SULFUR

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).

Sulfur Relativistic Effective Potential and Basis set including the 3s and 3p subshells in the valence space.

Basis Set


     Expn.       C

     17.03      -0.002335
s     1.777     -0.297599
      0.4184     0.701442
      0.1449     0.500535
      
     11.84      -0.007413
p     3.599     -0.021956
      0.5082     0.537670
      0.1492     0.571773

Potential


     n    Expn.     C (AREP)     C (SO)

     2    2.790400  -59.912218
     2    3.268200  182.122366
s-d  2    3.996100 -115.523128
     1    6.414500    5.373976
     0    4.270500    2.956192
  
     2    2.236300  -48.719188   -0.614628
     2    2.601900  140.849325    1.848454
p-d  2    3.148400 -100.904171   -1.440593
     1    5.235900    4.199833    0.058650
     0    3.343400    4.771437   -0.007192
 
     2    2.691600   -1.090965   -0.046915
d    2    7.701000   -9.881822   -0.027725
     2   22.828300  -26.413399    0.026621
     1   70.118000   -6.839463    0.092872