CHLORINE

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).

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

Basis Set


     Expn.      C

     21.51     -0.001075
      2.145    -0.312937
s     0.5119    0.712432
      0.1799    0.496742
      
     14.55     -0.008368
p     4.179    -0.020126
      0.6291    0.549503
      0.1830    0.561444

Potential


     n    Expn.     C (AREP)     C (SO)

     2    3.147400  -63.021884
     2    3.682600  187.004072
s-d  2    4.488800 -114.419223
     1    7.181100    7.646371
     0    4.770900    2.999977
  
     2    2.705100  -52.917938   -0.665679
     2    3.202800  159.084807    2.077915
p-d  2    3.985700 -118.437609   -1.709316
     1    6.570600    5.191998    0.076492
     0    4.284800    4.670786   -0.008152
  
     2    3.359400   -1.336886   -0.037438
d    2    9.731400  -11.743701   -0.000989
     2   29.250800  -30.295557    0.026766
     1   90.545600   -6.983280    0.132438