chem. Phys.,
82, 2664 (1985).

Nitrogen Relativistic Effective Potential and Basis set including the 2s and 2p subshells in the valence space.

Basis Set


     Expn.      C

     6.261     -0.134660
s    0.6538     0.541099
     0.3152     0.229957
     0.1734     0.327880
          
     10.11      0.058660
p    2.269      0.269475
     0.6487     0.518146
     0.1904     0.387373

Potential


     n    Expn.     C (AREP)      C (SO)
     
     2    4.172600  -60.381084
s-p  2    4.742500   69.864206
     1    8.161000   -9.608747
     0    2.386000    3.273330
  
     2    7.479400   -0.670937    0.004270
p    2   25.340800   -4.872023   -0.004204
     1   73.088800   -1.456021    0.023559