$ Basis = 3-21++G*

$ Elements supported
$ H He Li Be B C N O F Ne Na Mg Al Si P S Cl
$
$ REFERENCE
$ Elements                             References
$ --------                             ----------
$  H - Ne: J.S. Binkley, J.A. Pople, W.J. Hehre, J. Am. Chem. Soc 102 939 (1980)
$ Na - Ar: M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre,
$          J. Am. Chem. Soc. 104, 2797 (1983).
$  K - Ca: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 7, 359 (1986).
$ Ga - Kr: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 7, 359 (1986).
$ Sc - Zn: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 8, 861 (1987).
$  Y - Cd: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 8, 880 (1987).
$ Cs     : A 3-21G quality set derived from the Huzinage MIDI basis sets.
$          E.D. Glendening and D. Feller, J. Phys. Chem. 99, 3060 (1995)
$
$ ## DIFFUSE FUNCTIONS
$ Elements                             Reference
$ --------                             ----------
$ H, Li-Cl: T. Clark, J. Chandrasekhar, P.V.R. Schleyer, J. Comp. Chem. 4, 294
$          (1983).
$
$ ## POLARIZATION FUNCTIONS
$ Elements                             Reference 
$ --------                             ---------- 
$ Na - Ar:  W.J. Pietro, M.M. Francl, W.J. Hehre, D.J. DeFrees, J.A. Pople and 
$           J.S. Binkley, J. Am. Chem. Soc. 104, 5039 (1982) 
$
a 1
$ HYDROGEN     (3s) -> [2s]                                      
$ HYDROGEN     (Diffuse s)                                       
$ S-TYPE FUNCTIONS
    4    3    0
      5.4471780  0.15628500  0.00000000  0.00000000
      0.8245470  0.90469100  0.00000000  0.00000000
      0.1831920  0.00000000  1.00000000  0.00000000
      0.0360000  0.00000000  0.00000000  1.00000000
a 2
$ HELIUM       (3s) -> [2s]                                      
$ S-TYPE FUNCTIONS
    3    2    0
     13.6267000  0.17523000  0.00000000
      1.9993500  0.89348300  0.00000000
      0.3829930  0.00000000  1.00000000
a 3
$ LITHIUM      (6s,3p) -> [3s,2p]                                
$ LITHIUM      (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
    7    4    0
     36.8382000  0.06966860  0.00000000  0.00000000  0.00000000
      5.4817200  0.38134600  0.00000000  0.00000000  0.00000000
      1.1132700  0.68170200  0.00000000  0.00000000  0.00000000
      0.5402050  0.00000000 -0.26312700  0.00000000  0.00000000
      0.1022550  0.00000000  1.14339000  0.00000000  0.00000000
      0.0285650  0.00000000  0.00000000  1.00000000  0.00000000
      0.0074000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    4    3    0
      0.5402050  0.16154600  0.00000000  0.00000000
      0.1022550  0.91566300  0.00000000  0.00000000
      0.0285650  0.00000000  1.00000000  0.00000000
      0.0074000  0.00000000  0.00000000  1.00000000
a 4
$ BERYLLIUM    (6s,3p) -> [3s,2p]                                
$ BERYLLIUM    (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
    7    4    0
     71.8876000  0.06442630  0.00000000  0.00000000  0.00000000
     10.7289000  0.36609600  0.00000000  0.00000000  0.00000000
      2.2220500  0.69593400  0.00000000  0.00000000  0.00000000
      1.2954800  0.00000000 -0.42106400  0.00000000  0.00000000
      0.2688810  0.00000000  1.22407000  0.00000000  0.00000000
      0.0773500  0.00000000  0.00000000  1.00000000  0.00000000
      0.0207000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    4    3    0
      1.2954800  0.20513200  0.00000000  0.00000000
      0.2688810  0.88252800  0.00000000  0.00000000
      0.0773500  0.00000000  1.00000000  0.00000000
      0.0207000  0.00000000  0.00000000  1.00000000
a 5
$ BORON        (6s,3p) -> [3s,2p]                                
$ BORON        (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
    7    4    0
    116.4340000  0.06296050  0.00000000  0.00000000  0.00000000
     17.4314000  0.36330400  0.00000000  0.00000000  0.00000000
      3.6801600  0.69725500  0.00000000  0.00000000  0.00000000
      2.2818700  0.00000000 -0.36866200  0.00000000  0.00000000
      0.4652480  0.00000000  1.19944000  0.00000000  0.00000000
      0.1243280  0.00000000  0.00000000  1.00000000  0.00000000
      0.0315000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    4    3    0
      2.2818700  0.23115200  0.00000000  0.00000000
      0.4652480  0.86676400  0.00000000  0.00000000
      0.1243280  0.00000000  1.00000000  0.00000000
      0.0315000  0.00000000  0.00000000  1.00000000

a 6
$ CARBON       (6s,3p) -> [3s,2p]                                
$ CARBON       (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
    7    4    0
    172.2560000  0.06176690  0.00000000  0.00000000  0.00000000
     25.9109000  0.35879400  0.00000000  0.00000000  0.00000000
      5.5333500  0.70071300  0.00000000  0.00000000  0.00000000
      3.6649800  0.00000000 -0.39589700  0.00000000  0.00000000
      0.7705450  0.00000000  1.21584000  0.00000000  0.00000000
      0.1958570  0.00000000  0.00000000  1.00000000  0.00000000
      0.0438000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    4    3    0
      3.6649800  0.23646000  0.00000000  0.00000000
      0.7705450  0.86061900  0.00000000  0.00000000
      0.1958570  0.00000000  1.00000000  0.00000000
      0.0438000  0.00000000  0.00000000  1.00000000
a 7
$ NITROGEN     (6s,3p) -> [3s,2p]                                
$ NITROGEN     (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
    7    4    0
    242.7660000  0.05986570  0.00000000  0.00000000  0.00000000
     36.4851000  0.35295500  0.00000000  0.00000000  0.00000000
      7.8144900  0.70651300  0.00000000  0.00000000  0.00000000
      5.4252200  0.00000000 -0.41330100  0.00000000  0.00000000
      1.1491500  0.00000000  1.22442000  0.00000000  0.00000000
      0.2832050  0.00000000  0.00000000  1.00000000  0.00000000
      0.0639000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    4    3    0
      5.4252200  0.23797200  0.00000000  0.00000000
      1.1491500  0.85895300  0.00000000  0.00000000
      0.2832050  0.00000000  1.00000000  0.00000000
      0.0639000  0.00000000  0.00000000  1.00000000
a 8
$ OXYGEN       (6s,3p) -> [3s,2p]                                
$ OXYGEN       (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
    7    4    0
    322.0370000  0.05923940  0.00000000  0.00000000  0.00000000
     48.4308000  0.35150000  0.00000000  0.00000000  0.00000000
     10.4206000  0.70765800  0.00000000  0.00000000  0.00000000
      7.4029400  0.00000000 -0.40445300  0.00000000  0.00000000
      1.5762000  0.00000000  1.22156000  0.00000000  0.00000000
      0.3736840  0.00000000  0.00000000  1.00000000  0.00000000
      0.0845000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    4    3    0
      7.4029400  0.24458600  0.00000000  0.00000000
      1.5762000  0.85395500  0.00000000  0.00000000
      0.3736840  0.00000000  1.00000000  0.00000000
      0.0845000  0.00000000  0.00000000  1.00000000
a 9
$ FLUORINE     (6s,3p) -> [3s,2p]                                
$ FLUORINE     (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
    7    4    0
    413.8010000  0.05854830  0.00000000  0.00000000  0.00000000
     62.2446000  0.34930800  0.00000000  0.00000000  0.00000000
     13.4340000  0.70963200  0.00000000  0.00000000  0.00000000
      9.7775900  0.00000000 -0.40732700  0.00000000  0.00000000
      2.0861700  0.00000000  1.22314000  0.00000000  0.00000000
      0.4823830  0.00000000  0.00000000  1.00000000  0.00000000
      0.1076000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    4    3    0
      9.7775900  0.24668000  0.00000000  0.00000000
      2.0861700  0.85232100  0.00000000  0.00000000
      0.4823830  0.00000000  1.00000000  0.00000000
      0.1076000  0.00000000  0.00000000  1.00000000
a 10
$ NEON         (6s,3p) -> [3s,2p]                                
$ NEON         (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
    7    4    0
    515.7240000  0.05814300  0.00000000  0.00000000  0.00000000
     77.6538000  0.34795100  0.00000000  0.00000000  0.00000000
     16.8136000  0.71071400  0.00000000  0.00000000  0.00000000
     12.4830000  0.00000000 -0.40992200  0.00000000  0.00000000
      2.6645100  0.00000000  1.22431000  0.00000000  0.00000000
      0.6062500  0.00000000  0.00000000  1.00000000  0.00000000
      0.1300000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    4    3    0
     12.4830000  0.24746000  0.00000000  0.00000000
      2.6645100  0.85174300  0.00000000  0.00000000
      0.6062500  0.00000000  1.00000000  0.00000000
      0.1300000  0.00000000  0.00000000  1.00000000
a 11
$ SODIUM       (9s,6p) -> [4s,3p]                                
$ SODIUM       (Diffuse sp)                                      
$ SODIUM       (1d)                                              
$ S-TYPE FUNCTIONS
   10    5    0
    547.6130000  0.06749110  0.00000000  0.00000000  0.00000000  0.00000000
     82.0678000  0.39350500  0.00000000  0.00000000  0.00000000  0.00000000
     17.6917000  0.66560500  0.00000000  0.00000000  0.00000000  0.00000000
     17.5407000  0.00000000 -0.11193700  0.00000000  0.00000000  0.00000000
      3.7939800  0.00000000  0.25465400  0.00000000  0.00000000  0.00000000
      0.9064410  0.00000000  0.84441700  0.00000000  0.00000000  0.00000000
      0.5018240  0.00000000  0.00000000 -0.21966000  0.00000000  0.00000000
      0.0609458  0.00000000  0.00000000  1.08912000  0.00000000  0.00000000
      0.0244349  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0076000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    7    4    0
     17.5407000  0.12823300  0.00000000  0.00000000  0.00000000
      3.7939800  0.47153300  0.00000000  0.00000000  0.00000000
      0.9064410  0.60427300  0.00000000  0.00000000  0.00000000
      0.5018240  0.00000000  0.00906650  0.00000000  0.00000000
      0.0609458  0.00000000  0.99720200  0.00000000  0.00000000
      0.0244349  0.00000000  0.00000000  1.00000000  0.00000000
      0.0076000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.1750000  1.00000000
a 12
$ MAGNESIUM    (9s,6p) -> [4s,3p]                                
$ MAGNESIUM    (Diffuse sp)                                      
$ MAGNESIUM    (1d)                                              
$ S-TYPE FUNCTIONS
   10    5    0
    652.8410000  0.06759820  0.00000000  0.00000000  0.00000000  0.00000000
     98.3805000  0.39177800  0.00000000  0.00000000  0.00000000  0.00000000
     21.2996000  0.66666100  0.00000000  0.00000000  0.00000000  0.00000000
     23.3727000  0.00000000 -0.11024600  0.00000000  0.00000000  0.00000000
      5.1995300  0.00000000  0.18411900  0.00000000  0.00000000  0.00000000
      1.3150800  0.00000000  0.89639900  0.00000000  0.00000000  0.00000000
      0.6113490  0.00000000  0.00000000 -0.36110100  0.00000000  0.00000000
      0.1418410  0.00000000  0.00000000  1.21505000  0.00000000  0.00000000
      0.0464011  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0146000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    7    4    0
     23.3727000  0.12101400  0.00000000  0.00000000  0.00000000
      5.1995300  0.46281000  0.00000000  0.00000000  0.00000000
      1.3150800  0.60690700  0.00000000  0.00000000  0.00000000
      0.6113490  0.00000000  0.02426330  0.00000000  0.00000000
      0.1418410  0.00000000  0.98667300  0.00000000  0.00000000
      0.0464011  0.00000000  0.00000000  1.00000000  0.00000000
      0.0146000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.1750000  1.00000000
a 13
$ ALUMINUM     (9s,6p) -> [4s,3p]                                
$ ALUMINUM     (Diffuse sp)                                      
$ ALUMINUM     (1d)                                              
$ S-TYPE FUNCTIONS
   10    5    0
    775.7370000  0.06683470  0.00000000  0.00000000  0.00000000  0.00000000
    116.9520000  0.38906100  0.00000000  0.00000000  0.00000000  0.00000000
     25.3326000  0.66946800  0.00000000  0.00000000  0.00000000  0.00000000
     29.4796000  0.00000000 -0.10790200  0.00000000  0.00000000  0.00000000
      6.6331400  0.00000000  0.14624500  0.00000000  0.00000000  0.00000000
      1.7267500  0.00000000  0.92373000  0.00000000  0.00000000  0.00000000
      0.9461600  0.00000000  0.00000000 -0.32032700  0.00000000  0.00000000
      0.2025060  0.00000000  0.00000000  1.18412000  0.00000000  0.00000000
      0.0639088  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0318000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    7    4    0
     29.4796000  0.11757400  0.00000000  0.00000000  0.00000000
      6.6331400  0.46117400  0.00000000  0.00000000  0.00000000
      1.7267500  0.60553500  0.00000000  0.00000000  0.00000000
      0.9461600  0.00000000  0.05193830  0.00000000  0.00000000
      0.2025060  0.00000000  0.97266000  0.00000000  0.00000000
      0.0639088  0.00000000  0.00000000  1.00000000  0.00000000
      0.0318000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.3250000  1.00000000
a 14
$ SILICON      (9s,6p) -> [4s,3p]                                
$ SILICON      (Diffuse sp)                                      
$ SILICON      (1d)                                              
$ S-TYPE FUNCTIONS
   10    5    0
    910.6550000  0.06608230  0.00000000  0.00000000  0.00000000  0.00000000
    137.3360000  0.38622900  0.00000000  0.00000000  0.00000000  0.00000000
     29.7601000  0.67238000  0.00000000  0.00000000  0.00000000  0.00000000
     36.6716000  0.00000000 -0.10451100  0.00000000  0.00000000  0.00000000
      8.3172900  0.00000000  0.10741000  0.00000000  0.00000000  0.00000000
      2.2164500  0.00000000  0.95144600  0.00000000  0.00000000  0.00000000
      1.0791300  0.00000000  0.00000000 -0.37610800  0.00000000  0.00000000
      0.3024220  0.00000000  0.00000000  1.25165000  0.00000000  0.00000000
      0.0933392  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0331000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    7    4    0
     36.6716000  0.11335500  0.00000000  0.00000000  0.00000000
      8.3172900  0.45757800  0.00000000  0.00000000  0.00000000
      2.2164500  0.60742700  0.00000000  0.00000000  0.00000000
      1.0791300  0.00000000  0.06710300  0.00000000  0.00000000
      0.3024220  0.00000000  0.95688300  0.00000000  0.00000000
      0.0933392  0.00000000  0.00000000  1.00000000  0.00000000
      0.0331000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.4500000  1.00000000
a 15
$ PHOSPHORUS   (9s,6p) -> [4s,3p]                                
$ PHOSPHORUS   (Diffuse sp)                                      
$ PHOSPHORUS   (1d)                                              
$ S-TYPE FUNCTIONS
   10    5    0
   1054.9000000  0.06554100  0.00000000  0.00000000  0.00000000  0.00000000
    159.1950000  0.38403600  0.00000000  0.00000000  0.00000000  0.00000000
     34.5304000  0.67454100  0.00000000  0.00000000  0.00000000  0.00000000
     44.2866000  0.00000000 -0.10213000  0.00000000  0.00000000  0.00000000
     10.1019000  0.00000000  0.08159200  0.00000000  0.00000000  0.00000000
      2.7399700  0.00000000  0.96978800  0.00000000  0.00000000  0.00000000
      1.2186500  0.00000000  0.00000000 -0.37149500  0.00000000  0.00000000
      0.3955460  0.00000000  0.00000000  1.27099000  0.00000000  0.00000000
      0.1228110  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0348000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    7    4    0
     44.2866000  0.11085100  0.00000000  0.00000000  0.00000000
     10.1019000  0.45649500  0.00000000  0.00000000  0.00000000
      2.7399700  0.60693600  0.00000000  0.00000000  0.00000000
      1.2186500  0.00000000  0.09158200  0.00000000  0.00000000
      0.3955460  0.00000000  0.93492400  0.00000000  0.00000000
      0.1228110  0.00000000  0.00000000  1.00000000  0.00000000
      0.0348000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.5500000  1.00000000
a 16
$ SULFUR       (9s,6p) -> [4s,3p]                                
$ SULFUR       (Diffuse sp)                                      
$ SULFUR       (1d)                                              
$ S-TYPE FUNCTIONS
   10    5    0
   1210.6200000  0.06500700  0.00000000  0.00000000  0.00000000  0.00000000
    182.7470000  0.38204000  0.00000000  0.00000000  0.00000000  0.00000000
     39.6673000  0.67654500  0.00000000  0.00000000  0.00000000  0.00000000
     52.2236000  0.00000000 -0.10031000  0.00000000  0.00000000  0.00000000
     11.9629000  0.00000000  0.06508800  0.00000000  0.00000000  0.00000000
      3.2891100  0.00000000  0.98145500  0.00000000  0.00000000  0.00000000
      1.2238400  0.00000000  0.00000000 -0.28608900  0.00000000  0.00000000
      0.4573030  0.00000000  0.00000000  1.22806000  0.00000000  0.00000000
      0.1422690  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0405000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    7    4    0
     52.2236000  0.10964600  0.00000000  0.00000000  0.00000000
     11.9629000  0.45764900  0.00000000  0.00000000  0.00000000
      3.2891100  0.60426100  0.00000000  0.00000000  0.00000000
      1.2238400  0.00000000  0.16477700  0.00000000  0.00000000
      0.4573030  0.00000000  0.87085500  0.00000000  0.00000000
      0.1422690  0.00000000  0.00000000  1.00000000  0.00000000
      0.0405000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.6500000  1.00000000
a 17
$ CHLORINE     (9s,6p) -> [4s,3p]                                
$ CHLORINE     (Diffuse sp)                                      
$ CHLORINE     (1d)                                              
$ S-TYPE FUNCTIONS
   10    5    0
   1376.4000000  0.06458270  0.00000000  0.00000000  0.00000000  0.00000000
    207.8570000  0.38036300  0.00000000  0.00000000  0.00000000  0.00000000
     45.1554000  0.67819000  0.00000000  0.00000000  0.00000000  0.00000000
     60.8014000  0.00000000 -0.09876390  0.00000000  0.00000000  0.00000000
     13.9765000  0.00000000  0.05113380  0.00000000  0.00000000  0.00000000
      3.8871000  0.00000000  0.99133700  0.00000000  0.00000000  0.00000000
      1.3529900  0.00000000  0.00000000 -0.22240100  0.00000000  0.00000000
      0.5269550  0.00000000  0.00000000  1.18252000  0.00000000  0.00000000
      0.1667140  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0483000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    7    4    0
     60.8014000  0.10859800  0.00000000  0.00000000  0.00000000
     13.9765000  0.45868200  0.00000000  0.00000000  0.00000000
      3.8871000  0.60196200  0.00000000  0.00000000  0.00000000
      1.3529900  0.00000000  0.21921600  0.00000000  0.00000000
      0.5269550  0.00000000  0.82232100  0.00000000  0.00000000
      0.1667140  0.00000000  0.00000000  1.00000000  0.00000000
      0.0483000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.7500000  1.00000000



