#  DGauss A2 DFT Coulomb Fitting  EMSL  Basis Set Exchange Library  3/19/10 12:43 PM
# Elements                             References
# --------                             ----------
# H - Xe: N. Godbout, D. R. Salahub, J. Andzelm, and E. Wimmer, Can. J. Chem. 70,
#         560 (1992). DGauss basis sets provided courtesy of Cray Research, Inc.
#   


basis "H_DGauss A2 DFT Coulomb Fitting" CARTESIAN
H    S
      0.45000000E+02         1.0000000        
H    S
      0.75000000E+01         1.0000000        
H    S
      0.30000000E+00         1.0000000        
H    SP
      1.50000000E+00         1.0000000              1.0000000        
H    D
      1.50000000E+00         1.0000000        
end
basis "He_DGauss A2 DFT Coulomb Fitting" CARTESIAN
He    S
      0.54000000E+02         1.0000000        
He    S
      0.90000000E+01         1.0000000        
He    S
      0.36000000E+00         1.0000000        
He    SP
      0.18000000E+01         1.0000000              1.0000000        
He    D
      0.18000000E+01         1.0000000        
end
basis "Li_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Li    S
    256.00000000             1.0000000        
Li    S
     51.20000000             1.0000000        
Li    S
     12.80000000             1.0000000        
Li    S
      3.20000000             1.0000000        
Li    S
      0.80000000             1.0000000        
Li    SP
      0.05000000             1.0000000              1.00000000       
Li    SP
      0.20000000             1.0000000              1.00000000       
Li    D
      0.20000000             1.0000000        
end
basis "Be_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Be    S
      0.51200000E+03         1.0000000        
Be    S
      0.10300000E+03         1.0000000        
Be    S
      0.25600000E+02         1.0000000        
Be    S
      0.64000000E+01         1.0000000        
Be    S
      0.16000000E+01         1.0000000        
Be    SP
      0.11000000E+00         1.00000000             1.00000000       
Be    SP
      0.40000000E+00         1.00000000             1.00000000       
Be    D
      0.40000000E+00         1.0000000        
end
basis "B_DGauss A2 DFT Coulomb Fitting" CARTESIAN
B    S
    992.00000000             1.0000000        
B    S
    220.00000000             1.0000000        
B    S
     63.04000000             1.0000000        
B    S
     18.00000000             1.0000000        
B    SP
      6.62000000             1.0000000              1.00000000       
B    SP
      1.47000000             1.0000000              1.00000000       
B    SP
      0.42000000             1.0000000              1.00000000       
B    SP
      0.12000000             1.0000000              1.00000000       
B    D
      6.62000000             1.0000000        
B    D
      1.47000000             1.0000000        
B    D
      0.42000000             1.0000000        
B    D
      0.12000000             1.0000000        
end
basis "C_DGauss A2 DFT Coulomb Fitting" CARTESIAN
C    S
   1500.00000000             1.0000000        
C    S
    330.00000000             1.0000000        
C    S
     94.32000000             1.0000000        
C    S
     27.00000000             1.0000000        
C    SP
      9.92000000             1.00000000             1.00000000       
C    SP
      2.20000000             1.00000000             1.00000000       
C    SP
      0.63000000             1.00000000             1.00000000       
C    SP
      0.18000000             1.00000000             1.00000000       
C    D
      9.92000000             1.0000000        
C    D
      2.20000000             1.0000000        
C    D
      0.63000000             1.0000000        
C    D
      0.18000000             1.0000000        
end
basis "N_DGauss A2 DFT Coulomb Fitting" CARTESIAN
N    S
   2066.00000000             1.0000000        
N    S
    459.00000000             1.0000000        
N    S
    131.00000000             1.0000000        
N    S
     37.50000000             1.0000000        
N    SP
     13.80000000             1.00000000             1.00000000       
N    SP
      3.06000000             1.00000000             1.00000000       
N    SP
      0.88000000             1.00000000             1.00000000       
N    SP
      0.25000000             1.00000000             1.00000000       
N    D
     13.80000000             1.0000000        
N    D
      3.06000000             1.0000000        
N    D
      0.88000000             1.0000000        
N    D
      0.25000000             1.0000000        
end
basis "O_DGauss A2 DFT Coulomb Fitting" CARTESIAN
O    S
   2566.00000000             1.0000000        
O    S
    570.00000000             1.0000000        
O    S
    163.00000000             1.0000000        
O    S
     46.50000000             1.0000000        
O    SP
     17.00000000             1.00000000             1.00000000       
O    SP
      3.80000000             1.00000000             1.00000000       
O    SP
      1.08000000             1.00000000             1.00000000       
O    SP
      0.31000000             1.00000000             1.00000000       
O    D
     17.00000000             1.0000000        
O    D
      3.80000000             1.0000000        
O    D
      1.08000000             1.0000000        
O    D
      0.31000000             1.0000000        
end
basis "F_DGauss A2 DFT Coulomb Fitting" CARTESIAN
F    S
   3100.00000000             1.0000000        
F    S
    690.00000000             1.0000000        
F    S
    197.00000000             1.0000000        
F    S
     56.30000000             1.0000000        
F    SP
     21.00000000             1.00000000             1.00000000       
F    SP
      4.60000000             1.00000000             1.00000000       
F    SP
      1.33000000             1.00000000             1.00000000       
F    SP
      0.38000000             1.00000000             1.00000000       
F    D
     21.00000000             1.0000000        
F    D
      4.60000000             1.0000000        
F    D
      1.33000000             1.0000000        
F    D
      0.38000000             1.0000000        
end
basis "Ne_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Ne    S
   4150.00000000             1.0000000        
Ne    S
    923.00000000             1.0000000        
Ne    S
    264.00000000             1.0000000        
Ne    S
     75.00000000             1.0000000        
Ne    SP
     27.50000000             1.00000000             1.00000000       
Ne    SP
      6.15000000             1.00000000             1.00000000       
Ne    SP
      1.75000000             1.00000000             1.00000000       
Ne    SP
      0.50000000             1.00000000             1.00000000       
Ne    D
     27.50000000             1.0000000        
Ne    D
      6.15000000             1.0000000        
Ne    D
      1.75000000             1.0000000        
Ne    D
      0.50000000             1.0000000        
end
basis "Na_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Na    S
      0.37000000E+04         1.0000000        
Na    S
      0.73700000E+03         1.0000000        
Na    S
      0.18400000E+03         1.0000000        
Na    S
      0.46000000E+02         1.0000000        
Na    S
      0.11500000E+02         1.0000000        
Na    SP
      0.04700000E+00         1.00000000             1.00000000       
Na    SP
      0.36000000E+01         1.00000000             1.00000000       
Na    SP
      0.72000000E+00         1.00000000             1.00000000       
Na    SP
      0.18000000E+00         1.00000000             1.00000000       
Na    D
      0.36000000E+01         1.0000000        
Na    D
      0.72000000E+00         1.0000000        
Na    D
      0.18000000E+00         1.0000000        
end
basis "Mg_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Mg    S
      0.61400000E+04         1.0000000        
Mg    S
      0.12200000E+04         1.0000000        
Mg    S
      0.31000000E+03         1.0000000        
Mg    S
      0.77000000E+02         1.0000000        
Mg    S
      0.19000000E+02         1.0000000        
Mg    SP
      0.08000000E+00         1.00000000             1.00000000       
Mg    SP
      0.60000000E+01         1.00000000             1.00000000       
Mg    SP
      0.12000000E+01         1.00000000             1.00000000       
Mg    SP
      0.30000000E+00         1.00000000             1.00000000       
Mg    D
      0.60000000E+01         1.0000000        
Mg    D
      0.12000000E+01         1.0000000        
Mg    D
      0.30000000E+00         1.0000000        
end
basis "Al_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Al    S
      0.68610000E+04         1.0000000        
Al    S
      0.13720000E+04         1.0000000        
Al    S
      0.34300000E+03         1.0000000        
Al    S
      0.85800000E+02         1.0000000        
Al    S
      0.21400000E+02         1.0000000        
Al    SP
      0.67200000E+01         1.00000000             1.00000000       
Al    SP
      0.13400000E+01         1.00000000             1.00000000       
Al    SP
      0.34000000E+00         1.00000000             1.00000000       
Al    SP
      0.08400000E+00         1.00000000             1.00000000       
Al    D
      0.67200000E+01         1.0000000        
Al    D
      0.13400000E+01         1.0000000        
Al    D
      0.34000000E+00         1.0000000        
Al    D
      0.08400000E+00         1.0000000        
end
basis "Si_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Si    S
      0.98300000E+04         1.0000000        
Si    S
      0.19660000E+04         1.0000000        
Si    S
      0.49200000E+03         1.0000000        
Si    S
      0.12300000E+03         1.0000000        
Si    S
      0.30720000E+02         1.0000000        
Si    SP
      0.96000000E+01         1.00000000             1.00000000       
Si    SP
      0.19200000E+01         1.00000000             1.00000000       
Si    SP
      0.48000000E+00         1.00000000             1.00000000       
Si    SP
      0.12000000E+00         1.00000000             1.00000000       
Si    D
      0.96000000E+01         1.0000000        
Si    D
      0.19200000E+01         1.0000000        
Si    D
      0.48000000E+00         1.0000000        
Si    D
      0.12000000E+00         1.0000000        
end
basis "P_DGauss A2 DFT Coulomb Fitting" CARTESIAN
P    S
      0.13107000E+05         1.0000000        
P    S
      0.26210000E+04         1.0000000        
P    S
      0.65500000E+03         1.0000000        
P    S
      0.16400000E+03         1.0000000        
P    S
      0.41000000E+02         1.0000000        
P    SP
      0.13000000E+02         1.00000000             1.00000000       
P    SP
      0.26000000E+01         1.00000000             1.00000000       
P    SP
      0.64000000E+00         1.00000000             1.00000000       
P    SP
      0.16000000E+00         1.00000000             1.00000000       
P    D
      0.13000000E+02         1.0000000        
P    D
      0.26000000E+01         1.0000000        
P    D
      0.64000000E+00         1.0000000        
P    D
      0.16000000E+00         1.0000000        
end
basis "S_DGauss A2 DFT Coulomb Fitting" CARTESIAN
S    S
      0.16384000E+05         1.0000000        
S    S
      0.32770000E+04         1.0000000        
S    S
      0.81900000E+03         1.0000000        
S    S
      0.20500000E+03         1.0000000        
S    S
      0.51000000E+02         1.0000000        
S    SP
      0.16000000E+02         1.00000000             1.00000000       
S    SP
      0.32000000E+01         1.00000000             1.00000000       
S    SP
      0.80000000E+00         1.00000000             1.00000000       
S    SP
      0.20000000E+00         1.00000000             1.00000000       
S    D
      0.16000000E+02         1.0000000        
S    D
      0.32000000E+01         1.0000000        
S    D
      0.80000000E+00         1.0000000        
S    D
      0.20000000E+00         1.0000000        
end
basis "Cl_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Cl    S
      0.20480000E+05         1.0000000        
Cl    S
      0.40960000E+04         1.0000000        
Cl    S
      0.10240000E+04         1.0000000        
Cl    S
      0.25600000E+03         1.0000000        
Cl    S
      0.64000000E+02         1.0000000        
Cl    SP
      0.20000000E+02         1.00000000             1.00000000       
Cl    SP
      0.40000000E+01         1.00000000             1.00000000       
Cl    SP
      0.10000000E+01         1.00000000             1.00000000       
Cl    SP
      0.25000000E+00         1.00000000             1.00000000       
Cl    D
      0.20000000E+02         1.0000000        
Cl    D
      0.40000000E+01         1.0000000        
Cl    D
      0.10000000E+01         1.0000000        
Cl    D
      0.25000000E+00         1.0000000        
end
basis "Ar_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Ar    S
      0.24576000E+05         1.0000000        
Ar    S
      0.49150000E+04         1.0000000        
Ar    S
      0.12290000E+04         1.0000000        
Ar    S
      0.30700000E+03         1.0000000        
Ar    S
      0.77000000E+02         1.0000000        
Ar    SP
      0.24000000E+02         1.00000000             1.00000000       
Ar    SP
      0.48000000E+01         1.00000000             1.00000000       
Ar    SP
      0.12000000E+01         1.00000000             1.00000000       
Ar    SP
      0.30000000E+00         1.00000000             1.00000000       
Ar    D
      0.24000000E+02         1.0000000        
Ar    D
      0.48000000E+01         1.0000000        
Ar    D
      0.12000000E+01         1.0000000        
Ar    D
      0.30000000E+00         1.0000000        
end
basis "Sc_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Sc    S
      0.21000000E+05         1.0000000        
Sc    S
      0.42000000E+04         1.0000000        
Sc    S
      0.10500000E+04         1.0000000        
Sc    S
      0.26240000E+03         1.0000000        
Sc    S
      0.65600000E+02         1.0000000        
Sc    SP
      0.20500000E+02         1.00000000             1.00000000       
Sc    SP
      0.41000000E+01         1.00000000             1.00000000       
Sc    SP
      0.10300000E+01         1.00000000             1.00000000       
Sc    SP
      0.25600000E+00         1.00000000             1.00000000       
Sc    SP
      0.06400000E+00         1.00000000             1.00000000       
Sc    D
      0.20500000E+02         1.0000000        
Sc    D
      0.41000000E+01         1.0000000        
Sc    D
      0.10300000E+01         1.0000000        
Sc    D
      0.25600000E+00         1.0000000        
Sc    D
      0.06400000E+00         1.0000000        
end
basis "Ti_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Ti    S
      0.28000000E+05         1.0000000        
Ti    S
      0.56000000E+04         1.0000000        
Ti    S
      0.14000000E+04         1.0000000        
Ti    S
      0.34800000E+03         1.0000000        
Ti    S
      0.08700000E+03         1.0000000        
Ti    SP
      0.27200000E+02         1.00000000             1.00000000       
Ti    SP
      0.54400000E+01         1.00000000             1.00000000       
Ti    SP
      0.13600000E+01         1.00000000             1.00000000       
Ti    SP
      0.34000000E+00         1.00000000             1.00000000       
Ti    SP
      0.08400000E+00         1.00000000             1.00000000       
Ti    D
      0.27200000E+02         1.0000000        
Ti    D
      0.54400000E+01         1.0000000        
Ti    D
      0.13600000E+01         1.0000000        
Ti    D
      0.34000000E+00         1.0000000        
Ti    D
      0.08400000E+00         1.0000000        
end
basis "V_DGauss A2 DFT Coulomb Fitting" CARTESIAN
V    S
      0.33100000E+05         1.0000000        
V    S
      0.66200000E+04         1.0000000        
V    S
      0.16500000E+04         1.0000000        
V    S
      0.41400000E+03         1.0000000        
V    S
      0.10300000E+03         1.0000000        
V    SP
      0.32000000E+02         1.00000000             1.00000000       
V    SP
      0.64600000E+01         1.00000000             1.00000000       
V    SP
      0.16100000E+01         1.00000000             1.00000000       
V    SP
      0.40400000E+00         1.00000000             1.00000000       
V    SP
      0.10100000E+00         1.00000000             1.00000000       
V    D
      0.32000000E+02         1.0000000        
V    D
      0.64600000E+01         1.0000000        
V    D
      0.16100000E+01         1.0000000        
V    D
      0.40400000E+00         1.0000000        
V    D
      0.10100000E+00         1.0000000        
end
basis "Cr_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Cr    S
      0.37000000E+05         1.0000000        
Cr    S
      0.75300000E+04         1.0000000        
Cr    S
      0.18800000E+04         1.0000000        
Cr    S
      0.47100000E+03         1.0000000        
Cr    S
      0.11700000E+03         1.0000000        
Cr    SP
      0.36800000E+02         1.00000000             1.00000000       
Cr    SP
      0.73600000E+01         1.00000000             1.00000000       
Cr    SP
      0.18400000E+01         1.00000000             1.00000000       
Cr    SP
      0.46000000E+00         1.00000000             1.00000000       
Cr    SP
      0.11500000E+00         1.00000000             1.00000000       
Cr    D
      0.36800000E+02         1.0000000        
Cr    D
      0.73600000E+01         1.0000000        
Cr    D
      0.18400000E+01         1.0000000        
Cr    D
      0.46000000E+00         1.0000000        
Cr    D
      0.11500000E+00         1.0000000        
end
basis "Mn_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Mn    S
      0.41000000E+05         1.0000000        
Mn    S
      0.08200000E+05         1.0000000        
Mn    S
      0.20500000E+04         1.0000000        
Mn    S
      0.51000000E+03         1.0000000        
Mn    S
      0.12800000E+03         1.0000000        
Mn    SP
      0.40000000E+02         1.00000000             1.00000000       
Mn    SP
      0.08000000E+02         1.00000000             1.00000000       
Mn    SP
      0.20000000E+01         1.00000000             1.00000000       
Mn    SP
      0.50000000E+00         1.00000000             1.00000000       
Mn    SP
      0.12500000E+00         1.00000000             1.00000000       
Mn    D
      0.40000000E+02         1.0000000        
Mn    D
      0.08000000E+02         1.0000000        
Mn    D
      0.20000000E+01         1.0000000        
Mn    D
      0.50000000E+00         1.0000000        
Mn    D
      0.12500000E+00         1.0000000        
end
basis "Fe_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Fe    S
      0.44000000E+05         1.0000000        
Fe    S
      0.08800000E+05         1.0000000        
Fe    S
      0.22000000E+04         1.0000000        
Fe    S
      0.55000000E+03         1.0000000        
Fe    S
      0.13700000E+03         1.0000000        
Fe    SP
      0.43200000E+02         1.00000000             1.00000000       
Fe    SP
      0.08600000E+02         1.00000000             1.00000000       
Fe    SP
      0.22000000E+01         1.00000000             1.00000000       
Fe    SP
      0.54000000E+00         1.00000000             1.00000000       
Fe    SP
      0.13500000E+00         1.00000000             1.00000000       
Fe    D
      0.43200000E+02         1.0000000        
Fe    D
      0.08600000E+02         1.0000000        
Fe    D
      0.22000000E+01         1.0000000        
Fe    D
      0.54000000E+00         1.0000000        
Fe    D
      0.13500000E+00         1.0000000        
end
basis "Co_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Co    S
      0.47000000E+05         1.0000000        
Co    S
      0.09400000E+05         1.0000000        
Co    S
      0.23500000E+04         1.0000000        
Co    S
      0.59000000E+03         1.0000000        
Co    S
      0.14700000E+03         1.0000000        
Co    SP
      0.46000000E+02         1.00000000             1.00000000       
Co    SP
      0.09200000E+02         1.00000000             1.00000000       
Co    SP
      0.23000000E+01         1.00000000             1.00000000       
Co    SP
      0.58000000E+00         1.00000000             1.00000000       
Co    SP
      0.14400000E+00         1.00000000             1.00000000       
Co    D
      0.46000000E+02         1.0000000        
Co    D
      0.09200000E+02         1.0000000        
Co    D
      0.23000000E+01         1.0000000        
Co    D
      0.58000000E+00         1.0000000        
Co    D
      0.14400000E+00         1.0000000        
end
basis "Ni_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Ni    S
      0.50000000E+05         1.0000000        
Ni    S
      0.09930000E+05         1.0000000        
Ni    S
      0.25000000E+04         1.0000000        
Ni    S
      0.62000000E+03         1.0000000        
Ni    S
      0.15500000E+03         1.0000000        
Ni    SP
      0.48000000E+02         1.00000000             1.00000000       
Ni    SP
      0.09700000E+02         1.00000000             1.00000000       
Ni    SP
      0.24000000E+01         1.00000000             1.00000000       
Ni    SP
      0.60000000E+00         1.00000000             1.00000000       
Ni    SP
      0.15200000E+00         1.00000000             1.00000000       
Ni    D
      0.48000000E+02         1.0000000        
Ni    D
      0.09700000E+02         1.0000000        
Ni    D
      0.24000000E+01         1.0000000        
Ni    D
      0.60000000E+00         1.0000000        
Ni    D
      0.15200000E+00         1.0000000        
end
basis "Cu_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Cu    S
      0.53000000E+05         1.0000000        
Cu    S
      0.10500000E+05         1.0000000        
Cu    S
      0.26400000E+04         1.0000000        
Cu    S
      0.66000000E+03         1.0000000        
Cu    S
      0.16500000E+03         1.0000000        
Cu    SP
      0.51000000E+02         1.00000000             1.00000000       
Cu    SP
      0.10300000E+02         1.00000000             1.00000000       
Cu    SP
      0.25700000E+01         1.00000000             1.00000000       
Cu    SP
      0.64000000E+00         1.00000000             1.00000000       
Cu    SP
      0.16000000E+00         1.00000000             1.00000000       
Cu    D
      0.51000000E+02         1.0000000        
Cu    D
      0.10300000E+02         1.0000000        
Cu    D
      0.25700000E+01         1.0000000        
Cu    D
      0.64000000E+00         1.0000000        
Cu    D
      0.16000000E+00         1.0000000        
end
basis "Zn_DGauss A2 DFT Coulomb Fitting" CARTESIAN
Zn    S
      0.75500000E+05         1.0000000        
Zn    S
      0.15100000E+05         1.0000000        
Zn    S
      0.37760000E+04         1.0000000        
Zn    S
      0.94400000E+03         1.0000000        
Zn    S
      0.23600000E+03         1.0000000        
Zn    SP
      0.74000000E+02         1.00000000             1.00000000       
Zn    SP
      0.14800000E+02         1.00000000             1.00000000       
Zn    SP
      0.37000000E+01         1.00000000             1.00000000       
Zn    SP
      0.92000000E+00         1.00000000             1.00000000       
Zn    SP
      0.23000000E+00         1.00000000             1.00000000       
Zn    D
      0.74000000E+02         1.0000000        
Zn    D
      0.14800000E+02         1.0000000        
Zn    D
      0.37000000E+01         1.0000000        
Zn    D
      0.92000000E+00         1.0000000        
Zn    D
      0.23000000E+00         1.0000000        
end
