nwchem-data 6.6+r27746-2 / usr / share / nwchem / libraries / lanl2-10s8p7d3f2g

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#  Lanl2-[10s8p7d3f2g]  EMSL  Basis Set Exchange Library  3/15/13 10:18 AM
# Elements                             References
# --------                             ----------
# Rh: Otello M. Roscioni, Edmond P. F. Lee, John M. Dyke, Development and testing of a compact basis set for use in effective core potential calculations on rhodium complexes, Journal of Computational Chemistry 33(26):2049-57 (2012).
# 



basis "Rh_Lanl2-[10s8p7d3f2g]" SPHERICAL
Rh    S
    327.6800000             -0.0009800              0.0002400        
    163.8400000              0.0055500             -0.0013300        
     81.9200000             -0.0198300              0.0049000        
     40.9600000              0.0544400             -0.0136000        
     20.4800000             -0.1562300              0.0412300        
     10.2400000              0.3511800             -0.0965400        
      5.1200000             -0.6265400              0.2007300        
      2.5600000             -0.1291100              0.0036100        
      1.2800000              0.8471200             -0.3011100        
      0.6400000              0.4147500             -0.2436200        
      0.3200000              0.1326400             -0.0908900        
      0.1600000             -0.0401200              0.2190200        
      0.0800000              0.0286500              0.4852900        
      0.0400000             -0.0172900              0.4274800        
      0.0200000              0.0076500              0.0730000        
      0.0100000             -0.0019700              0.0013100        
Rh    S
      6.1035156              1.0000000        
Rh    S
      2.4414063              1.0000000        
Rh    S
      0.9765625              1.0000000        
Rh    S
      0.3906250              1.0000000        
Rh    S
      0.1562500              1.0000000        
Rh    S
      0.0625000              1.0000000        
Rh    S
      0.0250000              1.0000000        
Rh    S
      0.0100000              1.0000000        
Rh    P
    163.8400000              0.0004700        
     81.9200000             -0.0032400        
     40.9600000              0.0101200        
     20.4800000             -0.0449000        
     10.2400000              0.0931000        
      5.1200000             -0.2412500        
      2.5600000              0.2057500        
      1.2800000              0.5400800        
      0.6400000              0.3505500        
      0.3200000              0.1010900        
      0.1600000              0.0039400        
      0.0800000              0.0035400        
      0.0400000             -0.0006700        
Rh    P
      5.0000000              1.0000000        
Rh    P
      2.0000000              1.0000000        
Rh    P
      0.8000000              1.0000000        
Rh    P
      0.3200000              1.0000000        
Rh    P
      0.1280000              1.0000000        
Rh    P
      0.0512000              1.0000000        
Rh    P
      0.0204500              1.0000000        
Rh    D
     37.4813370             -0.0003900        
     20.8229650             -0.0032000        
     11.5683140              0.0020200        
      6.4268410             -0.0045700        
      3.5704672              0.0444700        
      1.9835929              0.2169900        
      1.1019961              0.2789200        
      0.6122200              0.2864500        
      0.3401222              0.2112500        
      0.1889568              0.1385000        
      0.1049760              0.0551200        
      0.0583200              0.0153100        
      0.0324000              0.0003700        
Rh    D
      2.7648000              1.0000000        
Rh    D
      1.1520000              1.0000000        
Rh    D
      0.4800000              1.0000000        
Rh    D
      0.2000000              1.0000000        
Rh    D
      0.0833333              1.0000000        
Rh    D
      0.0347222              1.0000000        
Rh    F
      1.2150000              1.0000000        
Rh    F
      0.2700000              1.0000000        
Rh    F
      0.0600000              1.0000000        
Rh    G
      0.5000000              1.0000000        
Rh    G
      0.0800000              1.0000000        
end
ASSOCIATED_ECP "lanl2dz_ecp"
# Elements                             References
# --------                             ----------
# Na - Hg: P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985).
#          P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 284 (1985).
#          P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 299 (1985).
#

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