$  6-311G(2df,2pd)  EMSL  Basis Set Exchange Library   6/18/08 5:30 PM          
$
$ Elements supported
$ H He Li Be B C N O F Ne K Ca
$
$ Elements                             References                               
$ --------                             ----------                               
$ H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,              
$             J. Chem. Phys. 72, 650 (1980)                                     
$ Na - Ar:    A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).    
$ K  - Ca:    J-P. Blaudeau, M. P. McGrath, L.A. Curtiss and L. Radom,          
$             J. Chem. Phys. 107, 5016 (1997).                                  
$ Ga - Kr:    L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis,         
$             R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).     
$ I      :    M.N. Glukhovstev, A. pross, M.P. McGrath, L. Radom, J. Chem. Phys.
$             103, 1878 (1995)                                                  
$                                                                               
$ Elements                             References                               
$ --------                             ----------                               
$ H-Ne: M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80, 3265 (1984)
$                                                                               
$****************************************************                 
a 1
$ HYDROGEN       (5s,2p,1d) -> [3s,2p,1d]                                       
$ HYDROGEN       (5s)->[3s]                                                     
$ HYDROGEN       (2p,1d)                                                        
$ S-TYPE FUNCTIONS
    5    3    0
    33.86500000  0.02549380  0.00000000  0.00000000
     5.09479000  0.19037300  0.00000000  0.00000000
     1.15879000  0.85216100  0.00000000  0.00000000
     0.32584000  0.00000000  1.00000000  0.00000000
     0.10274100  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    2    2    0
     1.50000000  1.00000000  0.00000000
     0.37500000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
     1.00000000  1.00000000
a 2
$ HELIUM       (5s,2p,1d) -> [3s,2p,1d]                                         
$ HELIUM       (5s)->[3s]                                                       
$ HELIUM       (2p,1d)                                                          
$ S-TYPE FUNCTIONS
    5    3    0
    98.12430000  0.02874520  0.00000000  0.00000000
    14.76890000  0.20806100  0.00000000  0.00000000
     3.31883000  0.83763500  0.00000000  0.00000000
     0.87404700  0.00000000  1.00000000  0.00000000
     0.24456400  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    2    2    0
     1.50000000  1.00000000  0.00000000
     0.37500000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
     2.00000000  1.00000000
a 3
$ LITHIUM       (11s,5p,2d,1f) -> [4s,3p,2d,1f]                                 
$ LITHIUM       (11s,5p)->[4s,3p]                                               
$ LITHIUM       (2d,1f)                                                         
$ S-TYPE FUNCTIONS
   11    4    0
   900.46000000  0.00228704  0.00000000  0.00000000  0.00000000
   134.43300000  0.01763500  0.00000000  0.00000000  0.00000000
    30.43650000  0.08734340  0.00000000  0.00000000  0.00000000
     8.62639000  0.28097700  0.00000000  0.00000000  0.00000000
     2.48332000  0.65874100  0.00000000  0.00000000  0.00000000
     0.30317900  0.11871200  0.00000000  0.00000000  0.00000000
     4.86890000  0.00000000  0.09332930  0.00000000  0.00000000
     0.85692400  0.00000000  0.94304500  0.00000000  0.00000000
     0.24322700  0.00000000 -0.00279827  0.00000000  0.00000000
     0.06350700  0.00000000  0.00000000  1.00000000  0.00000000
     0.02436830  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    3    0
     4.86890000  0.03276610  0.00000000  0.00000000
     0.85692400  0.15979200  0.00000000  0.00000000
     0.24322700  0.88566700  0.00000000  0.00000000
     0.06350700  0.00000000  1.00000000  0.00000000
     0.02436830  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     0.40000000  1.00000000  0.00000000
     0.10000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     0.15000000  1.00000000
a 4
$ BERYLLIUM       (11s,5p,2d,1f) -> [4s,3p,2d,1f]                               
$ BERYLLIUM       (11s,5p)->[4s,3p]                                             
$ BERYLLIUM       (2d,1f)                                                       
$ S-TYPE FUNCTIONS
   11    4    0
  1682.80000000  0.00228574  0.00000000  0.00000000  0.00000000
   251.71500000  0.01759380  0.00000000  0.00000000  0.00000000
    57.41160000  0.08633150  0.00000000  0.00000000  0.00000000
    16.51710000  0.28183500  0.00000000  0.00000000  0.00000000
     4.85364000  0.64059400  0.00000000  0.00000000  0.00000000
     0.62686300  0.14446700  0.00000000  0.00000000  0.00000000
     8.30938000  0.00000000  0.10862100  0.00000000  0.00000000
     1.74075000  0.00000000  0.92730100  0.00000000  0.00000000
     0.48581600  0.00000000 -0.00297169  0.00000000  0.00000000
     0.16361300  0.00000000  0.00000000  1.00000000  0.00000000
     0.05672850  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    3    0
     8.30938000  0.03613440  0.00000000  0.00000000
     1.74075000  0.21695800  0.00000000  0.00000000
     0.48581600  0.84183900  0.00000000  0.00000000
     0.16361300  0.00000000  1.00000000  0.00000000
     0.05672850  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     0.51000000  1.00000000  0.00000000
     0.12750000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     0.26000000  1.00000000
a 5
$ BORON       (11s,5p,2d,1f) -> [4s,3p,2d,1f]                                   
$ BORON       (11s,5p)->[4s,3p]                                                 
$ BORON       (2d,1f)                                                           
$ S-TYPE FUNCTIONS
   11    4    0
  2858.89000000  0.00215375  0.00000000  0.00000000  0.00000000
   428.14000000  0.01658230  0.00000000  0.00000000  0.00000000
    97.52820000  0.08218700  0.00000000  0.00000000  0.00000000
    27.96930000  0.27661800  0.00000000  0.00000000  0.00000000
     8.21577000  0.62931600  0.00000000  0.00000000  0.00000000
     1.11278000  0.17377000  0.00000000  0.00000000  0.00000000
    13.24150000  0.00000000  0.11744300  0.00000000  0.00000000
     3.00166000  0.00000000  0.91800200  0.00000000  0.00000000
     0.91285600  0.00000000 -0.00265105  0.00000000  0.00000000
     0.31545400  0.00000000  0.00000000  1.00000000  0.00000000
     0.09885630  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    3    0
    13.24150000  0.04181000  0.00000000  0.00000000
     3.00166000  0.23657500  0.00000000  0.00000000
     0.91285600  0.81621400  0.00000000  0.00000000
     0.31545400  0.00000000  1.00000000  0.00000000
     0.09885630  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     0.80200000  1.00000000  0.00000000
     0.20050000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     0.50000000  1.00000000
a 6
$ CARBON       (11s,5p,2d,1f) -> [4s,3p,2d,1f]                                  
$ CARBON       (11s,5p)->[4s,3p]                                                
$ CARBON       (2d,1f)                                                          
$ S-TYPE FUNCTIONS
   11    4    0
  4563.24000000  0.00196665  0.00000000  0.00000000  0.00000000
   682.02400000  0.01523060  0.00000000  0.00000000  0.00000000
   154.97300000  0.07612690  0.00000000  0.00000000  0.00000000
    44.45530000  0.26080100  0.00000000  0.00000000  0.00000000
    13.02900000  0.61646200  0.00000000  0.00000000  0.00000000
     1.82773000  0.22100600  0.00000000  0.00000000  0.00000000
    20.96420000  0.00000000  0.11466000  0.00000000  0.00000000
     4.80331000  0.00000000  0.91999900  0.00000000  0.00000000
     1.45933000  0.00000000 -0.00303068  0.00000000  0.00000000
     0.48345600  0.00000000  0.00000000  1.00000000  0.00000000
     0.14558500  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    3    0
    20.96420000  0.04024870  0.00000000  0.00000000
     4.80331000  0.23759400  0.00000000  0.00000000
     1.45933000  0.81585400  0.00000000  0.00000000
     0.48345600  0.00000000  1.00000000  0.00000000
     0.14558500  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     1.25200000  1.00000000  0.00000000
     0.31300000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     0.80000000  1.00000000
a 7
$ NITROGEN       (11s,5p,2d,1f) -> [4s,3p,2d,1f]                                
$ NITROGEN       (11s,5p)->[4s,3p]                                              
$ NITROGEN       (2d,1f)                                                        
$ S-TYPE FUNCTIONS
   11    4    0
  6293.48000000  0.00196979  0.00000000  0.00000000  0.00000000
   949.04400000  0.01496130  0.00000000  0.00000000  0.00000000
   218.77600000  0.07350060  0.00000000  0.00000000  0.00000000
    63.69160000  0.24893700  0.00000000  0.00000000  0.00000000
    18.82820000  0.60246000  0.00000000  0.00000000  0.00000000
     2.72023000  0.25620200  0.00000000  0.00000000  0.00000000
    30.63310000  0.00000000  0.11190600  0.00000000  0.00000000
     7.02614000  0.00000000  0.92166600  0.00000000  0.00000000
     2.11205000  0.00000000 -0.00256919  0.00000000  0.00000000
     0.68400900  0.00000000  0.00000000  1.00000000  0.00000000
     0.20087800  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    3    0
    30.63310000  0.03831190  0.00000000  0.00000000
     7.02614000  0.23740300  0.00000000  0.00000000
     2.11205000  0.81759200  0.00000000  0.00000000
     0.68400900  0.00000000  1.00000000  0.00000000
     0.20087800  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     1.82600000  1.00000000  0.00000000
     0.45650000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     1.00000000  1.00000000
a 8
$ OXYGEN       (11s,5p,2d,1f) -> [4s,3p,2d,1f]                                  
$ OXYGEN       (11s,5p)->[4s,3p]                                                
$ OXYGEN       (2d,1f)                                                          
$ S-TYPE FUNCTIONS
   11    4    0
  8588.50000000  0.00189515  0.00000000  0.00000000  0.00000000
  1297.23000000  0.01438590  0.00000000  0.00000000  0.00000000
   299.29600000  0.07073200  0.00000000  0.00000000  0.00000000
    87.37710000  0.24000100  0.00000000  0.00000000  0.00000000
    25.67890000  0.59479700  0.00000000  0.00000000  0.00000000
     3.74004000  0.28080200  0.00000000  0.00000000  0.00000000
    42.11750000  0.00000000  0.11388900  0.00000000  0.00000000
     9.62837000  0.00000000  0.92081100  0.00000000  0.00000000
     2.85332000  0.00000000 -0.00327447  0.00000000  0.00000000
     0.90566100  0.00000000  0.00000000  1.00000000  0.00000000
     0.25561100  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    3    0
    42.11750000  0.03651140  0.00000000  0.00000000
     9.62837000  0.23715300  0.00000000  0.00000000
     2.85332000  0.81970200  0.00000000  0.00000000
     0.90566100  0.00000000  1.00000000  0.00000000
     0.25561100  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     2.58400000  1.00000000  0.00000000
     0.64600000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     1.40000000  1.00000000
a 9
$ FLUORINE       (11s,5p,2d,1f) -> [4s,3p,2d,1f]                                
$ FLUORINE       (11s,5p)->[4s,3p]                                              
$ FLUORINE       (2d,1f)                                                        
$ S-TYPE FUNCTIONS
   11    4    0
 11427.10000000  0.00180093  0.00000000  0.00000000  0.00000000
  1722.35000000  0.01374190  0.00000000  0.00000000  0.00000000
   395.74600000  0.06813340  0.00000000  0.00000000  0.00000000
   115.13900000  0.23332500  0.00000000  0.00000000  0.00000000
    33.60260000  0.58908600  0.00000000  0.00000000  0.00000000
     4.91901000  0.29950500  0.00000000  0.00000000  0.00000000
    55.44410000  0.00000000  0.11453600  0.00000000  0.00000000
    12.63230000  0.00000000  0.92051200  0.00000000  0.00000000
     3.71756000  0.00000000 -0.00337804  0.00000000  0.00000000
     1.16545000  0.00000000  0.00000000  1.00000000  0.00000000
     0.32189200  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    3    0
    55.44410000  0.03546090  0.00000000  0.00000000
    12.63230000  0.23745100  0.00000000  0.00000000
     3.71756000  0.82045800  0.00000000  0.00000000
     1.16545000  0.00000000  1.00000000  0.00000000
     0.32189200  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     2.39600000  1.00000000  0.00000000
     0.87500000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     1.85000000  1.00000000
a 10
$ NEON       (11s,5p,2d,1f) -> [4s,3p,2d,1f]                                    
$ NEON       (11s,5p)->[4s,3p]                                                  
$ NEON       (2d,1f)                                                            
$ S-TYPE FUNCTIONS
   11    4    0
 13995.70000000  0.00183276  0.00000000  0.00000000  0.00000000
  2117.10000000  0.01388270  0.00000000  0.00000000  0.00000000
   490.42500000  0.06806870  0.00000000  0.00000000  0.00000000
   143.83300000  0.23132800  0.00000000  0.00000000  0.00000000
    41.92650000  0.58589000  0.00000000  0.00000000  0.00000000
     6.15684000  0.30588300  0.00000000  0.00000000  0.00000000
    69.12110000  0.00000000  0.11914900  0.00000000  0.00000000
    15.83500000  0.00000000  0.91737500  0.00000000  0.00000000
     4.67326000  0.00000000 -0.00405839  0.00000000  0.00000000
     1.45756000  0.00000000  0.00000000  1.00000000  0.00000000
     0.39705700  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    3    0
    69.12110000  0.03565740  0.00000000  0.00000000
    15.83500000  0.23947700  0.00000000  0.00000000
     4.67326000  0.81846100  0.00000000  0.00000000
     1.45756000  0.00000000  1.00000000  0.00000000
     0.39705700  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    2    2    0
     4.60800000  1.00000000  0.00000000
     1.15200000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     2.50000000  1.00000000
a 19
$ POTASSIUM       (14s,11p,5d,1f) -> [8s,7p,3d,1f]                              
$ POTASSIUM       (14s,11p,3d)->[8s,7p,1d]                                      
$ POTASSIUM       (2d,1f)                                                       
$ S-TYPE FUNCTIONS
   14    8    0
   182594.00000  0.00022775  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
 27369.00000000  0.00176640  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
  6229.17000000  0.00919497  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
  1764.58000000  0.03745510  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   577.05100000  0.12204500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   210.24900000  0.29899000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    82.61780000  0.00000000  0.40514700  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    33.23320000  0.00000000  0.29253200  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     8.10649000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     3.33403000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     0.84554400  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000
     0.32821600  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000
     0.03640350  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000
     0.01764630  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   11    7    0
   891.05400000  0.00218429  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
   211.01600000  0.01758910  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
    67.67140000  0.08177750  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
    25.27150000  0.00000000  0.24565600  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
    10.13900000  0.00000000  0.43398400  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     4.20186000  0.00000000  0.36237700  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.62507000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     0.64377000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000
     0.24613000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000
     0.04544000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
     0.01616000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ D-TYPE FUNCTIONS
    5    3    0
    13.37000000  0.03160160  0.00000000  0.00000000
     3.42100000  0.15687900  0.00000000  0.00000000
     1.06300000  0.39058200  0.00000000  0.00000000
     0.45800000  0.00000000  1.00000000  0.00000000
     0.11450000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     1.11000000  1.00000000
a 20
$ CALCIUM       (14s,11p,5d,1f) -> [8s,7p,3d,1f]                                
$ CALCIUM       (14s,11p,3d)->[8s,7p,1d]                                        
$ CALCIUM       (2d,1f)                                                         
$ S-TYPE FUNCTIONS
   14    8    0
   202699.00000  0.00022296  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
 30382.50000000  0.00172932  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
  6915.08000000  0.00900226  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
  1959.02000000  0.03666990  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   640.93600000  0.11941000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   233.97700000  0.29182500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    92.28920000  0.00000000  0.40441500  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    37.25450000  0.00000000  0.29631300  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     9.13198000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     3.81779000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     1.04935000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000
     0.42866000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000
     0.06282260  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000
     0.02601620  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   11    7    0
  1019.76000000  0.00205986  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
   241.59600000  0.01665010  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
    77.63700000  0.07776460  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
    29.11540000  0.00000000  0.24180600  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
    11.76260000  0.00000000  0.43257800  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     4.92289000  0.00000000  0.36732500  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.90645000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     0.73690000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000
     0.27642000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000
     0.06027000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
     0.01791000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ D-TYPE FUNCTIONS
    5    3    0
    15.08000000  0.03689470  0.00000000  0.00000000
     3.92600000  0.17782000  0.00000000  0.00000000
     1.23300000  0.42551300  0.00000000  0.00000000
     0.52000000  0.00000000  1.00000000  0.00000000
     0.13000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     1.33000000  1.00000000
 
$ END OF BASIS
 
