File: 6-311++Gss

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$Basis = 6-311++G**

$Elements supported
$H He Li Be B C N O F Ne 
$
$  REFERENCE
$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)
$
$  Polarization functions
$Elements                             References
$--------                             ----------
$Li - Ar: R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople,
$         J. Chem. Phys. 72, 650 (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)
$
$  Diffuse functions
$Elements                             Reference
$--------                             ----------
$ H, Li-Cl: T. Clark, J. Chandrasekhar, G.W. Spitznagel and P.V.R. Schleyer,
$           J. Comp. Chem. 4, 294 (1983).
$
a 1
$ HYDROGEN     (5s) -> [3s]                                      
$ HYDROGEN     (1p)                                              
$ HYDROGEN     (Diffuse s)                                       
$ S-TYPE FUNCTIONS
    6    4    0
     33.8650000  0.02549380  0.00000000  0.00000000  0.00000000
      5.0947900  0.19037300  0.00000000  0.00000000  0.00000000
      1.1587900  0.85216100  0.00000000  0.00000000  0.00000000
      0.3258400  0.00000000  1.00000000  0.00000000  0.00000000
      0.1027410  0.00000000  0.00000000  1.00000000  0.00000000
      0.0360000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    1    1    0
      0.7500000  1.00000000
a 2
$ HELIUM       (5s) -> [3s]                                      
$ HELIUM       (1p)                                              
$ S-TYPE FUNCTIONS
    5    3    0
     98.1243000  0.02874520  0.00000000  0.00000000
     14.7689000  0.20806100  0.00000000  0.00000000
      3.3188300  0.83763500  0.00000000  0.00000000
      0.8740470  0.00000000  1.00000000  0.00000000
      0.2445640  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    1    1    0
      0.7500000  1.00000000
a 3
$ LITHIUM      (11s,5p) -> [4s,3p]                               
$ LITHIUM      (1d)                                              
$ LITHIUM      (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
   12    5    0
    900.4600000  0.00228704  0.00000000  0.00000000  0.00000000  0.00000000
    134.4330000  0.01763500  0.00000000  0.00000000  0.00000000  0.00000000
     30.4365000  0.08734340  0.00000000  0.00000000  0.00000000  0.00000000
      8.6263900  0.28097700  0.00000000  0.00000000  0.00000000  0.00000000
      2.4833200  0.65874100  0.00000000  0.00000000  0.00000000  0.00000000
      0.3031790  0.11871200  0.00000000  0.00000000  0.00000000  0.00000000
      4.8689000  0.00000000  0.09332930  0.00000000  0.00000000  0.00000000
      0.8569240  0.00000000  0.94304500  0.00000000  0.00000000  0.00000000
      0.2432270  0.00000000 -0.00279827  0.00000000  0.00000000  0.00000000
      0.0635070  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.0243683  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0074000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
      4.8689000  0.03276610  0.00000000  0.00000000  0.00000000
      0.8569240  0.15979200  0.00000000  0.00000000  0.00000000
      0.2432270  0.88566700  0.00000000  0.00000000  0.00000000
      0.0635070  0.00000000  1.00000000  0.00000000  0.00000000
      0.0243683  0.00000000  0.00000000  1.00000000  0.00000000
      0.0074000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.2000000  1.00000000
a 4
$ BERYLLIUM    (11s,5p) -> [4s,3p]                               
$ BERYLLIUM    (1d)                                              
$ BERYLLIUM    (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
   12    5    0
   1682.8000000  0.00228574  0.00000000  0.00000000  0.00000000  0.00000000
    251.7150000  0.01759380  0.00000000  0.00000000  0.00000000  0.00000000
     57.4116000  0.08633150  0.00000000  0.00000000  0.00000000  0.00000000
     16.5171000  0.28183500  0.00000000  0.00000000  0.00000000  0.00000000
      4.8536400  0.64059400  0.00000000  0.00000000  0.00000000  0.00000000
      0.6268630  0.14446700  0.00000000  0.00000000  0.00000000  0.00000000
      8.3093800  0.00000000  0.10862100  0.00000000  0.00000000  0.00000000
      1.7407500  0.00000000  0.92730100  0.00000000  0.00000000  0.00000000
      0.4858160  0.00000000 -0.00297169  0.00000000  0.00000000  0.00000000
      0.1636130  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.0567285  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0207000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
      8.3093800  0.03613440  0.00000000  0.00000000  0.00000000
      1.7407500  0.21695800  0.00000000  0.00000000  0.00000000
      0.4858160  0.84183900  0.00000000  0.00000000  0.00000000
      0.1636130  0.00000000  1.00000000  0.00000000  0.00000000
      0.0567285  0.00000000  0.00000000  1.00000000  0.00000000
      0.0207000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.2550000  1.00000000
a 5
$ BORON        (11s,5p) -> [4s,3p]                               
$ BORON        (1d)                                              
$ BORON        (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
   12    5    0
   2858.8900000  0.00215375  0.00000000  0.00000000  0.00000000  0.00000000
    428.1400000  0.01658230  0.00000000  0.00000000  0.00000000  0.00000000
     97.5282000  0.08218700  0.00000000  0.00000000  0.00000000  0.00000000
     27.9693000  0.27661800  0.00000000  0.00000000  0.00000000  0.00000000
      8.2157700  0.62931600  0.00000000  0.00000000  0.00000000  0.00000000
      1.1127800  0.17377000  0.00000000  0.00000000  0.00000000  0.00000000
     13.2415000  0.00000000  0.11744300  0.00000000  0.00000000  0.00000000
      3.0016600  0.00000000  0.91800200  0.00000000  0.00000000  0.00000000
      0.9128560  0.00000000 -0.00265105  0.00000000  0.00000000  0.00000000
      0.3154540  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.0988563  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0315000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
     13.2415000  0.04181000  0.00000000  0.00000000  0.00000000
      3.0016600  0.23657500  0.00000000  0.00000000  0.00000000
      0.9128560  0.81621400  0.00000000  0.00000000  0.00000000
      0.3154540  0.00000000  1.00000000  0.00000000  0.00000000
      0.0988563  0.00000000  0.00000000  1.00000000  0.00000000
      0.0315000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.4010000  1.00000000
a 6
$ CARBON       (11s,5p) -> [4s,3p]                               
$ CARBON       (1d)                                              
$ CARBON       (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
   12    5    0
   4563.2400000  0.00196665  0.00000000  0.00000000  0.00000000  0.00000000
    682.0240000  0.01523060  0.00000000  0.00000000  0.00000000  0.00000000
    154.9730000  0.07612690  0.00000000  0.00000000  0.00000000  0.00000000
     44.4553000  0.26080100  0.00000000  0.00000000  0.00000000  0.00000000
     13.0290000  0.61646200  0.00000000  0.00000000  0.00000000  0.00000000
      1.8277300  0.22100600  0.00000000  0.00000000  0.00000000  0.00000000
     20.9642000  0.00000000  0.11466000  0.00000000  0.00000000  0.00000000
      4.8033100  0.00000000  0.91999900  0.00000000  0.00000000  0.00000000
      1.4593300  0.00000000 -0.00303068  0.00000000  0.00000000  0.00000000
      0.4834560  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.1455850  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0438000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
     20.9642000  0.04024870  0.00000000  0.00000000  0.00000000
      4.8033100  0.23759400  0.00000000  0.00000000  0.00000000
      1.4593300  0.81585400  0.00000000  0.00000000  0.00000000
      0.4834560  0.00000000  1.00000000  0.00000000  0.00000000
      0.1455850  0.00000000  0.00000000  1.00000000  0.00000000
      0.0438000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.6260000  1.00000000
a 7
$ NITROGEN     (11s,5p) -> [4s,3p]                               
$ NITROGEN     (1d)                                              
$ NITROGEN     (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
   12    5    0
   6293.4800000  0.00196979  0.00000000  0.00000000  0.00000000  0.00000000
    949.0440000  0.01496130  0.00000000  0.00000000  0.00000000  0.00000000
    218.7760000  0.07350060  0.00000000  0.00000000  0.00000000  0.00000000
     63.6916000  0.24893700  0.00000000  0.00000000  0.00000000  0.00000000
     18.8282000  0.60246000  0.00000000  0.00000000  0.00000000  0.00000000
      2.7202300  0.25620200  0.00000000  0.00000000  0.00000000  0.00000000
     30.6331000  0.00000000  0.11190600  0.00000000  0.00000000  0.00000000
      7.0261400  0.00000000  0.92166600  0.00000000  0.00000000  0.00000000
      2.1120500  0.00000000 -0.00256919  0.00000000  0.00000000  0.00000000
      0.6840090  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.2008780  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0639000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
     30.6331000  0.03831190  0.00000000  0.00000000  0.00000000
      7.0261400  0.23740300  0.00000000  0.00000000  0.00000000
      2.1120500  0.81759200  0.00000000  0.00000000  0.00000000
      0.6840090  0.00000000  1.00000000  0.00000000  0.00000000
      0.2008780  0.00000000  0.00000000  1.00000000  0.00000000
      0.0639000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      0.9130000  1.00000000
a 8
$ OXYGEN       (11s,5p) -> [4s,3p]                               
$ OXYGEN       (1d)                                              
$ OXYGEN       (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
   12    5    0
   8588.5000000  0.00189515  0.00000000  0.00000000  0.00000000  0.00000000
   1297.2300000  0.01438590  0.00000000  0.00000000  0.00000000  0.00000000
    299.2960000  0.07073200  0.00000000  0.00000000  0.00000000  0.00000000
     87.3771000  0.24000100  0.00000000  0.00000000  0.00000000  0.00000000
     25.6789000  0.59479700  0.00000000  0.00000000  0.00000000  0.00000000
      3.7400400  0.28080200  0.00000000  0.00000000  0.00000000  0.00000000
     42.1175000  0.00000000  0.11388900  0.00000000  0.00000000  0.00000000
      9.6283700  0.00000000  0.92081100  0.00000000  0.00000000  0.00000000
      2.8533200  0.00000000 -0.00327447  0.00000000  0.00000000  0.00000000
      0.9056610  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.2556110  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0845000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
     42.1175000  0.03651140  0.00000000  0.00000000  0.00000000
      9.6283700  0.23715300  0.00000000  0.00000000  0.00000000
      2.8533200  0.81970200  0.00000000  0.00000000  0.00000000
      0.9056610  0.00000000  1.00000000  0.00000000  0.00000000
      0.2556110  0.00000000  0.00000000  1.00000000  0.00000000
      0.0845000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      1.2920000  1.00000000
a 9
$ FLUORINE     (11s,5p) -> [4s,3p]                               
$ FLUORINE     (1d)                                              
$ FLUORINE     (Diffuse sp)                                      
$ S-TYPE FUNCTIONS
   12    5    0
  11427.1000000  0.00180093  0.00000000  0.00000000  0.00000000  0.00000000
   1722.3500000  0.01374190  0.00000000  0.00000000  0.00000000  0.00000000
    395.7460000  0.06813340  0.00000000  0.00000000  0.00000000  0.00000000
    115.1390000  0.23332500  0.00000000  0.00000000  0.00000000  0.00000000
     33.6026000  0.58908600  0.00000000  0.00000000  0.00000000  0.00000000
      4.9190100  0.29950500  0.00000000  0.00000000  0.00000000  0.00000000
     55.4441000  0.00000000  0.11453600  0.00000000  0.00000000  0.00000000
     12.6323000  0.00000000  0.92051200  0.00000000  0.00000000  0.00000000
      3.7175600  0.00000000 -0.00337804  0.00000000  0.00000000  0.00000000
      1.1654500  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.3218920  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.1076000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    4    0
     55.4441000  0.03546090  0.00000000  0.00000000  0.00000000
     12.6323000  0.23745100  0.00000000  0.00000000  0.00000000
      3.7175600  0.82045800  0.00000000  0.00000000  0.00000000
      1.1654500  0.00000000  1.00000000  0.00000000  0.00000000
      0.3218920  0.00000000  0.00000000  1.00000000  0.00000000
      0.1076000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      1.7500000  1.00000000
a 10
$ NEON         (11s,5p) -> [4s,3p]                               
$ NEON         (1d)                                              
$ S-TYPE FUNCTIONS
   11    4    0
  13995.7000000  0.00183276  0.00000000  0.00000000  0.00000000
   2117.1000000  0.01388270  0.00000000  0.00000000  0.00000000
    490.4250000  0.06806870  0.00000000  0.00000000  0.00000000
    143.8330000  0.23132800  0.00000000  0.00000000  0.00000000
     41.9265000  0.58589000  0.00000000  0.00000000  0.00000000
      6.1568400  0.30588300  0.00000000  0.00000000  0.00000000
     69.1211000  0.00000000  0.01191490  0.00000000  0.00000000
     15.8350000  0.00000000  0.91737500  0.00000000  0.00000000
      4.6732600  0.00000000 -0.00405839  0.00000000  0.00000000
      1.4575600  0.00000000  0.00000000  1.00000000  0.00000000
      0.3970570  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    5    3    0
     69.1211000  0.03565740  0.00000000  0.00000000
     15.8350000  0.23947700  0.00000000  0.00000000
      4.6732600  0.81846100  0.00000000  0.00000000
      1.4575600  0.00000000  1.00000000  0.00000000
      0.3970570  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    1    1    0
      2.3040000  1.00000000