BORON

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).

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

Basis Set


     Expn.       C

     2.926      -0.132009  
s    0.2964      0.516147
     0.1306      0.386860
     0.06673     0.191322
    
     4.864       0.046923
p    1.019       0.237846
     0.2879      0.517200
     0.08601     0.419768

Potential


     n    Expn.     C (AREP)      C (SO)
     
     2    2.515500  -37.551118
s-p  2    2.680800   51.025499
     1    3.956200   -2.384434
     0    7.410900    2.979742
  
     2    3.561300   -0.434946    0.000857
p    2   11.783200   -3.207452   -0.001480
     1   33.378200   -1.417788    0.007552