File: DunningDZ

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$DZ (Dunning)

$
$  REFERENCE
$ T.H. DUNNING, JR., J. CHEM. PHYS. 53, 2823 (1970).                           
$ T.H. DUNNING, JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE THEORY,   
$ VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977).                         
a 1
$ HYDROGEN     (4s) -> [2s]                                      
$ S-TYPE FUNCTIONS
    4    2    0
     19.2406000  0.03282800  0.00000000
      2.8992000  0.23120800  0.00000000
      0.6534000  0.81723800  0.00000000
      0.1776000  0.00000000  1.00000000
a 5
$ BORON        (9s,5p) -> [4s,2p]                                
$ S-TYPE FUNCTIONS
    9    4    0
   2788.4100000  0.00212200  0.00000000  0.00000000  0.00000000
    419.0390000  0.01617100  0.00000000  0.00000000  0.00000000
     96.4683000  0.07835600  0.00000000  0.00000000  0.00000000
     28.0694000  0.26325000  0.00000000  0.00000000  0.00000000
      9.3760000  0.59672900  0.00000000  0.00000000  0.00000000
      1.3057000  0.23039700  0.00000000  0.00000000  0.00000000
      3.4062000  0.00000000  1.00000000  0.00000000  0.00000000
      0.3245000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1022000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    2    0
     11.3413000  0.01798700  0.00000000
      2.4360000  0.11033900  0.00000000
      0.6836000  0.38311100  0.00000000
      0.2134000  0.64786000  0.00000000
      0.0701000  0.00000000  1.00000000
a 6
$ CARBON       (9s,5p) -> [4s,2p]                                
$ S-TYPE FUNCTIONS
    9    4    0
   4232.6100000  0.00202900  0.00000000  0.00000000  0.00000000
    634.8820000  0.01553500  0.00000000  0.00000000  0.00000000
    146.0970000  0.07541100  0.00000000  0.00000000  0.00000000
     42.4974000  0.25712100  0.00000000  0.00000000  0.00000000
     14.1892000  0.59655500  0.00000000  0.00000000  0.00000000
      1.9666000  0.24251700  0.00000000  0.00000000  0.00000000
      5.1477000  0.00000000  1.00000000  0.00000000  0.00000000
      0.4962000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1533000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    2    0
     18.1557000  0.01853400  0.00000000
      3.9864000  0.11544200  0.00000000
      1.1429000  0.38620600  0.00000000
      0.3594000  0.64008900  0.00000000
      0.1146000  0.00000000  1.00000000
a 7
$ NITROGEN     (9s,5p) -> [4s,2p]                                
$ S-TYPE FUNCTIONS
    9    4    0
   5909.4400000  0.00200400  0.00000000  0.00000000  0.00000000
    887.4510000  0.01531000  0.00000000  0.00000000  0.00000000
    204.7490000  0.07429300  0.00000000  0.00000000  0.00000000
     59.8376000  0.25336400  0.00000000  0.00000000  0.00000000
     19.9981000  0.60057600  0.00000000  0.00000000  0.00000000
      2.6860000  0.24511100  0.00000000  0.00000000  0.00000000
      7.1927000  0.00000000  1.00000000  0.00000000  0.00000000
      0.7000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.2133000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    2    0
     26.7860000  0.01825700  0.00000000
      5.9564000  0.11640700  0.00000000
      1.7074000  0.39011100  0.00000000
      0.5314000  0.63722100  0.00000000
      0.1654000  0.00000000  1.00000000
a 8
$ OXYGEN       (9s,5p) -> [4s,2p]                                
$ S-TYPE FUNCTIONS
    9    4    0
   7816.5400000  0.00203100  0.00000000  0.00000000  0.00000000
   1175.8200000  0.01543600  0.00000000  0.00000000  0.00000000
    273.1880000  0.07377100  0.00000000  0.00000000  0.00000000
     81.1696000  0.24760600  0.00000000  0.00000000  0.00000000
     27.1836000  0.61183200  0.00000000  0.00000000  0.00000000
      3.4136000  0.24120500  0.00000000  0.00000000  0.00000000
      9.5322000  0.00000000  1.00000000  0.00000000  0.00000000
      0.9398000  0.00000000  0.00000000  1.00000000  0.00000000
      0.2846000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    2    0
     35.1832000  0.01958000  0.00000000
      7.9040000  0.12418900  0.00000000
      2.3051000  0.39472700  0.00000000
      0.7171000  0.62737500  0.00000000
      0.2137000  0.00000000  1.00000000
a 9
$ FLUORINE     (9s,5p) -> [4s,2p]                                
$ S-TYPE FUNCTIONS
    9    4    0
   9994.7900000  0.00201700  0.00000000  0.00000000  0.00000000
   1506.0300000  0.01529500  0.00000000  0.00000000  0.00000000
    350.2690000  0.07311000  0.00000000  0.00000000  0.00000000
    104.0530000  0.24642000  0.00000000  0.00000000  0.00000000
     34.8432000  0.61259300  0.00000000  0.00000000  0.00000000
      4.3688000  0.24248900  0.00000000  0.00000000  0.00000000
     12.2164000  0.00000000  1.00000000  0.00000000  0.00000000
      1.2078000  0.00000000  0.00000000  1.00000000  0.00000000
      0.3634000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    2    0
     44.3555000  0.02086800  0.00000000
     10.0820000  0.13009200  0.00000000
      2.9959000  0.39621900  0.00000000
      0.9383000  0.62036800  0.00000000
      0.2733000  0.00000000  1.00000000
a 10
$ NEON         (9s,5p) -> [4s,2p]                                
$ S-TYPE FUNCTIONS
   10    4    0
  12100.0000000  0.00120000  0.00000000  0.00000000  0.00000000
   1821.0000000  0.00909200  0.00000000  0.00000000  0.00000000
    432.8000000  0.04130500  0.00000000  0.00000000  0.00000000
    132.5000000  0.13786700  0.00000000  0.00000000  0.00000000
     43.7700000  0.36243300  0.00000000  0.00000000  0.00000000
     14.9100000  0.47224700  0.00000000  0.00000000  0.00000000
      5.1270000  0.13003500  0.00000000  0.00000000  0.00000000
     14.9100000  0.00000000  1.00000000  0.00000000  0.00000000
      1.4910000  0.00000000  0.00000000  1.00000000  0.00000000
      0.4468000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    2    0
     56.4500000  0.02087500  0.00000000
     12.9200000  0.13003200  0.00000000
      3.8650000  0.39567900  0.00000000
      1.2030000  0.62145000  0.00000000
      0.3444000  0.00000000  1.00000000
a 13
$ ALUMINUM     (11s,7p) -> [6s,4p]                               
$ S-TYPE FUNCTIONS
   12    6    0
  23490.0000000  0.00250900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   3548.0000000  0.01898600  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    823.5000000  0.09291400  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    237.7000000  0.33593500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     78.6000000  0.64739100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     78.6000000  0.00000000  0.11193700  0.00000000  0.00000000  0.00000000  0.00000000
     29.0500000  0.00000000  0.65597600  0.00000000  0.00000000  0.00000000  0.00000000
     11.6200000  0.00000000  0.28334900  0.00000000  0.00000000  0.00000000  0.00000000
      3.4650000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      1.2330000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.2018000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0780500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    8    4    0
    141.5000000  0.01788200  0.00000000  0.00000000  0.00000000
     33.2200000  0.12037500  0.00000000  0.00000000  0.00000000
     10.3900000  0.41158000  0.00000000  0.00000000  0.00000000
      3.5930000  0.59535300  0.00000000  0.00000000  0.00000000
      3.5930000  0.00000000  0.21175800  0.00000000  0.00000000
      1.2420000  0.00000000  0.83779500  0.00000000  0.00000000
      0.3040000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0762900  0.00000000  0.00000000  0.00000000  1.00000000
a 14
$ SILICON      (11s,7p) -> [6s,4p]                               
$ S-TYPE FUNCTIONS
   12    6    0
  26740.0000000  0.00258300  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   4076.0000000  0.01923700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    953.3000000  0.09384300  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    274.6000000  0.34123500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     90.6800000  0.64167500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     90.6800000  0.00000000  0.12143900  0.00000000  0.00000000  0.00000000  0.00000000
     33.5300000  0.00000000  0.65314300  0.00000000  0.00000000  0.00000000  0.00000000
     13.4600000  0.00000000  0.27762400  0.00000000  0.00000000  0.00000000  0.00000000
      4.0510000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      1.4840000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.2704000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0993200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    8    4    0
    163.7000000  0.01149800  0.00000000  0.00000000  0.00000000
     38.3500000  0.07772600  0.00000000  0.00000000  0.00000000
     12.0200000  0.26359500  0.00000000  0.00000000  0.00000000
      4.1850000  0.75826900  0.00000000  0.00000000  0.00000000
      4.1850000  0.00000000 -1.17304500  0.00000000  0.00000000
      1.4830000  0.00000000  1.43833500  0.00000000  0.00000000
      0.3350000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0969900  0.00000000  0.00000000  0.00000000  1.00000000
a 15
$ PHOSPHORUS   (11s,7p) -> [6s,4p]                               
$ S-TYPE FUNCTIONS
   12    6    0
  30630.0000000  0.00261900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   4684.0000000  0.01947900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   1094.0000000  0.09520700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    315.3000000  0.34574200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    104.1000000  0.63628800  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    104.1000000  0.00000000  0.13070600  0.00000000  0.00000000  0.00000000  0.00000000
     38.4200000  0.00000000  0.65027400  0.00000000  0.00000000  0.00000000  0.00000000
     15.4500000  0.00000000  0.27230800  0.00000000  0.00000000  0.00000000  0.00000000
      4.6560000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      1.7590000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.3409000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1238000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    8    4    0
    187.7000000  0.01315800  0.00000000  0.00000000  0.00000000
     43.6300000  0.09049400  0.00000000  0.00000000  0.00000000
     13.6000000  0.30505400  0.00000000  0.00000000  0.00000000
      4.7660000  0.71357900  0.00000000  0.00000000  0.00000000
      4.7660000  0.00000000 -0.79257300  0.00000000  0.00000000
      1.7430000  0.00000000  1.42998700  0.00000000  0.00000000
      0.4192000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1245000  0.00000000  0.00000000  0.00000000  1.00000000
a 16
$ SULFUR       (11s,7p) -> [6s,4p]                               
$ S-TYPE FUNCTIONS
   12    6    0
  35710.0000000  0.00256500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   5397.0000000  0.01940500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   1250.0000000  0.09559500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    359.9000000  0.34579300  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    119.2000000  0.63579400  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    119.2000000  0.00000000  0.13009600  0.00000000  0.00000000  0.00000000  0.00000000
     43.9800000  0.00000000  0.65130100  0.00000000  0.00000000  0.00000000  0.00000000
     17.6300000  0.00000000  0.27195500  0.00000000  0.00000000  0.00000000  0.00000000
      5.4200000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      2.0740000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.4264000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1519000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    8    4    0
    212.9000000  0.01409100  0.00000000  0.00000000  0.00000000
     49.6000000  0.09668500  0.00000000  0.00000000  0.00000000
     15.5200000  0.32387400  0.00000000  0.00000000  0.00000000
      5.4760000  0.69175600  0.00000000  0.00000000  0.00000000
      5.4760000  0.00000000 -0.62673700  0.00000000  0.00000000
      2.0440000  0.00000000  1.37705100  0.00000000  0.00000000
      0.5218000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1506000  0.00000000  0.00000000  0.00000000  1.00000000
a 17
$ CHLORINE     (11s,7p) -> [6s,4p]                               
$ S-TYPE FUNCTIONS
   12    6    0
  40850.0000000  0.00253200  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   6179.0000000  0.01920700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   1425.0000000  0.09525700  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    409.2000000  0.34558900  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    135.5000000  0.63640100  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    135.5000000  0.00000000  0.12905600  0.00000000  0.00000000  0.00000000  0.00000000
     50.1300000  0.00000000  0.64851100  0.00000000  0.00000000  0.00000000  0.00000000
     20.2100000  0.00000000  0.27548700  0.00000000  0.00000000  0.00000000  0.00000000
      6.2830000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      2.4600000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.5271000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1884000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    8    4    0
    240.8000000  0.01459500  0.00000000  0.00000000  0.00000000
     56.5600000  0.09904700  0.00000000  0.00000000  0.00000000
     17.8500000  0.33046200  0.00000000  0.00000000  0.00000000
      6.3500000  0.68287400  0.00000000  0.00000000  0.00000000
      6.3500000  0.00000000 -0.56178500  0.00000000  0.00000000
      2.4030000  0.00000000  1.35190100  0.00000000  0.00000000
      0.6410000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1838000  0.00000000  0.00000000  0.00000000  1.00000000


$Elements supported

$H B C N O F Ne Al Si P S Cl