The text file is also avilable here



# Permission to use the information contained in this document (the
# "Information") is granted without fee. The Information is a
# proprietary product of Oxford Molecular, Ltd., and
# all rights not specifically granted by this license shall remain
# in Oxford Molecular, Ltd.
#
# THE INFORMATION IS MADE AVAILABLE "AS IS", AND ALL EXPRESS AND
# IMPLIED WARRANTIES, INCLUDING THE IMPLIED WARRANTIES OF FITNESS
# FOR A PARTICULAR PURPOSE, MERCHANTABILITY, AND FREEDOM FROM
# VIOLATION OF THIRD PARTY INTELLECTUAL PROPERTY RIGHTS, ARE HEREBY
# DISCLAIMED AND EXCLUDED BY Oxford Molecular, Ltd.  Oxford Molecular,
# Ltd. WILL NOT BE LIABLE IN ANY EVENT FOR ANY CONSEQUENTIAL,
# SPECIAL, INCIDENTAL, OR INDIRECT DAMAGES ARISING OUT OF OR IN
# CONNECTION WITH THE INFORMATION OR ITS USE BY ANY PERSON, OR ANY
# FAILURE OR NEGLIGENCE ON THE PART OF Oxford Molecular, Ltd., EXCEPT
# FOR THE GROSS NEGLIGENCE OR WILLFUL MISCONDUCT OF Oxford Molecular.
#
# DGauss Version 4.0
#
# (C) Copyright 1996, 1997 Oxford Molecular, Ltd.
#
#
# DFT Gaussian basis sets:
# -----------------------
#
#  The DZVP, DZVP2 and TZVP orbital basis sets listed in this file are developed
#  specifically for DFT calculations. Their use is recommended as opposed to
#  using basis sets, such as Pople's 6-31G*, that are optimized for Hartree-Fock
#  calculations. To fit the charge density, the A1 basis set is recommended
#  for use with the DZVP orbital basis set, while the A2 set is recommended for
#  use with the DZVP2 or TZVP orbital basis sets. For references, see:
#
#  (1) N. Godbout, D.R. Salahub, J. Andzelm and E. Wimmer, Can. J. Chem. 70,
#      560 (1992);
#  (2) C. Sosa, J. Andzelm, B.C. Elkin, E. Wimmer, K.D. Dobbs and D.A. Dixon,
#      J. Phys. Chem. 96, 6630 (1992).
#
#
#                  Availability of the
#                      DZVP, etc.
#                  Gaussian Basis Sets
#
#      DZVP   DZVP2   TZVP     A1  A2        
# -------------------------------------------
#  H     x      x       x       x   x        
#  He    x      x               x   x        
#  Li    x      x               x            
#  Be    x      x               x            
#  B     x      x               x   x        
#  C     x      x       x       x   x        
#  N     x      x       x       x   x        
#  O     x      x       x       x   x        
#  F     x      x       x       x   x        
#  Ne    x                      x   x        
#  Na    x                      x            
#  Mg    x                      x            
#  Al    x      x       x       x            
#  Si    x      x       x       x            
#  P     x      x       x       x            
#  S     x      x       x       x            
#  Cl    x      x       x       x            
#  Ar    x      x       x       x            
#  K     x                      x            
#  Ca    x                      x            
#  Sc    x      x               x            
#  Ti    x      x               x            
#  V     x      x               x            
#  Cr    x      x               x            
#  Mn    x      x               x            
#  Fe    x      x               x            
#  Co    x      x               x            
#  Ni    x      x               x            
#  Cu    x      x               x            
#  Zn    x      x               x            
#  Ga    x                      x            
#  Ge    x                      x            
#  As    x                      x            
#  Se    x                      x          
#  Br    x                      x          
#  Kr    x                      x          
#  Rb    x                      x          
#  Sr    x                      x          
#  Y     x                      x          
#  Zr    x                      x          
#  Nb    x                      x          
#  Mo    x                      x          
#  Tc    x                      x          
#  Ru    x                      x          
#  Rh    x                      x          
#  Pd    x                      x          
#  Ag    x                      x          
#  Cd    x                      x          
#  In    x                      x          
#  Sn    x                      x          
#  Sb    x                      x          
#  Te    x                      x          
#  I     x                      x          
#  Xe    x                      x          
# ------------------------------------------------------------
#
#
#
# Hartree-Fock Gaussian basis sets:
# --------------------------------
#
#  Several standard basis sets for Hartree-Fock calculations are also listed
#  in this file. These were extracted from the EMSL Gaussian Basis Set Library
#  at the Pacific Northwest National Laboratory. For these orbital basis sets,
#  the P1 auxiliary basis set should be used to fit the charge density.
#
#  The URL for the EMSL Gaussian Basis Set Library is:
#
#  http://www.emsl.pnl.gov:2080/homepage.html
# 
#      STO-3G  3-21G(**)  6-31G(**)  6-311G(**)      P1
# ------------------------------------------------------------
#  H      x        x 	      x 	  x           x
#  HE     x        x 	      x 	  x           x
#  LI     x        x 	      x 	  x           x
#  BE     x        x 	      x 	  x           x
#  B      x        x 	      x 	  x           x
#  C      x        x 	      x 	  x           x
#  N      x        x 	      x 	  x           x
#  O      x        x 	      x 	  x           x
#  F      x        x 	      x 	  x           x
#  NE     x        x 	      x 	  x           x
#  NA  	  x        x 	      x 	  x           x
#  MG  	  x        x 	      x 	  x           x
#  AL     x        x 	      x 	  x           x
#  SI     x        x 	      x 	  x           x
#  P      x        x 	      x 	  x           x
#  S      x        x 	      x 	  x           x
#  CL     x        x 	      x 	  x           x
#  AR  	  x        x 	      x 	  x           x
# ------------------------------------------------------------
#
#
#
# DGauss 4.0 basis set format:
# ---------------------------
#
#  For DGauss 4.0, the following data format is used to list basis sets:
#
#
#
#  atom basis [format]
#
#  Nshells
#
#  l  Np  [Nc]  [scale=factor]
#
#  a column       one or more
#     of          columns of
#  primitive      contraction 
#  exponents      coefficients
#
#
#
#  All fields in square brackets are optional.
#
#  All data is listed in free format and read in a case-insensitive manner.
#
#  The first line lists atom, basis and format labels. The atom label must be
#  an atomic symbol from the periodic table. The format label must be either
#  "DGauss3.0" or "DGauss4.0". The default format is "DGauss4.0". However, any
#  basis set previously formatted for DGauss 3.0 can be read by adding it to
#  this file and designating its format to be "DGauss3.0".
#
#  The second line specifies the number of shells of contracted Gaussian-type
#  functions (GTF) in the basis set.
#
#  The third line specifies the angular momentum, l, and the number of primitive
#  GTF, Np, in the first shell. The angular momentum can be specified with
#  either integers or the conventional symbols:
#
#     l = 0, 1, 2, 3, 4, 5, 6, etc.
#         S, P, D, F, G, H, I
#
#  In addition, the symbols "SP" and "SPD" can be used to specify shells that
#  share primitive exponents between functions of s and p angular momentum
#  and between functions of s, p and d angular momentum, respectively.
#
#  In the case of general contractions, this line also specifies the number of
#  contractions, Nc, that will share the same set of primitive.
#
#  This line can also specify a scale factor for the primitive exponents. If a
#  factor is listed, all of the exponents will be scaled by the square of this
#  factor (i.e., exponent = exponent * factor**2).
#  
#  Following the third line, the primitive exponents and contraction
#  coefficients of the first shell are listed in columns. The exponents are
#  listed in the first column followed by the coefficients. The number of
#  columns of coefficients varies with the type of shell. A single column of
#  coefficients should be listed for segmented contractions, while Nc columns
#  should be listed for general contractions. For "SP" or "SPD" shells, the
#  coefficients for the s-functions should be listed in the second column,
#  followed by those for the p-functions, etc. If the shell is comprised of
#  just one primitive, then no coefficients need be listed.
#
#  Returning to the third line, this format is repeated for each subsequent
#  shell of the basis set.
#
#  Comments lines begin with the symbol "#" and can placed anywhere but
#  immediately before or between rows of exponents and coefficients.
#
#  Blank lines are simply skipped.
#
################################################################################
#
#
#
#                         DZVP
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  DZVP DGauss4.0 

     2 shells

     S   4 
       50.99917800        0.00966048 
        7.48321810        0.07372886 
        1.77746760        0.29585808 
        0.51932952        0.71590532 

     S   1 
        0.15411000 

 He DZVP DGauss4.0 

     2 shells

     S   5 
       33.26196600        0.02086577 
        7.56165490        0.09705884 
      221.38803000        0.00274910 
        2.08559900        0.28072885 
        0.61433916        0.47422183 

     S   1 
        0.18292120 

 Li DZVP DGauss4.0 

     5 shells

     S   6 
      605.70539000       -0.00228702 
       90.86090700       -0.01745280 
       20.63127100       -0.08369702 
        5.73844620       -0.25974846 
        1.75152610       -0.47946131 
        0.54639013       -0.32330063 

     S   2 
        0.84272334        0.07486092 
        0.06744833       -0.65464898 

     S   1 
        0.02537332 

     P   1 
        0.07730000 

     D   1 
        0.12200000 

 Be DZVP DGauss4.0 

     5 shells

     S   6 
     1203.41410000        0.00205043 
      180.24571000        0.01570777 
       40.80005400        0.07683153 
       11.33653800        0.24802524 
        3.50348300        0.47984522 
        1.10912160        0.33714592 

     S   2 
        1.95934200       -0.07504554 
        0.16520127        0.58135568 

     S   1 
        0.05522077 

     P   1 
        0.16650000 

     D   1 
        0.27800000 

 B  DZVP DGauss4.0 

     6 shells

     S   6 
     1915.16660000       -0.00203952 
      287.18311000       -0.01559658 
       65.15717600       -0.07624424 
       18.19582700       -0.24792436 
        5.70153790       -0.47908229 
        1.84383750       -0.33529529 

     S   2 
        3.49143040        0.07742236 
        0.30505599       -0.57412387 

     S   1 
        0.09648650 

     P   4 
       11.68741700        0.01508612 
        2.63077550        0.08881570 
        0.74422685        0.29036823 
        0.23047606        0.49944329 

     P   1 
        0.06993805 

     D   1 
        0.40000000 

 C  DZVP DGauss4.0 

     6 shells

     S   6 
     2808.06450000        0.00201783 
      421.13828000        0.01543320 
       95.58661600        0.07558155 
       26.73900400        0.24782820 
        8.43282680        0.47937250 
        2.76058210        0.33383438 

     S   2 
        5.44700450       -0.07784077 
        0.47924220        0.56895599 

     S   1 
        0.14615653 

     P   4 
       18.13085200        0.01585473 
        4.09988320        0.09568277 
        1.18583700        0.30491191 
        0.36859740        0.49350165 

     P   1 
        0.10971999 

     D   1 
        0.60000000 

 N  DZVP DGauss4.0 

     6 shells

     S   6 
     3845.41490000        0.00201861 
      577.53323000        0.01540776 
      131.31983000        0.07537140 
       36.82378100        0.24821224 
       11.67011500        0.47982741 
        3.85426040        0.33180123 

     S   2 
        7.82956110       -0.07766687 
        0.68773512        0.56545976 

     S   1 
        0.20403880 

     P   4 
       26.80984100        0.01546630 
        6.06815400        0.09643968 
        1.76762560        0.30836096 
        0.54667274        0.49115973 

     P   1 
        0.15872887 

     D   1 
        0.70000000 

 O  DZVP DGauss4.0 

     6 shells

     S   6 
     5222.90220000       -0.00193637 
      782.53994000       -0.01485067 
      177.26743000       -0.07331870 
       49.51668800       -0.24511623 
       15.66644000       -0.48028470 
        5.17935990       -0.33594265 

     S   2 
       10.60144100        0.07880582 
        0.94231705       -0.56769520 

     S   1 
        0.27747457 

     P   4 
       33.42412600        0.01756033 
        7.62217140        0.10763003 
        2.23820930        0.32352555 
        0.68673001        0.48322291 

     P   1 
        0.19381352 

     D   1 
        0.80000000 

 F  DZVP DGauss4.0 

     6 shells

     S   6 
     6384.71440000       -0.00203016 
      958.88652000       -0.01549810 
      218.19010000       -0.07577869 
       61.36473100       -0.25027235 
       19.60289600       -0.48010865 
        6.56488340       -0.32716138 

     S   2 
       13.81069400        0.07907067 
        1.22986650       -0.56812155 

     S   1 
        0.35847132 

     P   4 
       42.46991100        0.01831704 
        9.71388110        0.11245129 
        2.86403860        0.32977705 
        0.87460544        0.47997719 

     P   1 
        0.24250706 

     D   1 
        1.00000000 

 Ne DZVP DGauss4.0 

     6 shells

     S   6 
     7883.82610000        0.00203748 
     1184.40550000        0.01554681 
      269.67309000        0.07596377 
       75.94165200        0.25110270 
       24.32109500        0.48047649 
        8.18325590        0.32511421 

     S   2 
       17.44952400       -0.07900996 
        1.55163160        0.56762735 

     S   1 
        0.44769855 

     P   4 
       52.90380800        0.01879106 
       12.12336100        0.11576054 
        3.58592250        0.33426270 
        1.09216340        0.47780383 

     P   1 
        0.29944190 

     D   1 
        1.20000000 

 Na DZVP DGauss4.0 

     8 shells

     S   6 
     9911.99600000        0.00195046 
     1487.45550000        0.01491712 
      337.95385000        0.07341658 
       94.91394500        0.24569098 
       30.34149900        0.47956110 
       10.19083900        0.33372124 

     S   3 
       21.22964800        0.08230288 
        1.98041760       -0.56084799 
        0.61888241       -0.52243777 

     S   2 
        0.69917380        0.09209755 
        0.06182705       -0.67082518 

     S   1 
        0.02372741 

     P   4 
       73.08531500        0.01671763 
       16.86456300        0.10653949 
        5.05539130        0.32422173 
        1.59202070        0.48913626 

     P   1 
        0.47026897 

     P   1 
        0.06470000 

     D   1 
        0.11690000 

 Mg DZVP DGauss4.0 

     8 shells

     S   6 
    12436.67500000       -0.00183332 
     1862.22320000       -0.01408281 
      421.37452000       -0.07009562 
      117.69304000       -0.23877178 
       37.43145300       -0.47873770 
       12.50548900       -0.34477729 

     S   3 
       25.45140000        0.08521397 
        2.45287650       -0.56469158 
        0.80513336       -0.51572746 

     S   2 
        1.08200760       -0.11133336 
        0.10833402        0.64814522 

     S   1 
        0.03990735 

     P   4 
       92.46322200        0.01627157 
       21.50176900        0.10456299 
        6.53744230        0.32243282 
        2.11808080        0.49403987 

     P   1 
        0.65831475 

     P   1 
        0.10610000 

     D   1 
        0.18700000 

 Al DZVP DGauss4.0 

     8 shells

     S   6 
    14724.45100000        0.00181820 
     2205.46340000        0.01395805 
      499.30207000        0.06950092 
      139.59014000        0.23710615 
       44.49227700        0.47761042 
       14.90569100        0.34763394 

     S   3 
       30.07506500       -0.08788512 
        2.98383280        0.56773706 
        1.02098990        0.51050084 

     S   2 
        1.49277920        0.13414237 
        0.16922909       -0.66567577 

     S   1 
        0.06174491 

     P   5 
      127.91613000        0.01330242 
       29.77677800        0.08967096 
        9.09173840        0.29813081 
        3.00098650        0.49626277 
        0.96955844        0.33014499 

     P   2 
        0.37560009        0.20509818 
        0.12509894        0.55181017 

     P   1 
        0.04173981 

     D   1 
        0.30000000 

 Si DZVP DGauss4.0 

     8 shells

     S   6 
    17268.57700000       -0.00179739 
     2586.65090000       -0.01379704 
      585.63641000       -0.06878072 
      163.77364000       -0.23525082 
       52.26702800       -0.47661939 
       17.54168100       -0.35077258 

     S   3 
       35.12413900        0.09021370 
        3.56542270       -0.57225484 
        1.25914740       -0.50455370 

     S   2 
        1.94701440       -0.15083523 
        0.23675727        0.67455938 

     S   1 
        0.08589664 

     P   5 
      159.68174000       -0.01239320 
       37.25817200       -0.08508004 
       11.43825300       -0.29055128 
        3.82783360       -0.49855881 
        1.26790030       -0.33256239 

     P   2 
        0.53440948       -0.22643694 
        0.18290312       -0.55530346 

     P   1 
        0.06178726 

     D   1 
        0.45000000 

 P  DZVP DGauss4.0 

     8 shells

     S   6 
    20024.93600000       -0.00177872 
     2999.44100000       -0.01365406 
      679.08680000       -0.06814415 
      189.94389000       -0.23361371 
       60.68347700       -0.47574011 
       20.39822500       -0.35354700 

     S   3 
       40.59416300       -0.09224272 
        4.19721960        0.57746769 
        1.51929550        0.49837731 

     S   2 
        2.44585870        0.16316950 
        0.31161584       -0.67871742 

     S   1 
        0.11201013 

     P   5 
      195.39937000       -0.01162982 
       45.66674900       -0.08114132 
       14.07306700       -0.28377064 
        4.75724270       -0.50040741 
        1.60350650       -0.33577576 

     P   2 
        0.70394318       -0.24716972 
        0.24511446       -0.55520247 

     P   1 
        0.08313240 

     D   1 
        0.55000000 

 S  DZVP DGauss4.0 

     8 shells

     S   6 
    23050.06700000       -0.00175665 
     3451.86630000       -0.01348938 
      781.27867000       -0.06743249 
      218.47653000       -0.23186041 
       69.83263200       -0.47494165 
       23.49479800       -0.35649923 

     S   3 
       46.48237700       -0.09404217 
        4.88074880        0.58288815 
        1.80147580        0.49232621 

     S   2 
        2.97780390        0.17315531 
        0.39425100       -0.68543633 

     S   1 
        0.14170276 

     P   5 
      231.33126000        0.01127891 
       54.14616400        0.07942569 
       16.75761800        0.28087994 
        5.71931970        0.50201898 
        1.95603510        0.33441462 

     P   2 
        0.89559123        0.26468112 
        0.30942270        0.54961272 

     P   1 
        0.10211569 

     D   1 
        0.65000000 

 Cl DZVP DGauss4.0 

     8 shells

     S   6 
    26351.45800000        0.00173243 
     3945.05670000        0.01331094 
      892.43835000        0.06667483 
      249.41743000        0.23005057 
       79.72157200        0.47423069 
       26.83114500        0.35952399 

     S   3 
       52.78530100       -0.09562959 
        5.61564290        0.58808403 
        2.10590760        0.48669823 

     S   2 
        3.55861490        0.18068912 
        0.48479807       -0.68848287 

     S   1 
        0.17333098 

     P   5 
      271.07821000       -0.01092567 
       63.54720800       -0.07759091 
       19.73710900       -0.27751585 
        6.78899370       -0.50319331 
        2.34803030       -0.33484259 

     P   2 
        1.10668640       -0.27653812 
        0.38296804       -0.54667677 

     P   1 
        0.12511330 

     D   1 
        0.75000000 

 Ar DZVP DGauss4.0 

     8 shells

     S   6 
    29505.77400000       -0.00173750 
     4419.21620000       -0.01333809 
     1000.57700000       -0.06672491 
      280.03798000       -0.22988867 
       89.71208200       -0.47357444 
       30.27987800       -0.35991597 

     S   3 
       59.51440600        0.09702574 
        6.39977790       -0.59339868 
        2.43147090       -0.48108045 

     S   2 
        4.18753570       -0.18640004 
        0.58325618        0.68956894 

     S   1 
        0.20710806 

     P   5 
      313.02176000        0.01067530 
       73.48723100        0.07630953 
       22.89798800        0.27512704 
        7.93221480        0.50407192 
        2.77026960        0.33462710 

     P   2 
        1.33189530        0.28770004 
        0.46186147        0.54475270 

     P   1 
        0.15021942 

     D   1 
        0.85000000 

 K  DZVP DGauss4.0 

    10 shells

     S   6 
    33078.64800000        0.00172668 
     4954.90240000        0.01325142 
     1122.13080000        0.06631423 
      314.20807000        0.22867243 
      100.77629000        0.47266980 
       34.06134800        0.36214165 

     S   3 
       66.60293100       -0.09845066 
        7.26445630        0.59416193 
        2.80367870        0.47991392 

     S   3 
        4.83243900        0.19727087 
        0.70581885       -0.69564730 
        0.26975199       -0.42287812 

     S   2 
        0.35335352       -0.12467830 
        0.04209163        0.73836333 

     S   1 
        0.01744848 

     P   5 
      367.51146000       -0.01003332 
       86.26085800       -0.07273484 
       26.89796800       -0.26790433 
        9.35412480       -0.50383667 
        3.29205810       -0.34262241 

     P   2 
        1.62091890       -0.29527218 
        0.58724934       -0.55635660 

     P   1 
        0.20469413 

     P   1 
        0.04080000 

     D   1 
        0.07410000 

 Ca DZVP DGauss4.0 

    11 shells

     S   6 
    36930.00900000        0.00171282 
     5531.70970000        0.01314486 
     1252.74140000        0.06583591 
      350.81485000        0.22736058 
      112.59658000        0.47184691 
       38.08879300        0.36449950 

     S   3 
       74.11647000       -0.09974357 
        8.18437380        0.59521126 
        3.20036840        0.47859932 

     S   3 
        5.52832780        0.20718525 
        0.83789520       -0.71058044 
        0.33303329       -0.41099171 

     S   2 
        0.50885978       -0.15455107 
        0.06602438        0.72416432 

     S   1 
        0.02685895 

     P   5 
      421.34592000       -0.00968653 
       98.97598900       -0.07075994 
       30.92869800       -0.26365926 
       10.81166100       -0.50336508 
        3.83798000       -0.34663083 

     P   2 
        1.92760190       -0.30269803 
        0.72568230       -0.55916276 

     P   1 
        0.26598628 

     P   1 
        0.05810000 

     D   4 
        7.20311461        0.05694776 
        1.89880742        0.19125184 
        0.59249736        0.29123018 
        0.18403881        0.29468694 

     D   1 
        0.05570443 

 Sc DZVP DGauss4.0 

    10 shells

     S   6 
    40355.90900000        0.00173331 
     6050.51540000        0.01327886 
     1372.47650000        0.06630408 
      385.24704000        0.22810442 
      124.03194000        0.47136569 
       42.11942300        0.36337636 

     S   3 
       82.15869800       -0.10081755 
        9.13498380        0.60057601 
        3.60008560        0.47318604 

     S   3 
        6.31097380        0.20966180 
        0.96549478       -0.70888477 
        0.37893515       -0.41495890 

     S   2 
        0.53398656       -0.15187664 
        0.07369860        0.70297406 

     S   1 
        0.02872046 

     P   5 
      483.11966000        0.00927161 
      113.24773000        0.06863495 
       35.35725400        0.25997164 
       12.37920400        0.50433572 
        4.41037250        0.34958900 

     P   3 
        2.22423780        0.31023152 
        0.83389916        0.55513982 
        0.30345079        0.26173534 

     P   1 
        0.07650000 

     D   4 
       10.66290300        0.06447518 
        2.71962190        0.26369057 
        0.76770852        0.47189547 
        0.18863365        0.54521499 

     D   1 
        0.03600000 

 Ti DZVP DGauss4.0 

    10 shells

     S   6 
    44446.89600000       -0.00172760 
     6664.41460000       -0.01323294 
     1511.98650000       -0.06608372 
      424.55078000       -0.22746908 
      136.80023000       -0.47087553 
       46.51453500       -0.36449013 

     S   3 
       90.60494200       -0.10181263 
       10.14685800        0.60429921 
        4.02771640        0.46944503 

     S   3 
        7.12703760       -0.21271456 
        1.10314030        0.71041177 
        0.43244951        0.41533071 

     S   2 
        0.61557515       -0.15265739 
        0.08585807        0.66103502 

     S   1 
        0.03310329 

     P   5 
      537.66903000        0.00920800 
      126.36414000        0.06818675 
       39.57137900        0.25913240 
       13.92175000        0.50463902 
        4.99168060        0.34877872 

     P   3 
        2.54789080        0.31521968 
        0.95979351        0.55340101 
        0.35020635        0.25775434 

     P   1 
        0.08550000 

     D   4 
       13.52001600       -0.06241371 
        3.50745230       -0.26480159 
        1.02209480       -0.47976999 
        0.26278615       -0.52405575 

     D   1 
        0.05100000 

 V  DZVP DGauss4.0 

    10 shells

     S   6 
    49145.25800000       -0.00170486 
     7366.10090000       -0.01306855 
     1669.95980000       -0.06540437 
      468.43959000       -0.22592856 
      150.82100000       -0.47044029 
       51.25277600       -0.36702733 

     S   3 
       99.48018000       -0.10271694 
       11.21326400        0.60769802 
        4.47782520        0.46607312 

     S   3 
        7.99133500       -0.21478088 
        1.24681580        0.71090444 
        0.48739336        0.41627090 

     S   2 
        0.69088903       -0.14902598 
        0.09698655        0.63308966 

     S   1 
        0.03676398 

     P   5 
      595.12707000       -0.00915891 
      140.00397000       -0.06796566 
       43.94137700       -0.25889917 
       15.52695200       -0.50501160 
        5.59921580       -0.34734433 

     P   3 
        2.88927230       -0.31914860 
        1.09088840       -0.55183655 
        0.39812973       -0.25524257 

     P   1 
        0.09510000 

     D   4 
       16.22047300       -0.06163865 
        4.25474240       -0.26686077 
        1.26177140       -0.48444431 
        0.33151450       -0.51113551 

     D   1 
        0.06400000 

 Cr DZVP DGauss4.0 

    10 shells

     S   6 
    52778.74500000        0.00173538 
     7918.30170000        0.01327752 
     1798.48710000        0.06619055 
      505.92005000        0.22738481 
      163.50058000        0.47007283 
       55.81763400        0.36476534 

     S   3 
      108.80412000        0.10351710 
       12.32738700       -0.61151690 
        4.94622950       -0.46230659 

     S   3 
        8.90204460        0.21619006 
        1.39669760       -0.71092027 
        0.54401415       -0.41735879 

     S   2 
        0.77736615        0.14687214 
        0.10703581       -0.61484955 

     S   1 
        0.03990767 

     P   5 
      661.71204000       -0.00898941 
      155.31302000       -0.06727679 
       48.74308000       -0.25797560 
       17.26608300       -0.50557997 
        6.25076520       -0.34714143 

     P   3 
        3.25048650       -0.32202079 
        1.22840880       -0.55047775 
        0.44784370       -0.25390239 

     P   1 
        0.10510000 

     D   4 
       18.83297300       -0.06170396 
        4.97912030       -0.27010797 
        1.49186960       -0.48809885 
        0.39585125       -0.50111055 

     D   1 
        0.07500000 

 Mn DZVP DGauss4.0 

    10 shells

     S   6 
    58745.69200000        0.00168349 
     8803.03930000        0.01291031 
     1994.93300000        0.06472259 
      559.35363000        0.22426573 
      180.12270000        0.46969494 
       61.26213400        0.36980486 

     S   3 
      118.52803000        0.10427704 
       13.50494600       -0.61400012 
        5.44318340       -0.45989715 

     S   3 
        9.85695530        0.21755469 
        1.55521630       -0.71088593 
        0.60461780       -0.41837028 

     S   2 
        0.86296550        0.14376106 
        0.11671877       -0.60090083 

     S   1 
        0.04285910 

     P   5 
      740.92768000       -0.00864199 
      173.91313000       -0.06522488 
       54.51849100       -0.25404174 
       19.30041400       -0.50615193 
        6.98930980       -0.35142320 

     P   3 
        3.63261960       -0.32483587 
        1.37382970       -0.54964146 
        0.50142895       -0.25172730 

     P   1 
        0.11290000 

     D   4 
       21.25795800        0.06302754 
        5.65799460        0.27540605 
        1.70294550        0.49168449 
        0.45188689        0.49148305 

     D   1 
        0.08200000 

 Fe DZVP DGauss4.0 

    10 shells

     S   6 
    61430.22700000        0.00175588 
     9222.17600000        0.01341692 
     2097.59690000        0.06669545 
      591.49040000        0.22820507 
      191.86062000        0.46944994 
       65.82632800        0.36355687 

     S   3 
      128.74074000       -0.10491683 
       14.71813300        0.61796194 
        5.95075430        0.45600933 

     S   3 
       10.85987900        0.21849165 
        1.71944710       -0.71133102 
        0.66645315       -0.41869468 

     S   2 
        0.97547614       -0.14410538 
        0.12311432        0.59581339 

     S   1 
        0.04487950 

     P   5 
      780.62030000       -0.00912168 
      184.00622000       -0.06800399 
       58.08446700       -0.25976807 
       20.75979500       -0.50601385 
        7.59345150       -0.34190824 

     P   3 
        4.02791730       -0.32729618 
        1.52647000       -0.54814998 
        0.55737016       -0.25066287 

     P   1 
        0.12100000 

     D   4 
       23.92931600       -0.06349209 
        6.39990130       -0.27839134 
        1.93174170       -0.49381955 
        0.51152789       -0.48626945 

     D   1 
        0.09000000 

 Co DZVP DGauss4.0 

    10 shells

     S   6 
    67981.04200000       -0.00170238 
    10193.42800000       -0.01303862 
     2313.18140000       -0.06518800 
      650.07779000       -0.22502897 
      210.06015000       -0.46914571 
       71.77449800       -0.36865863 

     S   3 
      139.32221000        0.10555778 
       16.00278600       -0.62009544 
        6.49193530       -0.45397250 

     S   3 
       11.91039400       -0.21912727 
        1.89041050        0.71142009 
        0.73022776        0.41922483 

     S   2 
        1.05860200        0.13928931 
        0.13009048       -0.58643150 

     S   1 
        0.04685301 

     P   5 
      852.79139000       -0.00902657 
      201.06964000       -0.06750984 
       63.52134500       -0.25902515 
       22.74864900       -0.50639189 
        8.34277550       -0.34185211 

     P   3 
        4.44760870       -0.32895347 
        1.68587800       -0.54729942 
        0.61512086       -0.25001626 

     P   1 
        0.12660000 

     D   4 
       26.53246900       -0.06447590 
        7.12589450       -0.28236592 
        2.15476730       -0.49565362 
        0.56885998       -0.48065195 

     D   1 
        0.09700000 

 Ni DZVP DGauss4.0 

    10 shells

     S   6 
    72509.04200000       -0.00172075 
    10879.17600000       -0.01316375 
     2471.64600000       -0.06565671 
      695.82606000       -0.22590269 
      225.37504000       -0.46891569 
       77.24015800       -0.36728407 

     S   3 
      150.36412000        0.10612155 
       17.33109200       -0.62289972 
        7.04885550       -0.45126310 

     S   3 
       13.00639600       -0.21955898 
        2.06828210        0.71117415 
        0.79634338        0.41996867 

     S   2 
        1.14076120        0.13450418 
        0.13649558       -0.57911795 

     S   1 
        0.04864015 

     P   5 
      925.37823000        0.00898080 
      218.37918000        0.06725683 
       69.07589400        0.25871992 
       24.79418600        0.50670798 
        9.11772700        0.34125309 

     P   3 
        4.88655560        0.33026536 
        1.85205680        0.54657530 
        0.67489048        0.24968217 

     P   1 
        0.13510000 

     D   4 
       29.22965900       -0.06539529 
        7.87891450       -0.28601297 
        2.38611600       -0.49715644 
        0.62824374       -0.47563686 

     D   1 
        0.10400000 

 Cu DZVP DGauss4.0 

    10 shells

     S   6 
    80289.62000000       -0.00165622 
    12027.33800000       -0.01270925 
     2724.25750000       -0.06385176 
      763.56173000       -0.22211535 
      246.06459000       -0.46860492 
       83.86836300       -0.37337930 

     S   3 
      161.79726000        0.10667589 
       18.72537500       -0.62459431 
        7.63641650       -0.44967238 

     S   3 
       14.15082900       -0.21980770 
        2.25283040        0.71087602 
        0.86448861        0.42065715 

     S   2 
        1.22309630        0.13031688 
        0.14297710       -0.57086009 

     S   1 
        0.05046034 

     P   5 
     1002.97450000        0.00891431 
      236.62530000        0.06697043 
       74.89232100        0.25841474 
       26.93125200        0.50706202 
        9.92677590        0.34075115 

     P   3 
        5.34466480        0.33137451 
        2.02474800        0.54598708 
        0.73663308        0.24947671 

     P   1 
        0.14100000 

     D   4 
       31.81266700       -0.06688914 
        8.60587160       -0.29074008 
        2.60934110       -0.49841945 
        0.68521349       -0.46972514 

     D   1 
        0.11000000 

 Zn DZVP DGauss4.0 

    10 shells

     S   6 
    82904.22000000       -0.00173132 
    12444.23200000       -0.01323284 
     2829.85290000       -0.06589008 
      797.89288000       -0.22619884 
      259.06473000       -0.46839115 
       89.07951200       -0.36691557 

     S   3 
      173.68172000       -0.10716236 
       20.16649700        0.62649824 
        8.24708190        0.44782060 

     S   3 
       15.31658400       -0.22123747 
        2.45574930        0.70919114 
        0.95487774        0.42241465 

     S   2 
        1.41000340       -0.14046519 
        0.16934407        0.60127450 

     S   1 
        0.05922100 

     P   5 
     1085.17850000        0.00882603 
      256.18093000        0.06644549 
       81.14025300        0.25742462 
       29.22252000        0.50714550 
       10.79369500        0.34143564 

     P   3 
        5.84129040        0.33121254 
        2.22636600        0.54637606 
        0.82116401        0.24681443 

     P   1 
        0.16900000 

     D   4 
       38.09346700       -0.06069664 
       10.42375600       -0.27605004 
        3.25325210       -0.49826379 
        0.90975287       -0.46898980 

     D   1 
        0.17200000 

 Ga DZVP DGauss4.0 

    11 shells

     S   6 
    88374.04500000        0.00173581 
    13268.90500000        0.01326053 
     3018.79410000        0.06597594 
      851.78841000        0.22626583 
      276.87619000        0.46810109 
       95.34532400        0.36688218 

     S   3 
      185.96030000       -0.10764533 
       21.67074900        0.62772653 
        8.88938940        0.44663790 

     S   3 
       16.53362600        0.22265954 
        2.66660230       -0.70817740 
        1.05154140       -0.42338458 

     S   2 
        1.56254650       -0.15772527 
        0.20761147        0.63911785 

     S   1 
        0.07354389 

     P   5 
     1163.19550000       -0.00884074 
      274.89727000       -0.06650623 
       87.25598900       -0.25736021 
       31.53486400       -0.50652975 
       11.70061100       -0.34114499 

     P   3 
        6.38766730       -0.32781640 
        2.46670220       -0.54244222 
        0.93619401       -0.25055938 

     P   2 
        0.38127270       -0.21248639 
        0.12550959       -0.55175482 

     P   1 
        0.04107166 

     D   4 
       38.05827200       -0.07003584 
       10.36152200       -0.30525740 
        3.16035230       -0.51672604 
        0.84771945       -0.42780520 

     D   1 
        0.16200000 

 Ge DZVP DGauss4.0 

    11 shells

     S   6 
   100666.23000000       -0.00160058 
    15061.97300000       -0.01230941 
     3404.19460000       -0.06220617 
      951.21698000       -0.21834364 
      305.64810000       -0.46753751 
      103.88138000       -0.37971324 

     S   3 
      198.54803000       -0.10816694 
       23.26486500        0.62661300 
        9.58350040        0.44778998 

     S   3 
       17.78910200       -0.22474438 
        2.88957350        0.70960977 
        1.16092590        0.42198273 

     S   2 
        1.78408380       -0.17767657 
        0.25387404        0.66761280 

     S   1 
        0.09219809 

     P   5 
     1316.93060000        0.00804888 
      310.76532000        0.06160663 
       98.04171600        0.24688944 
       35.14999100        0.50664835 
       12.94924700        0.35571048 

     P   3 
        6.94761470        0.32776485 
        2.70378890        0.54289766 
        1.04848090        0.24668856 

     P   2 
        0.44171254        0.25576960 
        0.16060936        0.53783289 

     P   1 
        0.05740758 

     D   4 
       43.66375100        0.06646479 
       11.97921000        0.29829687 
        3.72278640        0.52032598 
        1.04237150        0.42028936 

     D   1 
        0.21800000 

 As DZVP DGauss4.0 

    11 shells

     S   6 
   107365.86000000       -0.00159572 
    16064.05300000       -0.01227220 
     3630.65180000       -0.06203620 
     1014.52830000       -0.21786565 
      326.07429000       -0.46721078 
      110.86519000       -0.38057830 

     S   3 
      211.62924000       -0.10860483 
       24.88731200        0.62711795 
       10.28619000        0.44730107 

     S   3 
       19.09051400       -0.22701131 
        3.12028380        0.71378232 
        1.27513510        0.41802476 

     S   2 
        2.02023070       -0.19448639 
        0.30320856        0.68715012 

     S   1 
        0.11132560 

     P   5 
     1416.24090000        0.00795613 
      334.27920000        0.06103729 
      105.52400000        0.24549262 
       37.88714000        0.50625538 
       13.98761200        0.35733748 

     P   3 
        7.52934580       -0.32758036 
        2.96102690       -0.54296514 
        1.17062320       -0.24337570 

     P   2 
        0.19623058       -0.54879515 
        0.52522095       -0.27959734 

     P   1 
        0.07047475 

     D   4 
       49.42882000        0.06367440 
       13.64811400        0.29272502 
        4.30529590        0.52334169 
        1.24664460        0.41420438 

     D   1 
        0.27300000 

 Se DZVP DGauss4.0 

    11 shells

     S   6 
   114288.76000000       -0.00159104 
    17099.74000000       -0.01223620 
     3864.67620000       -0.06187227 
     1079.95320000       -0.21740275 
      347.18530000       -0.46689167 
      118.08358000       -0.38142019 

     S   3 
      225.12776000       -0.10902018 
       26.56506800        0.62756293 
       11.01558300        0.44686605 

     S   3 
       20.43701600       -0.22942094 
        3.36049730        0.71970399 
        1.39405050        0.41254176 

     S   2 
        2.26452780       -0.20832194 
        0.35443571        0.70415153 

     S   1 
        0.13190644 

     P   5 
     1519.28300000        0.00786848 
      358.72461000        0.06048662 
      113.31008000        0.24410706 
       40.73758100        0.50586028 
       15.06974600        0.35897367 

     P   3 
        8.12948940        0.32820518 
        3.22743270        0.54386747 
        1.29509820        0.23880119 

     P   2 
        0.61261977        0.30877928 
        0.22722674        0.54470871 

     P   1 
        0.08062477 

     D   4 
       55.37210800        0.06143615 
       15.37296300        0.28821940 
        4.90922880        0.52597966 
        1.46024160        0.40904994 

     D   1 
        0.32100000 

 Br DZVP DGauss4.0 

    11 shells

     S   6 
   115354.10000000        0.00168938 
    17308.39000000        0.01292185 
     3932.85340000        0.06455661 
     1107.77230000        0.22287210 
      359.63336000        0.46683365 
      123.69988000        0.37268697 

     S   3 
      239.12180000        0.10936399 
       28.26812700       -0.62943771 
       11.75056600       -0.44498708 

     S   3 
       21.82996400        0.23187339 
        3.60882570       -0.72724571 
        1.51648650       -0.40558656 

     S   2 
        2.52093670        0.22026256 
        0.40934146       -0.71631213 

     S   1 
        0.15309526 

     P   5 
     1580.37390000        0.00817572 
      373.09755000        0.06255250 
      118.35233000        0.24847446 
       42.85895500        0.50541372 
       15.97787400        0.35234428 

     P   3 
        8.75332750        0.32835036 
        3.51603350        0.54379910 
        1.43073780        0.23578590 

     P   2 
        0.70915076       -0.32441623 
        0.26568349       -0.53954163 

     P   1 
        0.09439950 

     D   4 
       61.51441400        0.05957768 
       17.16198300        0.28437807 
        5.53847060        0.52818558 
        1.68481660        0.40477237 

     D   1 
        0.36200000 

 Kr DZVP DGauss4.0 

    11 shells

     S   6 
   121095.87000000       -0.00170621 
    18179.49900000       -0.01303719 
     4135.02440000       -0.06499149 
     1166.56060000       -0.22366779 
      379.52584000       -0.46658390 
      130.87605000       -0.37150060 

     S   3 
      253.48193000        0.10972648 
       30.04623200       -0.63018005 
       12.52578900       -0.44424484 

     S   3 
       23.26909800       -0.23436072 
        3.86788750        0.73518935 
        1.64368020        0.39837979 

     S   2 
        2.79045650        0.23057668 
        0.46764855       -0.72494652 

     S   1 
        0.17508989 

     P   5 
     1659.88440000       -0.00831948 
      392.52006000       -0.06339406 
      124.89496000       -0.25001951 
       45.42858900       -0.50492661 
       17.01620900       -0.34979567 

     P   3 
        9.39873930       -0.32901416 
        3.81506190       -0.54381782 
        1.57176670       -0.23245679 

     P   2 
        0.81017450        0.33733383 
        0.30647467        0.53529313 

     P   1 
        0.10935396 

     D   4 
       67.81939900        0.05807190 
       19.00354100        0.28127746 
        6.18903150        0.53010521 
        1.91929950        0.40085328 

     D   1 
        0.40200000 

 Rb DZVP DGauss4.0 

    13 shells

     S   6 
   131515.06000000       -0.00164993 
    19719.21700000       -0.01263719 
     4474.30400000       -0.06338424 
     1257.75080000       -0.22010846 
      139.81533000       -0.37747997 
      407.51700000       -0.46593215 

     S   3 
      267.84558000        0.11022853 
       32.00259900       -0.62605580 
       13.41194600       -0.44841621 

     S   3 
       24.68546100       -0.23786791 
        4.17669120        0.73124139 
        1.80933560        0.40378989 

     S   3 
        3.03795360        0.24708081 
        0.54666656       -0.72794531 
        0.22100436       -0.41950152 

     S   2 
        0.30079901       -0.14763915 
        0.03774793        0.76435708 

     S   1 
        0.01598400 

     P   5 
     1813.89280000        0.00791104 
      428.15812000        0.06090813 
      135.84109000        0.24442326 
       49.25288200        0.50442214 
       18.40875300        0.35775045 

     P   3 
       10.10238300        0.32762152 
        4.15214220        0.54185074 
        1.74137790        0.23299814 

     P   2 
        0.94123369       -0.34597006 
        0.37909037       -0.54081540 

     P   1 
        0.14350018 

     P   1 
        0.03580000 

     D   5 
      130.85515000        0.02027372 
       37.95294400        0.12666242 
       13.46733800        0.35776857 
        4.94247520        0.49204493 
        1.70833140        0.27985076 

     D   1 
        0.06000000 

 Sr DZVP DGauss4.0 

    14 shells

     S   6 
   139600.84000000       -0.00163783 
    20926.65900000       -0.01254988 
     4746.22760000       -0.06302377 
     1333.31110000       -0.21929393 
      431.68069000       -0.46579144 
      148.00238000       -0.37876578 

     S   3 
      283.06519000       -0.11056330 
       33.89344500        0.62673295 
       14.24983300        0.44769675 

     S   3 
       26.23897900       -0.24018346 
        4.45407780        0.74071444 
        1.94837340        0.39499938 

     S   3 
        3.31181170       -0.26237863 
        0.62127798        0.75298030 
        0.26072109        0.40203210 

     S   2 
        0.39263117       -0.17315449 
        0.05652421        0.74828075 

     S   1 
        0.02373957 

     P   5 
     1927.61250000        0.00785388 
      455.11466000        0.06056191 
      144.47812000        0.24348583 
       52.46280200        0.50396506 
       19.65178500        0.35888527 

     P   3 
       10.77580000       -0.33047704 
        4.46204210       -0.54191466 
        1.89430820       -0.22773868 

     P   2 
        1.05242250        0.37238697 
        0.44024904        0.53487950 

     P   1 
        0.17565030 

     P   1 
        0.04630000 

     D   5 
      143.12708000        0.01965120 
       41.62180400        0.12414182 
       14.83673500        0.35542701 
        5.49566550        0.49384185 
        1.93027760        0.27742543 

     D   3 
        0.91409507       -0.21602490 
        0.34593786       -0.27058493 
        0.12241883       -0.51606138 

     D   1 
        0.07800000 

 Y  DZVP DGauss4.0 

    14 shells

     S   6 
   147196.99000000        0.00163637 
    22066.57400000        0.01253717 
     5005.38940000        0.06295515 
     1406.38600000        0.21906558 
      455.53662000        0.46550185 
      156.28319000        0.37925046 

     S   3 
      298.95115000        0.11080655 
       35.78158500       -0.62937996 
       15.07100000       -0.44499432 

     S   3 
       27.84173800        0.24233883 
        4.73244060       -0.75309832 
        2.08408200       -0.38329469 

     S   3 
        3.62851340        0.27254801 
        0.69598988       -0.76602649 
        0.29185788       -0.39521020 

     S   2 
        0.42479369        0.18473829 
        0.06432540       -0.76524647 

     S   1 
        0.02596903 

     P   5 
     2045.56140000       -0.00779634 
      483.06531000       -0.06019973 
      153.45325000       -0.24248552 
       55.79203500       -0.50361483 
       20.93487500       -0.36004743 

     P   3 
       11.44753100       -0.33522336 
        4.76026960       -0.54332779 
        2.03958490       -0.21950767 

     P   2 
        1.18152980       -0.38298970 
        0.49856174       -0.52926416 

     P   1 
        0.20057946 

     P   1 
        0.05350000 

     D   5 
      163.47263000        0.01747849 
       47.64534400        0.11390841 
       17.06563500        0.34044507 
        6.39887150        0.49576763 
        2.30072060        0.29384986 

     D   3 
        1.50229570        0.19480335 
        0.45494000        0.47826094 
        0.12656146        0.57108445 

     D   1 
        0.02850000 

 Zr DZVP DGauss4.0 

    14 shells

     S   6 
   154759.61000000        0.00163802 
    23203.44800000        0.01254619 
     5264.80420000        0.06297205 
     1479.97130000        0.21899162 
      479.71858000        0.46524233 
      164.71597000        0.37945770 

     S   3 
      314.93173000        0.11113466 
       37.80598700       -0.62929348 
       15.97023400       -0.44508230 

     S   3 
       29.46276600        0.24483394 
        5.03790260       -0.76072426 
        2.23582090       -0.37673394 

     S   3 
        3.94152210       -0.28196391 
        0.77735416        0.77376575 
        0.32766994        0.39367403 

     S   2 
        0.47665334       -0.18520305 
        0.07420467        0.74448719 

     S   1 
        0.02936769 

     P   5 
     2177.79450000       -0.00767915 
      514.19091000       -0.05947827 
      163.31121000       -0.24073036 
       59.39459000       -0.50320792 
       22.30765600       -0.36239511 

     P   3 
       12.17466600       -0.33741394 
        5.09742090       -0.54336429 
        2.20523200       -0.21533073 

     P   2 
        1.31250440       -0.39460158 
        0.55904420       -0.52429790 

     P   1 
        0.22701453 

     P   1 
        0.05960000 

     D   5 
      179.91428000        0.01655918 
       52.51868700        0.10970423 
       18.87025400        0.33469946 
        7.12777470        0.49743769 
        2.59548450        0.29760565 

     D   3 
        1.76629550       -0.20674698 
        0.55271310       -0.49562323 
        0.15940008       -0.53520374 

     D   1 
        0.03520000 

 Nb DZVP DGauss4.0 

    14 shells

     S   6 
   161518.44000000        0.00165192 
    24228.12500000        0.01264131 
     5502.18400000        0.06333132 
     1548.80330000        0.21964904 
      502.95061000        0.46501907 
      173.06900000        0.37849351 

     S   3 
      331.47133000       -0.11140846 
       39.85041400        0.63032241 
       16.87194700        0.44403671 

     S   3 
       31.14005100        0.24713791 
        5.34781170       -0.76999478 
        2.38611710       -0.36848208 

     S   3 
        4.27129240       -0.28955121 
        0.86010710        0.78093936 
        0.36298836        0.39166097 

     S   2 
        0.53373305        0.18680772 
        0.08284851       -0.72514562 

     S   1 
        0.03221345 

     P   5 
     2299.55780000       -0.00764976 
      543.12805000       -0.05928459 
      172.64752000       -0.24012407 
       62.88070000       -0.50286278 
       23.66290700       -0.36303494 

     P   3 
       12.91742300       -0.33996314 
        5.44252300       -0.54340973 
        2.37456510       -0.21094618 

     P   2 
        1.45169140       -0.40216289 
        0.62284850       -0.52021126 

     P   1 
        0.25425670 

     P   1 
        0.06490000 

     D   5 
      194.69324000        0.01611906 
       56.94875000        0.10768994 
       20.54099500        0.33177669 
        7.81935620        0.49793791 
        2.88433990        0.29792097 

     D   3 
        2.03303600       -0.21538579 
        0.65209329       -0.50627150 
        0.19238667       -0.51085218 

     D   1 
        0.04170000 

 Mo DZVP DGauss4.0 

    14 shells

     S   6 
   170343.94000000       -0.00164234 
    25548.85900000       -0.01257103 
     5800.48870000       -0.06303606 
     1632.07850000       -0.21893678 
      529.78964000       -0.46475199 
      182.22550000       -0.37972611 

     S   3 
      348.33319000        0.11170181 
       41.97860300       -0.63043445 
       17.81851700       -0.44392426 

     S   3 
       32.85854300       -0.24945020 
        5.67184380        0.77815758 
        2.54296260        0.36142869 

     S   3 
        4.61214840        0.29592072 
        0.94651162       -0.78503062 
        0.39941416       -0.39216298 

     S   2 
        0.58733550       -0.18498946 
        0.09093843        0.70542662 

     S   1 
        0.03475313 

     P   5 
     2428.04200000        0.00760409 
      573.59779000        0.05899758 
      182.42914000        0.23933602 
       66.51764700        0.50252543 
       25.07187400        0.36396966 

     P   3 
       13.67903000       -0.34271097 
        5.79586460       -0.54347498 
        2.54769630       -0.20650347 

     P   2 
        1.59626890        0.40849061 
        0.68782000        0.51685536 

     P   1 
        0.28147023 

     P   1 
        0.06970000 

     D   5 
      211.04075000       -0.01557090 
       61.82259100       -0.10513944 
       22.36574800       -0.32805757 
        8.56872670       -0.49873004 
        3.19400650       -0.29980074 

     D   3 
        2.30404010       -0.22243021 
        0.75354227       -0.51335614 
        0.22590200       -0.49278117 

     D   1 
        0.04820000 

 Tc DZVP DGauss4.0 

    14 shells

     S   6 
   179686.19000000       -0.00163021 
    26943.26300000       -0.01248390 
     6114.30290000       -0.06267659 
     1719.28350000       -0.21809349 
      557.74914000       -0.46449362 
      191.70466000       -0.38115959 

     S   3 
      365.60662000        0.11199611 
       44.18232100       -0.63013750 
       18.80250300       -0.44423138 

     S   3 
       34.62194100       -0.25167211 
        6.00807990        0.78536699 
        2.70512620        0.35534386 

     S   3 
        4.96301430        0.30124059 
        1.03565130       -0.78669859 
        0.43715541       -0.39442380 

     S   2 
        0.64301250       -0.17817231 
        0.09800661        0.67576943 

     S   1 
        0.03721641 

     P   5 
     2561.00520000        0.00759742 
      604.85698000        0.05821900 
      192.81618000        0.24019944 
       69.51824000        0.50846894 
       26.21057500        0.35773998 

     P   3 
      107.08955000       -0.02379324 
       12.23761300        0.49521798 
        4.49121180        0.58125427 

     P   2 
        1.84840300       -0.38179622 
        0.77112824       -0.54360581 

     P   1 
        0.31068709 

     P   1 
        0.07650000 

     D   5 
      228.83732000       -0.01496569 
       67.16576600       -0.10206897 
       24.37622000       -0.32311627 
        9.39361480       -0.49936459 
        3.53472280       -0.30381080 

     D   3 
        2.65249860       -0.22115623 
        0.89490988       -0.51069898 
        0.27688701       -0.48757962 

     D   1 
        0.06460000 

 Ru DZVP DGauss4.0 

    14 shells

     S   6 
    88363.70000000       -0.00162831 
    28246.15400000       -0.01246799 
     6410.45580000       -0.06259880 
     1802.76960000       -0.21784815 
      584.99810000       -0.46426623 
      201.14280000       -0.38163519 

     S   3 
      383.36292000       -0.11225130 
       46.40909900        0.63063007 
       19.79243600        0.44373509 

     S   3 
       36.43717600       -0.25381605 
        6.35162270        0.79359270 
        2.86751190        0.34823814 

     S   3 
        5.33114150        0.30560417 
        1.12727160       -0.78808340 
        0.47577665       -0.39627284 

     S   2 
        0.70971613        0.17436609 
        0.10185847       -0.66660107 

     S   1 
        0.03836272 

     P   5 
     2680.74990000       -0.00763188 
      633.20760000       -0.05848761 
      201.99995000       -0.24094528 
       72.96513700       -0.50838156 
       27.59114200       -0.35640229 

     P   3 
      112.37554000        0.02395375 
       12.97049400       -0.49591818 
        4.80004260       -0.57958460 

     P   2 
        2.00228240        0.39094786 
        0.83448037        0.53994331 

     P   1 
        0.33682386 

     P   1 
        0.08200000 

     D   5 
      244.46943000       -0.01475643 
       71.82758100       -0.10124693 
       26.13545500       -0.32211649 
       10.13205300       -0.49925979 
        3.85360720       -0.30267707 

     D   3 
        2.98509990        0.22214274 
        1.02875130        0.50996123 
        0.32463848        0.48174614 

     D   1 
        0.07870000 

 Rh DZVP DGauss4.0 

    14 shells

     S   6 
   194399.54000000       -0.00165572 
    29173.20200000       -0.01265920 
     6630.91150000       -0.06334160 
     1869.11580000       -0.21933288 
      608.35128000       -0.46413470 
      209.92021000       -0.37931386 

     S   3 
      401.64960000       -0.11246413 
       48.65711600        0.63202216 
       20.78386000        0.44233073 

     S   3 
       38.30187200       -0.25584840 
        6.70346620        0.80201830 
        3.03136470        0.34090332 

     S   3 
        5.71425940        0.30907202 
        1.21968480       -0.79137801 
        0.51315445       -0.39568215 

     S   2 
        0.77922844        0.17310665 
        0.10527617       -0.65524292 

     S   1 
        0.03941740 

     P   5 
     2807.51950000       -0.00764447 
      663.57601000       -0.05852840 
      211.94292000       -0.24092563 
       76.67761700       -0.50812328 
       29.06029800       -0.35620857 

     P   3 
      117.86437000        0.02412407 
       13.71922500       -0.49692909 
        5.11613930       -0.57769921 

     P   2 
        2.16362680        0.39793947 
        0.90177592        0.53619141 

     P   1 
        0.36471451 

     P   1 
        0.08820000 

     D   5 
      263.35664000       -0.01426863 
       77.38864000       -0.09902179 
       28.19765000       -0.31900268 
       10.97668700       -0.49992669 
        4.20680870       -0.30469894 

     D   3 
        3.33227140        0.22214711 
        1.16721760        0.50960831 
        0.37332668        0.47790615 

     D   1 
        0.09240000 

 Pd DZVP DGauss4.0 

    14 shells

     S   6 
   207193.10000000        0.00161659 
    31063.77200000        0.01238216 
     7047.74950000        0.06223230 
     1981.20010000        0.21692187 
      642.75338000        0.46381874 
      220.95334000        0.38327711 

     S   3 
      420.08860000        0.11274461 
       51.04383900       -0.63118577 
       21.86011700       -0.44318191 

     S   3 
       40.20133600        0.25796900 
        7.07600110       -0.80795258 
        3.20869310       -0.33617302 

     S   3 
        6.10419670       -0.31233861 
        1.31792490        0.79114633 
        0.55345369        0.39862190 

     S   2 
        0.82336027       -0.16230367 
        0.10882257        0.64480495 

     S   1 
        0.04012675 

     P   5 
     2972.42140000       -0.00750908 
      702.11490000       -0.05770113 
      224.06464000       -0.23901532 
       81.02367800       -0.50764660 
       30.72530500       -0.35898041 

     P   3 
      123.25971000        0.02423584 
       14.51192800       -0.49683313 
        5.44882860       -0.57700637 

     P   2 
        2.33229490        0.40367943 
        0.97112588        0.53336479 

     P   1 
        0.39282893 

     P   1 
        0.09040000 

     D   5 
      282.67187000        0.01383088 
       83.16509800        0.09683267 
       30.35853800        0.31556612 
       11.86274800        0.50070916 
        4.57100130        0.30724514 

     D   3 
        3.59365150        0.23146027 
        1.25997260        0.51503040 
        0.40041961        0.46550960 

     D   1 
        0.09520000 

 Ag DZVP DGauss4.0 

    14 shells

     S   6 
   215086.06000000       -0.00162820 
    32258.58800000       -0.01246207 
     7324.36440000       -0.06253392 
     2061.31010000       -0.21748463 
      669.74756000       -0.46366479 
      230.64332000       -0.38243116 

     S   3 
      439.15415000        0.11295708 
       53.42193900       -0.63200984 
       22.91685100       -0.44235419 

     S   3 
       42.15640600       -0.25990666 
        7.45258920        0.81502609 
        3.38347380        0.33020848 

     S   3 
        6.51203040        0.31484731 
        1.41646390       -0.79277253 
        0.59312075       -0.39906820 

     S   2 
        0.89276310       -0.16100013 
        0.11075096        0.64155707 

     S   1 
        0.04064755 

     P   5 
     3110.45820000        0.00750539 
      735.04937000        0.05765115 
      234.78029000        0.23881603 
       85.00222500        0.50739842 
       32.29478700        0.35908473 

     P   3 
      128.99157000       -0.02439551 
       15.30321300        0.49789266 
        5.78359000        0.57521855 

     P   2 
        2.50525600       -0.40911226 
        1.04232560       -0.53032566 

     P   1 
        0.42178771 

     P   1 
        0.09860000 

     D   5 
      310.27356000       -0.01280804 
       91.14433800       -0.09178171 
       33.21961700       -0.30792961 
       12.98314800       -0.50269522 
        5.01375660       -0.31585623 

     D   3 
        3.97898030        0.22894085 
        1.42204070        0.51065955 
        0.46260392        0.46606274 

     D   1 
        0.11620000 

 Cd DZVP DGauss4.0 

    14 shells

     S   6 
   225379.46000000        0.00161937 
    33798.15800000        0.01239765 
     7671.64190000        0.06226561 
     2158.12710000        0.21683283 
      700.93157000        0.46341487 
      241.26502000        0.38357135 

     S   3 
      458.53463000        0.11319402 
       55.89407700       -0.63183819 
       24.03144200       -0.44252072 

     S   3 
       44.14981400        0.26190175 
        7.84985180       -0.81975649 
        3.57394040       -0.32664514 

     S   3 
        6.91484810       -0.31930359 
        1.52699530        0.79084491 
        0.64915301        0.40368593 

     S   2 
        0.97963685       -0.16898894 
        0.13500069        0.63925614 

     S   1 
        0.04921930 

     P   5 
     3286.54910000       -0.00737072 
      776.72654000       -0.05672583 
      248.06988000       -0.23638252 
       89.77214300       -0.50667756 
       34.11290200       -0.36269489 

     P   3 
      134.66571000        0.02451679 
       16.14285500       -0.49764827 
        6.14018790       -0.57472799 

     P   2 
        2.69031120        0.41315046 
        1.12636010        0.52994285 

     P   1 
        0.46189701 

     P   1 
        0.11240000 

     D   5 
      323.87850000        0.01303333 
       95.51482000        0.09261471 
       35.01335400        0.30850421 
       13.78705700        0.50113720 
        5.38572960        0.31328796 

     D   3 
        4.45921750        0.22298322 
        1.63783560        0.51181750 
        0.55511581        0.45882055 

     D   1 
        0.14780000 

 In DZVP DGauss4.0 

    14 shells

     S   6 
   235861.12000000       -0.00161143 
    35365.28300000       -0.01233986 
     8025.25890000       -0.06202380 
     2256.76790000       -0.21624065 
      732.73538000       -0.46316737 
      252.11518000       -0.38461924 

     S   3 
      478.37678000       -0.11341491 
       58.40865200        0.63198634 
       25.16607200        0.44235818 

     S   3 
       46.20629700       -0.26374624 
        8.25219320        0.82570026 
        3.76163410        0.32178739 

     S   3 
        7.33772530        0.32327030 
        1.63800340       -0.79130409 
        0.70771277       -0.40529346 

     S   2 
        1.07961880        0.19167566 
        0.16346497       -0.67696904 

     S   1 
        0.06086763 

     P   5 
     3433.64120000       -0.00736527 
      811.31519000       -0.05674559 
      259.14879000       -0.23656627 
       93.89184300       -0.50642422 
       35.77110700       -0.36234335 

     P   3 
      140.41031000        0.02467219 
       17.02277900       -0.49653232 
        6.52928090       -0.57485979 

     P   3 
        2.88597930        0.41512220 
        1.21954380        0.52798923 
        0.51521361        0.14713516 

     P   2 
        0.27325223       -0.23920496 
        0.09897245       -0.56371240 

     P   1 
        0.03513303 

     D   5 
      337.48528000        0.01327007 
       99.57066100        0.09424825 
       36.59662500        0.31097023 
       14.49920500        0.50042932 
        5.69394580        0.30847175 

     D   3 
        4.37632230        0.27130868 
        1.52335700        0.55544819 
        0.47834557        0.38588028 

     D   1 
        0.12700000 

 Sn DZVP DGauss4.0 

    14 shells

     S   6 
   245047.36000000       -0.00161615 
    36750.02600000       -0.01237113 
     8342.77350000       -0.06213395 
     2347.47230000       -0.21639771 
      762.83620000       -0.46297487 
      262.73793000       -0.38444775 

     S   3 
      498.73283000       -0.11360522 
       60.95045800        0.63271820 
       26.30561000        0.44160859 

     S   3 
       48.30391300       -0.26553586 
        8.66714370        0.83088965 
        3.95646920        0.31767240 

     S   3 
        7.76814460       -0.32757650 
        1.75268360        0.79394684 
        0.77029610        0.40493409 

     S   2 
        1.20051550       -0.21484201 
        0.19470258        0.70261138 

     S   1 
        0.07427405 

     P   5 
     3581.69690000       -0.00736587 
      846.74434000       -0.05670966 
      270.73208000       -0.23633754 
       98.21837200       -0.50602835 
       37.49606700       -0.36260458 

     P   3 
      146.34338000        0.02481836 
       17.90996300       -0.49619259 
        6.91641320       -0.57442559 

     P   3 
        3.08060130        0.41930376 
        1.31196840        0.52890387 
        0.55868589        0.13917010 

     P   2 
        0.30090372       -0.29992497 
        0.11542733       -0.56151552 

     P   1 
        0.04340329 

     D   5 
      354.24033000       -0.01329816 
      104.71075000       -0.09432703 
       38.60672100       -0.31107815 
       15.37179000       -0.49958393 
        6.09218330       -0.30691381 

     D   3 
        4.84719880       -0.26645583 
        1.72875630       -0.55816141 
        0.56542826       -0.37615915 

     D   1 
        0.15400000 

 Sb DZVP DGauss4.0 

    14 shells

     S   6 
   256073.33000000        0.00160783 
    38397.81700000        0.01231082 
     8714.34150000        0.06188217 
     2451.05140000        0.21578086 
      796.19247000        0.46274029 
      274.09077000        0.38552503 

     S   3 
      519.32174000       -0.11382726 
       63.60106500        0.63233446 
       27.51096500        0.44198745 

     S   3 
       50.44497400       -0.26733141 
        9.09715550        0.83517076 
        4.16049150        0.31448692 

     S   3 
        8.20927740        0.33195847 
        1.87050870       -0.79852197 
        0.83479067       -0.40279372 

     S   2 
        1.32617410       -0.23424287 
        0.22737369        0.72142251 

     S   1 
        0.08777690 

     P   5 
     3762.05370000        0.00727348 
      889.08808000        0.05612611 
      284.15403000        0.23492954 
      103.07294000        0.50553880 
       39.38422200        0.36468550 

     P   3 
      152.31598000        0.02495555 
       18.83057100       -0.49546160 
        7.31826960       -0.57443569 

     P   3 
        3.28440800       -0.42284120 
        1.41139340       -0.52859778 
        0.60814563       -0.13314468 

     P   2 
        0.34968178       -0.32125217 
        0.13927798       -0.55340509 

     P   1 
        0.05402621 

     D   5 
      381.57661000        0.01264006 
      112.70694000        0.09101246 
       41.53102700        0.30606042 
       16.54610900        0.50078233 
        6.57750210        0.31232278 

     D   3 
        5.32295220        0.26280884 
        1.93796680        0.56021199 
        0.65518290        0.36820195 

     D   1 
        0.18200000 

 Te DZVP DGauss4.0 

    14 shells

     S   6 
   265467.04000000       -0.00161372 
    39815.85700000       -0.01235016 
     9040.22220000       -0.06202544 
     2544.44690000       -0.21600781 
      827.31644000       -0.46256155 
      285.11675000       -0.38523611 

     S   3 
      540.45125000        0.11401635 
       66.27054800       -0.63271324 
       28.71637800       -0.44159603 

     S   3 
       52.63758800        0.26903762 
        9.53659520       -0.83962249 
        4.36728650       -0.31108855 

     S   3 
        8.66198540       -0.33633936 
        1.99155480        0.80481053 
        0.90078497        0.39905754 

     S   2 
        1.45509120        0.24955121 
        0.26021484       -0.73869601 

     S   1 
        0.10190784 

     P   5 
     3950.21790000       -0.00717368 
      933.93266000       -0.05540982 
      298.49500000       -0.23303183 
      108.24180000       -0.50490130 
       41.37776300       -0.36751165 

     P   3 
      158.46596000       -0.02509890 
       19.77174500        0.49491002 
        7.73011770        0.57431775 

     P   3 
        3.49381560        0.42660048 
        1.51529950        0.52769614 
        0.65961697        0.12771852 

     P   2 
        0.40644182        0.33878266 
        0.16253451        0.54186238 

     P   1 
        0.06224563 

     D   5 
      405.16882000       -0.01231973 
      119.78244000       -0.08928467 
       44.18133100       -0.30344282 
       17.63609800       -0.50124302 
        7.04416160       -0.31446612 

     D   3 
        5.82146680       -0.25862910 
        2.15795600       -0.56221190 
        0.74877360       -0.36252214 

     D   1 
        0.21200000 

 I  DZVP DGauss4.0 

    14 shells

     S   6 
   274845.46000000       -0.00162074 
    41233.18800000       -0.01239758 
     9366.73330000       -0.06220073 
     2638.40810000       -0.21629376 
      858.77440000       -0.46239490 
      296.30252000       -0.38484167 

     S   3 
      561.83722000        0.11422843 
       69.04014600       -0.63229093 
       29.98063500       -0.44201788 

     S   3 
       54.86968400       -0.27079861 
        9.99545850        0.84264721 
        4.58886780        0.30916571 

     S   3 
        9.12082560       -0.34102235 
        2.11967870        0.81006498 
        0.97089255        0.39675369 

     S   2 
        1.58799650        0.26297110 
        0.29533559       -0.75104120 

     S   1 
        0.11640157 

     P   5 
     4089.45540000       -0.00723655 
      967.03359000       -0.05583904 
      309.44213000       -0.23402424 
      112.45886000       -0.50470181 
       43.11859000       -0.36596334 

     P   3 
      164.64620000       -0.02523304 
       20.73658300        0.49441915 
        8.15583040        0.57414619 

     P   3 
        3.71048720        0.42999553 
        1.62499900        0.52623712 
        0.71462156        0.12340625 

     P   2 
        0.46281925        0.35372508 
        0.18643116        0.53558305 

     P   1 
        0.07148348 

     D   5 
      417.50324000       -0.01272515 
      123.61483000       -0.09152118 
       45.77903900       -0.30709885 
       18.39166300       -0.49963975 
        7.42179320       -0.30830664 

     D   3 
        6.27385860       -0.25930054 
        2.35941460       -0.56507649 
        0.83779660       -0.35236938 

     D   1 
        0.24400000 

 Xe DZVP DGauss4.0 

    14 shells

     S   6 
   287346.87000000        0.00160708 
    43095.30100000        0.01230012 
     9784.12850000        0.06180248 
     2753.63840000        0.21538809 
      895.43918000        0.46214848 
      308.62368000        0.38639706 

     S   3 
      583.95609000       -0.11438459 
       71.78511000        0.63322534 
       31.21570400        0.44105870 

     S   3 
       57.17189000       -0.27228310 
       10.45042100        0.84784922 
        4.79634320        0.30490358 

     S   3 
        9.60140440       -0.34504855 
        2.24514470        0.81961899 
        1.03824270        0.38963108 

     S   2 
        1.72612860        0.27454001 
        0.33198921       -0.76094754 

     S   1 
        0.13115156 

     P   5 
     4259.57200000        0.00721615 
     1007.47600000        0.05568174 
      322.55731000        0.23357221 
      117.30657000        0.50440394 
       45.04384900        0.36652762 

     P   3 
      171.16083000       -0.02539229 
       21.71036300        0.49445314 
        8.58627200        0.57350994 

     P   3 
        3.92782090       -0.43476892 
        1.73472550       -0.52419631 
        0.76938129       -0.11848078 

     P   2 
        0.52176710        0.36394883 
        0.21238857        0.53025107 

     P   1 
        0.08178085 

     D   5 
      443.54520000       -0.01232776 
      131.56120000       -0.08916265 
       19.66012300       -0.49984015 
       48.81639500       -0.30254279 
        7.95644190       -0.31340447 

     D   3 
        6.82453850       -0.25375492 
        2.60497700       -0.56607077 
        0.94221918       -0.35110776 

     D   1 
        0.27500000 
#
#
#                         DZVP2
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  DZVP2 DGauss4.0 

     3 shells

     S   4 
       50.99917800        0.00966048 
        7.48321810        0.07372886 
        1.77746760        0.29585808 
        0.51932952        0.71590532 

     S   1 
        0.15411000 

     P   1 
        0.75000000 

 He DZVP2 DGauss4.0 

     3 shells

     S   5 
      221.38803000        0.00274910 
       33.26196600        0.02086577 
        7.56165490        0.09705884 
        2.08559900        0.28072885 
        0.61433916        0.47422183 

     S   1 
        0.18292120 

     P   1 
        1.10000000 

 Li DZVP2 DGauss4.0 

     5 shells

     S   7 
     1455.81970000       -0.00077222 
      214.45374000       -0.00611309 
       48.17779100       -0.03137501 
       13.50569700       -0.11606760 
        4.28661980       -0.29339132 
        1.44532450       -0.45752192 
        0.48590636       -0.26240745 

     S   2 
        0.83473706        0.07514557 
        0.06768055       -0.65259490 

     S   1 
        0.02544591 

     P   1 
        0.07730000 

     D   1 
        0.12200000 

 Be DZVP2 DGauss4.0 

     5 shells

     S   7 
     2692.37950000        0.00075062 
      403.72786000        0.00580462 
       91.69794500        0.02957658 
       25.81860300        0.11098872 
        8.22949200        0.28955565 
        2.82668470        0.45777168 
        0.97589937        0.26699435 

     S   2 
        1.95703150       -0.07508010 
        0.16519789        0.58234850 

     S   1 
        0.05515707 

     P   1 
        0.16650000 

     D   1 
        0.27800000 

 B  DZVP2 DGauss4.0 

     6 shells

     S   7 
     3862.59880000        0.00084933 
      581.45071000        0.00650809 
      133.16963000        0.03263484 
       37.98787200        0.11914057 
       12.32784800        0.30309305 
        4.34496420        0.45122828 
        1.56373090        0.24491062 

     S   2 
        3.49662620       -0.07740175 
        0.30455235        0.57637194 

     S   1 
        0.09623274 

     P   5 
       22.25845500        0.00552882 
        5.05086360        0.03856161 
        1.48465120        0.14401933 
        0.49797714        0.34284211 
        0.17109003        0.46622482 

     P   1 
        0.05707438 

     D   1 
        0.40000000 

 C  DZVP2 DGauss4.0 

     6 shells

     S   7 
     5784.15710000        0.00081900 
      869.30350000        0.00629347 
      198.51164000        0.03178118 
       56.42990100        0.11727339 
       18.28545700        0.30347633 
        6.44871460        0.45352144 
        2.34185960        0.24305906 

     S   2 
        5.45953280       -0.07780438 
        0.47819684        0.57149465 

     S   1 
        0.14573011 

     P   5 
       34.25856300        0.00580429 
        7.86389540        0.04064034 
        2.34451930        0.15502192 
        0.79617152        0.35314444 
        0.27268043        0.45500624 

     P   1 
        0.08926046 

     D   1 
        0.60000000 

 N  DZVP2 DGauss4.0 

     6 shells

     S   7 
     8104.17610000        0.00079692 
     1217.31380000        0.00612890 
      277.73993000        0.03104708 
       78.84759800        0.11536815 
       25.53716100        0.30257378 
        9.00457110        0.45579130 
        3.28352780        0.24302081 

     S   2 
        7.84935730       -0.07763642 
        0.68622393        0.56798146 

     S   1 
        0.20350261 

     P   5 
       49.01460800       -0.00590065 
       11.31667100       -0.04164442 
        3.40340530       -0.16102491 
        1.16111070       -0.35835377 
        0.39533576       -0.44884150 

     P   1 
        0.12689806 

     D   1 
        0.70000000 

 O  DZVP2 DGauss4.0 

     6 shells

     S   7 
    10814.40200000        0.00078094 
     1623.75320000        0.00601022 
      370.18274000        0.03052218 
      104.97475000        0.11400891 
       33.98442200        0.30195736 
       11.98431200        0.45711074 
        4.38597040        0.24324783 

     S   2 
       10.63003400       -0.07876535 
        0.93985256        0.57063034 

     S   1 
        0.27662127 

     P   5 
       61.54421800        0.00662380 
       14.27619400        0.04646417 
        4.33176790        0.17442288 
        1.47660430        0.36661151 
        0.49598566        0.43693614 

     P   1 
        0.15448356 

     D   1 
        0.80000000 

 F  DZVP2 DGauss4.0 

     6 shells

     S   7 
    13652.10100000        0.00078732 
     2050.28700000        0.00605499 
      467.68712000        0.03072890 
      132.76350000        0.11464528 
       43.07638100        0.30377063 
       15.22882800        0.45730669 
        5.60511800        0.23957790 

     S   2 
       13.84793600       -0.07903447 
        1.22668860        0.57084824 

     S   1 
        0.35745644 

     P   5 
       78.96175200        0.00678268 
       18.34788000        0.04789760 
        5.58718880        0.17938411 
        1.90184740        0.36929885 
        0.63336518        0.43327799 

     P   1 
        0.19334547 

     D   1 
        1.00000000 

 Al DZVP2 DGauss4.0 

     8 shells

     S   7 
    36088.15200000        0.00059758 
     5334.36200000        0.00470906 
     1199.08920000        0.02455379 
      334.07447000        0.09671098 
      106.12906000        0.27681913 
       36.88280200        0.46452588 
       13.33268800        0.28140029 

     S   3 
       30.15812800        0.08777144 
        2.97327740       -0.57150003 
        1.01638120       -0.50668803 

     S   2 
        1.49076120        0.13403968 
        0.16935721       -0.66554911 

     S   1 
        0.06178970 

     P   6 
      286.95815000        0.00351847 
       66.16730800        0.02833545 
       20.32179500        0.12620279 
        7.08582350        0.32838695 
        2.52221040        0.47129213 
        0.86306862        0.27335180 

     P   2 
        0.37612547        0.20315746 
        0.12662863        0.54380684 

     P   1 
        0.04268430 

     D   1 
        0.30000000 

 Si DZVP2 DGauss4.0 

     8 shells

     S   7 
    42393.92700000       -0.00058953 
     6264.11290000       -0.00464833 
     1407.85520000       -0.02424697 
      392.20396000       -0.09567861 
      124.62688000       -0.27481677 
       43.36724800       -0.46402382 
       15.71023700       -0.28471222 

     S   3 
       35.22356900        0.09008524 
        3.55172360       -0.57645254 
        1.25288180       -0.50029723 

     S   2 
        1.94520470       -0.15076395 
        0.23685472        0.67463270 

     S   1 
        0.08592426 

     P   6 
      368.52147000        0.00314458 
       83.65581300        0.02624468 
       25.65768500        0.11962794 
        8.99255640        0.32097049 
        3.24806860        0.47502367 
        1.13807290        0.27740664 

     P   2 
        0.52840944        0.22910929 
        0.18313368        0.54832587 

     P   1 
        0.06255501 

     D   1 
        0.45000000 

 P  DZVP2 DGauss4.0 

     8 shells

     S   7 
    48863.35400000       -0.00058648 
     7253.04570000       -0.00460075 
     1632.60220000       -0.02398639 
      454.98230000       -0.09478644 
      144.62260000       -0.27307686 
       50.38272300       -0.46356646 
       18.28669000       -0.28758134 

     S   3 
       40.71252000        0.09210099 
        4.18001890       -0.58204854 
        1.51111730       -0.49372728 

     S   2 
        2.44424650       -0.16314314 
        0.31164179        0.67910500 

     S   1 
        0.11201192 

     P   6 
      435.29457000       -0.00306349 
      101.35449000       -0.02486739 
       31.41165900       -0.11471122 
       11.07597700       -0.31530502 
        4.04618090       -0.47792107 
        1.44238140       -0.28001610 

     P   2 
        0.70023076       -0.24842202 
        0.24481073       -0.55487665 

     P   1 
        0.08298959 

     D   1 
        0.55000000 

 S  DZVP2 DGauss4.0 

     8 shells

     S   7 
    56415.58000000       -0.00057784 
     8345.26890000       -0.00455127 
     1876.30410000       -0.02374723 
      522.73216000       -0.09398069 
      166.17491000       -0.27150208 
       57.94542200       -0.46315380 
       21.06674500       -0.29019392 

     S   3 
       46.61931500       -0.09389006 
        4.85989100        0.58778923 
        1.79118190        0.48734861 

     S   2 
        2.97659540        0.17317011 
        0.39422610       -0.68587364 

     S   1 
        0.14167322 

     P   6 
      520.42034000       -0.00293016 
      120.42997000       -0.02411008 
       37.39062400       -0.11217634 
       13.24845000       -0.31230673 
        4.88812770       -0.48011094 
        1.76493200       -0.27939772 

     P   2 
        0.88920670       -0.26593078 
        0.31032832       -0.54484109 

     P   1 
        0.10306758 

     D   1 
        0.65000000 

 Cl DZVP2 DGauss4.0 

     8 shells

     S   7 
    63923.62600000       -0.00057406 
     9525.98700000       -0.00448515 
     2146.31160000       -0.02339369 
      598.02741000       -0.09280495 
      190.02855000       -0.26931964 
       66.26196300       -0.46296130 
       24.09660800       -0.29371228 

     S   3 
       52.93325300        0.09547700 
        5.59230800       -0.59301606 
        2.09395600       -0.48168964 

     S   2 
        3.55768590       -0.18075015 
        0.48474686        0.68895935 

     S   1 
        0.17330463 

     P   6 
      583.20115000       -0.00305112 
      135.44725000       -0.02491212 
       42.33562500       -0.11471057 
       15.15427000       -0.31474761 
        5.68306770       -0.47810116 
        2.09023900       -0.27176954 

     P   2 
        1.09799700       -0.27857900 
        0.38227607       -0.54518291 

     P   1 
        0.12499854 

     D   1 
        0.75000000 

 Ar DZVP2 DGauss4.0 

     8 shells

     S   7 
    71235.46300000       -0.00057860 
    10643.43300000       -0.00450440 
     2402.54480000       -0.02344521 
      670.38906000       -0.09286031 
      213.36001000       -0.26919554 
       74.55808800       -0.46232676 
       27.19964100       -0.29399691 

     S   3 
       59.69619800        0.09685499 
        6.37035430       -0.59884616 
        2.41606460       -0.47553975 

     S   2 
        4.18650470       -0.18646477 
        0.58305011        0.69021702 

     S   1 
        0.20700694 

     P   6 
      699.42564000        0.00277688 
      163.58304000        0.02270692 
       51.14601600        0.10738371 
       18.25605800        0.30607003 
        6.84150560        0.48295778 
        2.51825460        0.28163443 

     P   2 
        1.32563520        0.28850042 
        0.46219470        0.54346877 

     P   1 
        0.15037116 

     D   1 
        0.85000000 

 Sc DZVP2 DGauss4.0 

    11 shells

     S   6 
    40355.90900000        0.00173331 
     6050.51540000        0.01327886 
     1372.47650000        0.06630408 
      385.24704000        0.22810442 
      124.03194000        0.47136569 
       42.11942300        0.36337636 

     S   3 
       82.15869800       -0.10081755 
        9.13498380        0.60057601 
        3.60008560        0.47318604 

     S   3 
        6.31097380        0.20966180 
        0.96549478       -0.70888477 
        0.37893515       -0.41495890 

     S   2 
        0.53398656       -0.15187664 
        0.07369860        0.70297406 

     S   1 
        0.02872046 

     P   5 
      483.11966000        0.00927161 
      113.24773000        0.06863495 
       35.35725400        0.25997164 
       12.37920400        0.50433572 
        4.41037250        0.34958900 

     P   2 
        2.22423780        0.31023152 
        0.83389916        0.55513982 

     P   1 
        0.30345079 

     P   1 
        0.07650000 

     D   4 
       10.66290300        0.06447518 
        2.71962190        0.26369057 
        0.76770852        0.47189547 
        0.18863365        0.54521499 

     D   1 
        0.03600000 

 Ti DZVP2 DGauss4.0 

    11 shells

     S   6 
    44446.89600000       -0.00172760 
     6664.41460000       -0.01323294 
     1511.98650000       -0.06608372 
      424.55078000       -0.22746908 
      136.80023000       -0.47087553 
       46.51453500       -0.36449013 

     S   3 
       90.60494200       -0.10181263 
       10.14685800        0.60429921 
        4.02771640        0.46944503 

     S   3 
        7.12703760       -0.21271456 
        1.10314030        0.71041177 
        0.43244951        0.41533071 

     S   2 
        0.61557515       -0.15265739 
        0.08585807        0.66103502 

     S   1 
        0.03310329 

     P   5 
      537.66903000        0.00920800 
      126.36414000        0.06818675 
       39.57137900        0.25913240 
       13.92175000        0.50463902 
        4.99168060        0.34877872 

     P   2 
        2.54789080        0.31521968 
        0.95979351        0.55340101 

     P   1 
        0.35020635 

     P   1 
        0.08550000 

     D   4 
       13.52001600       -0.06241371 
        3.50745230       -0.26480159 
        1.02209480       -0.47976999 
        0.26278615       -0.52405575 

     D   1 
        0.05100000 

 V  DZVP2 DGauss4.0 

    11 shells

     S   6 
    49145.25800000       -0.00170486 
     7366.10090000       -0.01306855 
     1669.95980000       -0.06540437 
      468.43959000       -0.22592856 
      150.82100000       -0.47044029 
       51.25277600       -0.36702733 

     S   3 
       99.48018000       -0.10271694 
       11.21326400        0.60769802 
        4.47782520        0.46607312 

     S   3 
        7.99133500       -0.21478088 
        1.24681580        0.71090444 
        0.48739336        0.41627090 

     S   2 
        0.69088903       -0.14902598 
        0.09698655        0.63308966 

     S   1 
        0.03676398 

     P   5 
      595.12707000       -0.00915891 
      140.00397000       -0.06796566 
       43.94137700       -0.25889917 
       15.52695200       -0.50501160 
        5.59921580       -0.34734433 

     P   2 
        2.88927230       -0.31914860 
        1.09088840       -0.55183655 

     P   1 
        0.39812973 

     P   1 
        0.09510000 

     D   4 
       16.22047300       -0.06163865 
        4.25474240       -0.26686077 
        1.26177140       -0.48444431 
        0.33151450       -0.51113551 

     D   1 
        0.06400000 

 Cr DZVP2 DGauss4.0 

    11 shells

     S   6 
    52778.74500000        0.00173538 
     7918.30170000        0.01327752 
     1798.48710000        0.06619055 
      505.92005000        0.22738481 
      163.50058000        0.47007283 
       55.81763400        0.36476534 

     S   3 
      108.80412000        0.10351710 
       12.32738700       -0.61151690 
        4.94622950       -0.46230659 

     S   3 
        8.90204460        0.21619006 
        1.39669760       -0.71092027 
        0.54401415       -0.41735879 

     S   2 
        0.77736615        0.14687214 
        0.10703581       -0.61484955 

     S   1 
        0.03990767 

     P   5 
      661.71204000       -0.00898941 
      155.31302000       -0.06727679 
       48.74308000       -0.25797560 
       17.26608300       -0.50557997 
        6.25076520       -0.34714143 

     P   2 
        3.25048650       -0.32202079 
        1.22840880       -0.55047775 

     P   1 
        0.44784370 

     P   1 
        0.10510000 

     D   4 
       18.83297300       -0.06170396 
        4.97912030       -0.27010797 
        1.49186960       -0.48809885 
        0.39585125       -0.50111055 

     D   1 
        0.07500000 

 Mn DZVP2 DGauss4.0 

    11 shells

     S   6 
    58745.69200000        0.00168349 
     8803.03930000        0.01291031 
     1994.93300000        0.06472259 
      559.35363000        0.22426573 
      180.12270000        0.46969494 
       61.26213400        0.36980486 

     S   3 
      118.52803000        0.10427704 
       13.50494600       -0.61400012 
        5.44318340       -0.45989715 

     S   3 
        9.85695530        0.21755469 
        1.55521630       -0.71088593 
        0.60461780       -0.41837028 

     S   2 
        0.86296550        0.14376106 
        0.11671877       -0.60090083 

     S   1 
        0.04285910 

     P   5 
      740.92768000       -0.00864199 
      173.91313000       -0.06522488 
       54.51849100       -0.25404174 
       19.30041400       -0.50615193 
        6.98930980       -0.35142320 

     P   2 
        3.63261960       -0.32483587 
        1.37382970       -0.54964146 

     P   1 
        0.50142895 

     P   1 
        0.11290000 

     D   4 
       21.25795800        0.06302754 
        5.65799460        0.27540605 
        1.70294550        0.49168449 
        0.45188689        0.49148305 

     D   1 
        0.08200000 

 Fe DZVP2 DGauss4.0 

    11 shells

     S   6 
    61430.22700000        0.00175588 
     9222.17600000        0.01341692 
     2097.59690000        0.06669545 
      591.49040000        0.22820507 
      191.86062000        0.46944994 
       65.82632800        0.36355687 

     S   3 
      128.74074000       -0.10491683 
       14.71813300        0.61796194 
        5.95075430        0.45600933 

     S   3 
       10.85987900        0.21849165 
        1.71944710       -0.71133102 
        0.66645315       -0.41869468 

     S   2 
        0.97547614       -0.14410538 
        0.12311432        0.59581339 

     S   1 
        0.04487950 

     P   5 
      780.62030000       -0.00912168 
      184.00622000       -0.06800399 
       58.08446700       -0.25976807 
       20.75979500       -0.50601385 
        7.59345150       -0.34190824 

     P   2 
        4.02791730       -0.32729618 
        1.52647000       -0.54814998 

     P   1 
        0.55737016 

     P   1 
        0.12100000 

     D   4 
       23.92931600       -0.06349209 
        6.39990130       -0.27839134 
        1.93174170       -0.49381955 
        0.51152789       -0.48626945 

     D   1 
        0.09000000 

 Co DZVP2 DGauss4.0 

    11 shells

     S   6 
    67981.04200000       -0.00170238 
    10193.42800000       -0.01303862 
     2313.18140000       -0.06518800 
      650.07779000       -0.22502897 
      210.06015000       -0.46914571 
       71.77449800       -0.36865863 

     S   3 
      139.32221000        0.10555778 
       16.00278600       -0.62009544 
        6.49193530       -0.45397250 

     S   3 
       11.91039400       -0.21912727 
        1.89041050        0.71142009 
        0.73022776        0.41922483 

     S   2 
        1.05860200        0.13928931 
        0.13009048       -0.58643150 

     S   1 
        0.04685301 

     P   5 
      852.79139000       -0.00902657 
      201.06964000       -0.06750984 
       63.52134500       -0.25902515 
       22.74864900       -0.50639189 
        8.34277550       -0.34185211 

     P   2 
        4.44760870       -0.32895347 
        1.68587800       -0.54729942 

     P   1 
        0.61512086 

     P   1 
        0.12660000 

     D   4 
       26.53246900       -0.06447590 
        7.12589450       -0.28236592 
        2.15476730       -0.49565362 
        0.56885998       -0.48065195 

     D   1 
        0.09700000 

 Ni DZVP2 DGauss4.0 

    11 shells

     S   6 
    72509.04200000       -0.00172075 
    10879.17600000       -0.01316375 
     2471.64600000       -0.06565671 
      695.82606000       -0.22590269 
      225.37504000       -0.46891569 
       77.24015800       -0.36728407 

     S   3 
      150.36412000        0.10612155 
       17.33109200       -0.62289972 
        7.04885550       -0.45126310 

     S   3 
       13.00639600       -0.21955898 
        2.06828210        0.71117415 
        0.79634338        0.41996867 

     S   2 
        1.14076120        0.13450418 
        0.13649558       -0.57911795 

     S   1 
        0.04864015 

     P   5 
      925.37823000        0.00898080 
      218.37918000        0.06725683 
       69.07589400        0.25871992 
       24.79418600        0.50670798 
        9.11772700        0.34125309 

     P   2 
        4.88655560        0.33026536 
        1.85205680        0.54657530 

     P   1 
        0.67489048 

     P   1 
        0.13510000 

     D   4 
       29.22965900       -0.06539529 
        7.87891450       -0.28601297 
        2.38611600       -0.49715644 
        0.62824374       -0.47563686 

     D   1 
        0.10400000 

 Cu DZVP2 DGauss4.0 

    11 shells

     S   6 
    80289.62000000       -0.00165622 
    12027.33800000       -0.01270925 
     2724.25750000       -0.06385176 
      763.56173000       -0.22211535 
      246.06459000       -0.46860492 
       83.86836300       -0.37337930 

     S   3 
      161.79726000        0.10667589 
       18.72537500       -0.62459431 
        7.63641650       -0.44967238 

     S   3 
       14.15082900       -0.21980770 
        2.25283040        0.71087602 
        0.86448861        0.42065715 

     S   2 
        1.22309630        0.13031688 
        0.14297710       -0.57086009 

     S   1 
        0.05046034 

     P   5 
     1002.97450000        0.00891431 
      236.62530000        0.06697043 
       74.89232100        0.25841474 
       26.93125200        0.50706202 
        9.92677590        0.34075115 

     P   2 
        5.34466480        0.33137451 
        2.02474800        0.54598708 

     P   1 
        0.73663308 

     P   1 
        0.14100000 

     D   4 
       31.81266700       -0.06688914 
        8.60587160       -0.29074008 
        2.60934110       -0.49841945 
        0.68521349       -0.46972514 

     D   1 
        0.11000000 

 Zn DZVP2 DGauss4.0 

    11 shells

     S   6 
    82904.22000000       -0.00173132 
    12444.23200000       -0.01323284 
     2829.85290000       -0.06589008 
      797.89288000       -0.22619884 
      259.06473000       -0.46839115 
       89.07951200       -0.36691557 

     S   3 
      173.68172000       -0.10716236 
       20.16649700        0.62649824 
        8.24708190        0.44782060 

     S   3 
       15.31658400       -0.22123747 
        2.45574930        0.70919114 
        0.95487774        0.42241465 

     S   2 
        1.41000340       -0.14046519 
        0.16934407        0.60127450 

     S   1 
        0.05922100 

     P   5 
     1085.17850000        0.00882603 
      256.18093000        0.06644549 
       81.14025300        0.25742462 
       29.22252000        0.50714550 
       10.79369500        0.34143564 

     P   2 
        5.84129040        0.33121254 
        2.22636600        0.54637606 

     P   1 
        0.82116401 

     P   1 
        0.16900000 

     D   4 
       38.09346700       -0.06069664 
       10.42375600       -0.27605004 
        3.25325210       -0.49826379 
        0.90975287       -0.46898980 

     D   1 
        0.17200000 
#
#
#                         TZVP
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  TZVP DGauss4.0 

     4 shells

     S   3 
       50.99917800        0.00966048 
        7.48321810        0.07372886 
        1.77746760        0.29585808 

     S   1 
        0.51932952 

     S   1 
        0.15411000 

     P   1 
        0.75000000 

 C  TZVP DGauss4.0 

     8 shells

     S   7 
     5784.15710000        0.00081900 
      869.30350000        0.00629347 
      198.51164000        0.03178118 
       56.42990100        0.11727339 
       18.28545700        0.30347633 
        6.44871460        0.45352144 
        2.34185960        0.24305906 

     S   1 
        5.45953280 

     S   1 
        0.47819684 

     S   1 
        0.14573011 

     P   4 
       34.25856300        0.00580429 
        7.86389540        0.04064034 
        2.34451930        0.15502192 
        0.79617152        0.35314444 

     P   1 
        0.27268043 

     P   1 
        0.08926046 

     D   1 
        0.60000000 

 N  TZVP DGauss4.0 

     8 shells

     S   7 
     8104.17610000        0.00079692 
     1217.31380000        0.00612890 
      277.73993000        0.03104708 
       78.84759800        0.11536815 
       25.53716100        0.30257378 
        9.00457110        0.45579130 
        3.28352780        0.24302081 

     S   1 
        7.84935730 

     S   1 
        0.68622393 

     S   1 
        0.20350261 

     P   4 
       49.01460800       -0.00590065 
       11.31667100       -0.04164442 
        3.40340530       -0.16102491 
        1.16111070       -0.35835377 

     P   1 
        0.39533576 

     P   1 
        0.12689806 

     D   1 
        0.70000000 

 O  TZVP DGauss4.0 

     8 shells

     S   7 
    10814.40200000        0.00078094 
     1623.75320000        0.00601022 
      370.18274000        0.03052218 
      104.97475000        0.11400891 
       33.98442200        0.30195736 
       11.98431200        0.45711074 
        4.38597040        0.24324783 

     S   1 
       10.63003400 

     S   1 
        0.93985256 

     S   1 
        0.27662127 

     P   4 
       61.54421800        0.00662380 
       14.27619400        0.04646417 
        4.33176790        0.17442288 
        1.47660430        0.36661151 

     P   1 
        0.49598566 

     P   1 
        0.15448356 

     D   1 
        0.80000000 

 F  TZVP DGauss4.0 

     8 shells

     S   7 
    13652.10100000        0.00078732 
     2050.28700000        0.00605499 
      467.68712000        0.03072890 
      132.76350000        0.11464528 
       43.07638100        0.30377063 
       15.22882800        0.45730669 
        5.60511800        0.23957790 

     S   1 
       13.84793600 

     S   1 
        1.22668860 

     S   1 
        0.35745644 

     P   4 
       78.96175200        0.00678268 
       18.34788000        0.04789760 
        5.58718880        0.17938411 
        1.90184740        0.36929885 

     P   1 
        0.63336518 

     P   1 
        0.19334547 

     D   1 
        1.00000000 

 Al TZVP DGauss4.0 

    10 shells

     S   7 
    36088.15200000        0.00059758 
     5334.36200000        0.00470906 
     1199.08920000        0.02455379 
      334.07447000        0.09671098 
      106.12906000        0.27681913 
       36.88280200        0.46452588 
       13.33268800        0.28140029 

     S   3 
       30.15812800        0.08777144 
        2.97327740       -0.57150003 
        1.01638120       -0.50668803 

     S   1 
        1.49076120 

     S   1 
        0.16935721 

     S   1 
        0.06178970 

     P   6 
      286.95815000        0.00351847 
       66.16730800        0.02833545 
       20.32179500        0.12620279 
        7.08582350        0.32838695 
        2.52221040        0.47129213 
        0.86306862        0.27335180 

     P   1 
        0.37612547 

     P   1 
        0.12662863 

     P   1 
        0.04268430 

     D   1 
        0.30000000 

 Si TZVP DGauss4.0 

    10 shells

     S   7 
    42393.92700000       -0.00058953 
     6264.11290000       -0.00464833 
     1407.85520000       -0.02424697 
      392.20396000       -0.09567861 
      124.62688000       -0.27481677 
       43.36724800       -0.46402382 
       15.71023700       -0.28471222 

     S   3 
       35.22356900        0.09008524 
        3.55172360       -0.57645254 
        1.25288180       -0.50029723 

     S   1 
        1.94520470 

     S   1 
        0.23685472 

     S   1 
        0.08592426 

     P   6 
      368.52147000        0.00314458 
       83.65581300        0.02624468 
       25.65768500        0.11962794 
        8.99255640        0.32097049 
        3.24806860        0.47502367 
        1.13807290        0.27740664 

     P   1 
        0.52840944 

     P   1 
        0.18313368 

     P   1 
        0.06255501 

     D   1 
        0.45000000 

 P  TZVP DGauss4.0 

    10 shells

     S   7 
    48863.35400000       -0.00058648 
     7253.04570000       -0.00460075 
     1632.60220000       -0.02398639 
      454.98230000       -0.09478644 
      144.62260000       -0.27307686 
       50.38272300       -0.46356646 
       18.28669000       -0.28758134 

     S   3 
       40.71252000        0.09210099 
        4.18001890       -0.58204854 
        1.51111730       -0.49372728 

     S   1 
        2.44424650 

     S   1 
        0.31164179 

     S   1 
        0.11201192 

     P   6 
      435.29457000       -0.00306349 
      101.35449000       -0.02486739 
       31.41165900       -0.11471122 
       11.07597700       -0.31530502 
        4.04618090       -0.47792107 
        1.44238140       -0.28001610 

     P   1 
        0.70023076 

     P   1 
        0.24481073 

     P   1 
        0.08298959 

     D   1 
        0.55000000 

 S  TZVP DGauss4.0 

    10 shells

     S   7 
    56415.58000000       -0.00057784 
     8345.26890000       -0.00455127 
     1876.30410000       -0.02374723 
      522.73216000       -0.09398069 
      166.17491000       -0.27150208 
       57.94542200       -0.46315380 
       21.06674500       -0.29019392 

     S   3 
       46.61931500       -0.09389006 
        4.85989100        0.58778923 
        1.79118190        0.48734861 

     S   1 
        2.97659540 

     S   1 
        0.39422610 

     S   1 
        0.14167322 

     P   6 
      520.42034000       -0.00293016 
      120.42997000       -0.02411008 
       37.39062400       -0.11217634 
       13.24845000       -0.31230673 
        4.88812770       -0.48011094 
        1.76493200       -0.27939772 

     P   1 
        0.88920670 

     P   1 
        0.31032832 

     P   1 
        0.10306758 

     D   1 
        0.65000000 

 Cl TZVP DGauss4.0 

    10 shells

     S   7 
    63923.62600000       -0.00057406 
     9525.98700000       -0.00448515 
     2146.31160000       -0.02339369 
      598.02741000       -0.09280495 
      190.02855000       -0.26931964 
       66.26196300       -0.46296130 
       24.09660800       -0.29371228 

     S   3 
       52.93325300        0.09547700 
        5.59230800       -0.59301606 
        2.09395600       -0.48168964 

     S   1 
        3.55768590 

     S   1 
        0.48474686 

     S   1 
        0.17330463 

     P   6 
      583.20115000       -0.00305112 
      135.44725000       -0.02491212 
       42.33562500       -0.11471057 
       15.15427000       -0.31474761 
        5.68306770       -0.47810116 
        2.09023900       -0.27176954 

     P   1 
        1.09799700 

     P   1 
        0.38227607 

     P   1 
        0.12499854 

     D   1 
        0.75000000 

 Ar TZVP DGauss4.0 

    10 shells

     S   7 
    71235.46300000       -0.00057860 
    10643.43300000       -0.00450440 
     2402.54480000       -0.02344521 
      670.38906000       -0.09286031 
      213.36001000       -0.26919554 
       74.55808800       -0.46232676 
       27.19964100       -0.29399691 

     S   3 
       59.69619800        0.09685499 
        6.37035430       -0.59884616 
        2.41606460       -0.47553975 

     S   1 
        4.18650470 

     S   1 
        0.58305011 

     S   1 
        0.20700694 

     P   6 
      699.42564000        0.00277688 
      163.58304000        0.02270692 
       51.14601600        0.10738371 
       18.25605800        0.30607003 
        6.84150560        0.48295778 
        2.51825460        0.28163443 

     P   1 
        1.32563520 

     P   1 
        0.46219470 

     P   1 
        0.15037116 

     D   1 
        0.85000000 
#
#
#                         A1
#                    Charge Density
#                  Gaussian Basis Sets
#
#

 H  A1 DGauss4.0 

     4 shells

     S   1 
       45.00000000 

     S   1 
        7.50000000 

     S   1 
        1.50000000 

     S   1 
        0.30000000 

 He A1 DGauss4.0 

     4 shells

     S   1 
       54.00000000 

     S   1 
        9.00000000 

     S   1 
        1.80000000 

     S   1 
        0.36000000 

 Li A1 DGauss4.0 

    7 shells

     S   1 
      256.00000000 

     S   1 
       51.20000000 

     S   1 
       12.80000000 

     S   1 
        3.20000000 

     S   1 
        0.80000000 

     SPD   1 
        0.20000000 

     SP   1 
        0.05000000 

 Be A1 DGauss4.0 

    7 shells

     S   1 
      512.00000000 

     S   1 
      103.00000000 

     S   1 
       25.60000000 

     S   1 
        6.40000000 

     S   1 
        1.60000000 

     SPD   1 
        0.40000000 

     SP   1 
        0.11000000 

 B  A1 DGauss4.0 

    7 shells

     S   1 
      716.80000000 

     S   1 
      143.40000000 

     S   1 
       35.84000000 

     S   1 
        8.96000000 

     SPD   1 
        2.80000000 

     SPD   1 
        0.56000000 

     SPD   1 
        0.14000000 

 C  A1 DGauss4.0 

    7 shells

     S   1 
     1114.00000000 

     S   1 
      223.00000000 

     S   1 
       55.72000000 

     S   1 
       13.90000000 

     SPD   1 
        4.40000000 

     SPD   1 
        0.87000000 

     SPD   1 
        0.22000000 

 N  A1 DGauss4.0 

    7 shells

     S   1 
     1640.00000000 

     S   1 
      328.00000000 

     S   1 
       82.00000000 

     S   1 
       20.50000000 

     SPD   1 
        6.40000000 

     SPD   1 
        1.28000000 

     SPD   1 
        0.32000000 

 O  A1 DGauss4.0 

    7 shells

     S   1 
     2000.00000000 

     S   1 
      400.00000000 

     S   1 
      100.00000000 

     S   1 
       25.00000000 

     SPD   1 
        7.80000000 

     SPD   1 
        1.56000000 

     SPD   1 
        0.39000000 

 F  A1 DGauss4.0 

    7 shells

     S   1 
     2458.00000000 

     S   1 
      492.00000000 

     S   1 
      123.00000000 

     S   1 
       30.70000000 

     SPD   1 
        9.60000000 

     SPD   1 
        1.92000000 

     SPD   1 
        0.48000000 

 Ne A1 DGauss4.0 

    7 shells

     S   1 
     3072.00000000 

     S   1 
      614.00000000 

     S   1 
      153.60000000 

     S   1 
       38.40000000 

     SPD   1 
       12.00000000 

     SPD   1 
        2.40000000 

     SPD   1 
        0.60000000 

 Na A1 DGauss4.0 

    9 shells

     S   1 
     3700.00000000 

     S   1 
      737.00000000 

     S   1 
      184.00000000 

     S   1 
       46.00000000 

     S   1 
       11.50000000 

     SPD   1 
        3.60000000 

     SPD   1 
        0.72000000 

     SPD   1 
        0.18000000 

     SP   1 
        0.04700000 

 Mg A1 DGauss4.0 

    9 shells

     S   1 
     6140.00000000 

     S   1 
     1220.00000000 

     S   1 
      310.00000000 

     S   1 
       77.00000000 

     S   1 
       19.00000000 

     SPD   1 
        6.00000000 

     SPD   1 
        1.20000000 

     SPD   1 
        0.30000000 

     SP   1 
        0.08000000 

 Al A1 DGauss4.0 

    9 shells

     S   1 
     6861.00000000 

     S   1 
     1372.00000000 

     S   1 
      343.00000000 

     S   1 
       85.80000000 

     S   1 
       21.40000000 

     SPD   1 
        6.72000000 

     SPD   1 
        1.34000000 

     SPD   1 
        0.34000000 

     SPD   1 
        0.08400000 

 Si A1 DGauss4.0 

    9 shells

     S   1 
     9830.00000000 

     S   1 
     1966.00000000 

     S   1 
      492.00000000 

     S   1 
      123.00000000 

     S   1 
       30.72000000 

     SPD   1 
        9.60000000 

     SPD   1 
        1.92000000 

     SPD   1 
        0.48000000 

     SPD   1 
        0.12000000 

 P  A1 DGauss4.0 

    9 shells

     S   1 
    13107.00000000 

     S   1 
     2621.00000000 

     S   1 
      655.00000000 

     S   1 
      164.00000000 

     S   1 
       41.00000000 

     SPD   1 
       13.00000000 

     SPD   1 
        2.60000000 

     SPD   1 
        0.64000000 

     SPD   1 
        0.16000000 

 S  A1 DGauss4.0 

    9 shells

     S   1 
    16384.00000000 

     S   1 
     3277.00000000 

     S   1 
      819.00000000 

     S   1 
      205.00000000 

     S   1 
       51.00000000 

     SPD   1 
       16.00000000 

     SPD   1 
        3.20000000 

     SPD   1 
        0.80000000 

     SPD   1 
        0.20000000 

 Cl A1 DGauss4.0 

    9 shells

     S   1 
    20480.00000000 

     S   1 
     4096.00000000 

     S   1 
     1024.00000000 

     S   1 
      256.00000000 

     S   1 
       64.00000000 

     SPD   1 
       20.00000000 

     SPD   1 
        4.00000000 

     SPD   1 
        1.00000000 

     SPD   1 
        0.25000000 

 Ar A1 DGauss4.0 

    9 shells

     S   1 
    24576.00000000 

     S   1 
     4915.00000000 

     S   1 
     1229.00000000 

     S   1 
      307.00000000 

     S   1 
       77.00000000 

     SPD   1 
       24.00000000 

     SPD   1 
        4.80000000 

     SPD   1 
        1.20000000 

     SPD   1 
        0.30000000 

 K  A1 DGauss4.0 

    10 shells

     S   1 
    10000.00000000 

     S   1 
     2000.00000000 

     S   1 
      490.00000000 

     S   1 
      122.00000000 

     S   1 
       30.70000000 

     SPD   1 
        9.60000000 

     SPD   1 
        1.92000000 

     SPD   1 
        0.48000000 

     SPD   1 
        0.12000000 

     SP   1 
        0.03500000 

 Ca A1 DGauss4.0 

    10 shells

     S   1 
    13900.00000000 

     S   1 
     2800.00000000 

     S   1 
      700.00000000 

     S   1 
      174.00000000 

     S   1 
       43.50000000 

     SPD   1 
       13.60000000 

     SPD   1 
        2.72000000 

     SPD   1 
        0.68000000 

     SPD   1 
        0.17000000 

     SP   1 
        0.05400000 

 Sc A1 DGauss4.0 

    10 shells

     S   1 
    21000.00000000 

     S   1 
     4200.00000000 

     S   1 
     1050.00000000 

     S   1 
      262.40000000 

     S   1 
       65.60000000 

     SPD   1 
       20.50000000 

     SPD   1 
        4.10000000 

     SPD   1 
        1.03000000 

     SPD   1 
        0.25600000 

     SPD   1 
        0.06400000 

 Ti A1 DGauss4.0 

    10 shells

     S   1 
    28000.00000000 

     S   1 
     5600.00000000 

     S   1 
     1400.00000000 

     S   1 
      348.00000000 

     S   1 
       87.00000000 

     SPD   1 
       27.20000000 

     SPD   1 
        5.44000000 

     SPD   1 
        1.36000000 

     SPD   1 
        0.34000000 

     SPD   1 
        0.08400000 

 V  A1 DGauss4.0 

    10 shells

     S   1 
    33100.00000000 

     S   1 
     6620.00000000 

     S   1 
     1650.00000000 

     S   1 
      414.00000000 

     S   1 
      103.00000000 

     SPD   1 
       32.00000000 

     SPD   1 
        6.46000000 

     SPD   1 
        1.61000000 

     SPD   1 
        0.40400000 

     SPD   1 
        0.10100000 

 Cr A1 DGauss4.0 

    10 shells

     S   1 
    37000.00000000 

     S   1 
     7530.00000000 

     S   1 
     1880.00000000 

     S   1 
      471.00000000 

     S   1 
      117.00000000 

     SPD   1 
       36.80000000 

     SPD   1 
        7.36000000 

     SPD   1 
        1.84000000 

     SPD   1 
        0.46000000 

     SPD   1 
        0.11500000 

 Mn A1 DGauss4.0 

    10 shells

     S   1 
    41000.00000000 

     S   1 
     8200.00000000 

     S   1 
     2050.00000000 

     S   1 
      510.00000000 

     S   1 
      128.00000000 

     SPD   1 
       40.00000000 

     SPD   1 
        8.00000000 

     SPD   1 
        2.00000000 

     SPD   1 
        0.50000000 

     SPD   1 
        0.12500000 

 Fe A1 DGauss4.0 

    10 shells

     S   1 
    44000.00000000 

     S   1 
     8800.00000000 

     S   1 
     2200.00000000 

     S   1 
      550.00000000 

     S   1 
      137.00000000 

     SPD   1 
       43.20000000 

     SPD   1 
        8.60000000 

     SPD   1 
        2.20000000 

     SPD   1 
        0.54000000 

     SPD   1 
        0.13500000 

 Co A1 DGauss4.0 

    10 shells

     S   1 
    47000.00000000 

     S   1 
     9400.00000000 

     S   1 
     2350.00000000 

     S   1 
      590.00000000 

     S   1 
      147.00000000 

     SPD   1 
       46.00000000 

     SPD   1 
        9.20000000 

     SPD   1 
        2.30000000 

     SPD   1 
        0.58000000 

     SPD   1 
        0.14400000 

 Ni A1 DGauss4.0 

    10 shells

     S   1 
    50000.00000000 

     S   1 
     9930.00000000 

     S   1 
     2500.00000000 

     S   1 
      620.00000000 

     S   1 
      155.00000000 

     SPD   1 
       48.00000000 

     SPD   1 
        9.70000000 

     SPD   1 
        2.40000000 

     SPD   1 
        0.60000000 

     SPD   1 
        0.15200000 

 Cu A1 DGauss4.0 

    10 shells

     S   1 
    53000.00000000 

     S   1 
    10500.00000000 

     S   1 
     2640.00000000 

     S   1 
      660.00000000 

     S   1 
      165.00000000 

     SPD   1 
       51.00000000 

     SPD   1 
       10.30000000 

     SPD   1 
        2.57000000 

     SPD   1 
        0.64000000 

     SPD   1 
        0.16000000 

 Zn A1 DGauss4.0 

    10 shells

     S   1 
    75500.00000000 

     S   1 
    15100.00000000 

     S   1 
     3776.00000000 

     S   1 
      944.00000000 

     S   1 
      236.00000000 

     SPD   1 
       74.00000000 

     SPD   1 
       14.80000000 

     SPD   1 
        3.70000000 

     SPD   1 
        0.92000000 

     SPD   1 
        0.23000000 

 Ga A1 DGauss4.0 

    10 shells

     S   1 
    26880.00000000 

     S   1 
     5376.00000000 

     S   1 
     1344.00000000 

     S   1 
      336.00000000 

     S   1 
       84.00000000 

     SPD   1 
       26.20000000 

     SPD   1 
        5.25000000 

     SPD   1 
        1.31000000 

     SPD   1 
        0.33000000 

     SPD   1 
        0.08200000 

 Ge A1 DGauss4.0 

    10 shells

     S   1 
    36032.00000000 

     S   1 
     7206.00000000 

     S   1 
     1802.00000000 

     S   1 
      450.00000000 

     S   1 
      113.00000000 

     SPD   1 
       35.20000000 

     SPD   1 
        7.04000000 

     SPD   1 
        1.76000000 

     SPD   1 
        0.44000000 

     SPD   1 
        0.11000000 

 As A1 DGauss4.0 

    10 shells

     S   1 
    45760.00000000 

     S   1 
     9152.00000000 

     S   1 
     2288.00000000 

     S   1 
      572.00000000 

     S   1 
      143.00000000 

     SPD   1 
       44.80000000 

     SPD   1 
        8.96000000 

     SPD   1 
        2.24000000 

     SPD   1 
        0.56000000 

     SPD   1 
        0.14000000 

 Se A1 DGauss4.0 

    10 shells

     S   1 
    52160.00000000 

     S   1 
    10432.00000000 

     S   1 
     2608.00000000 

     S   1 
      652.00000000 

     S   1 
      163.00000000 

     SPD   1 
       51.00000000 

     SPD   1 
       10.20000000 

     SPD   1 
        2.56000000 

     SPD   1 
        0.64000000 

     SPD   1 
        0.16000000 

 Br A1 DGauss4.0 

    10 shells

     S   1 
    62480.00000000 

     S   1 
    12496.00000000 

     S   1 
     3123.00000000 

     S   1 
      781.00000000 

     S   1 
      195.00000000 

     SPD   1 
       60.80000000 

     SPD   1 
       12.20000000 

     SPD   1 
        3.04000000 

     SPD   1 
        0.76000000 

     SPD   1 
        0.19000000 

 Kr A1 DGauss4.0 

    10 shells

     S   1 
    72320.00000000 

     S   1 
    14464.00000000 

     S   1 
     3616.00000000 

     S   1 
      904.00000000 

     S   1 
      226.00000000 

     SPD   1 
       70.50000000 

     SPD   1 
       14.10000000 

     SPD   1 
        3.52000000 

     SPD   1 
        0.88000000 

     SPD   1 
        0.22000000 

 Rb A1 DGauss4.0 

    11 shells

     S   1 
    40000.00000000 

     S   1 
     8200.00000000 

     S   1 
     2050.00000000 

     S   1 
      512.00000000 

     S   1 
      128.00000000 

     SPD   1 
       40.00000000 

     SPD   1 
        8.00000000 

     SPD   1 
        2.00000000 

     SPD   1 
        0.51020000 

     SPD   1 
        0.12800000 

     SP   1 
        0.03200000 

 Sr A1 DGauss4.0 

    11 shells

     S   1 
    60000.00000000 

     S   1 
    12300.00000000 

     S   1 
     3100.00000000 

     S   1 
      770.00000000 

     S   1 
      192.00000000 

     SPD   1 
       60.00000000 

     SPD   1 
       12.00000000 

     SPD   1 
        3.00000000 

     SPD   1 
        0.75220000 

     SPD   1 
        0.18800000 

     SP   1 
        0.04700000 

 Y  A1 DGauss4.0 

    10 shells

     S   1 
   121875.00000000 

     S   1 
    20312.00000000 

     S   1 
     4062.00000000 

     S   1 
      812.00000000 

     S   1 
      162.00000000 

     SPD   1 
       39.00000000 

     SPD   1 
        6.50000000 

     SPD   1 
        1.30000000 

     SPD   1 
        0.26000000 

     SPD   1 
        0.05200000 

 Zr A1 DGauss4.0 

    10 shells

     S   1 
   138375.00000000 

     S   1 
    23062.00000000 

     S   1 
     4612.00000000 

     S   1 
      922.00000000 

     S   1 
      184.00000000 

     SPD   1 
       44.20000000 

     SPD   1 
        7.38000000 

     SPD   1 
        1.48000000 

     SPD   1 
        0.29500000 

     SPD   1 
        0.05900000 

 Nb A1 DGauss4.0 

    10 shells

     S   1 
   150938.00000000 

     S   1 
    25156.00000000 

     S   1 
     5031.00000000 

     S   1 
     1006.00000000 

     S   1 
      201.00000000 

     SPD   1 
       48.30000000 

     SPD   1 
        8.05000000 

     SPD   1 
        1.61000000 

     SPD   1 
        0.32200000 

     SPD   1 
        0.06400000 

 Mo A1 DGauss4.0 

    10 shells

     S   1 
   164062.00000000 

     S   1 
    27344.00000000 

     S   1 
     5469.00000000 

     S   1 
     1094.00000000 

     S   1 
      219.00000000 

     SPD   1 
       52.50000000 

     SPD   1 
        8.75000000 

     SPD   1 
        1.75000000 

     SPD   1 
        0.35000000 

     SPD   1 
        0.07000000 

 Tc A1 DGauss4.0 

    10 shells

     S   1 
   174375.00000000 

     S   1 
    29062.00000000 

     S   1 
     5812.00000000 

     S   1 
     1162.00000000 

     S   1 
      232.00000000 

     SPD   1 
       55.80000000 

     SPD   1 
        9.30000000 

     SPD   1 
        1.86000000 

     SPD   1 
        0.37200000 

     SPD   1 
        0.07400000 

 Ru A1 DGauss4.0 

    10 shells

     S   1 
   180375.00000000 

     S   1 
    30062.00000000 

     S   1 
     6012.00000000 

     S   1 
     1202.00000000 

     S   1 
      240.00000000 

     SPD   1 
       57.80000000 

     SPD   1 
        9.62000000 

     SPD   1 
        1.92000000 

     SPD   1 
        0.38500000 

     SPD   1 
        0.07700000 

 Rh A1 DGauss4.0 

    10 shells

     S   1 
   185250.00000000 

     S   1 
    30875.00000000 

     S   1 
     6175.00000000 

     S   1 
     1235.00000000 

     S   1 
      247.00000000 

     SPD   1 
       59.20000000 

     SPD   1 
        9.88000000 

     SPD   1 
        1.98000000 

     SPD   1 
        0.39500000 

     SPD   1 
        0.07900000 

 Pd A1 DGauss4.0 

    10 shells

     S   1 
   187500.00000000 

     S   1 
    31250.00000000 

     S   1 
     6250.00000000 

     S   1 
     1250.00000000 

     S   1 
      250.00000000 

     SPD   1 
       60.00000000 

     SPD   1 
       10.00000000 

     SPD   1 
        2.00000000 

     SPD   1 
        0.40000000 

     SPD   1 
        0.08000000 

 Ag A1 DGauss4.0 

    10 shells

     S   1 
   189375.00000000 

     S   1 
    31562.00000000 

     S   1 
     6312.00000000 

     S   1 
     1262.00000000 

     S   1 
      252.00000000 

     SPD   1 
       60.80000000 

     SPD   1 
       10.10000000 

     SPD   1 
        2.02000000 

     SPD   1 
        0.40500000 

     SPD   1 
        0.08100000 

 Cd A1 DGauss4.0 

    10 shells

     S   1 
   228750.00000000 

     S   1 
    38125.00000000 

     S   1 
     7625.00000000 

     S   1 
     1525.00000000 

     S   1 
      305.00000000 

     SPD   1 
       73.50000000 

     SPD   1 
       12.20000000 

     SPD   1 
        2.45000000 

     SPD   1 
        0.49000000 

     SPD   1 
        0.09800000 

 In A1 DGauss4.0 

    10 shells

     S   1 
   164062.00000000 

     S   1 
    27344.00000000 

     S   1 
     5469.00000000 

     S   1 
     1094.00000000 

     S   1 
      219.00000000 

     SPD   1 
       52.50000000 

     SPD   1 
        8.75000000 

     SPD   1 
        1.75000000 

     SPD   1 
        0.35000000 

     SPD   1 
        0.07000000 

 Sn A1 DGauss4.0 

    10 shells

     S   1 
   204375.00000000 

     S   1 
    34062.00000000 

     S   1 
     6812.00000000 

     S   1 
     1362.00000000 

     S   1 
      272.00000000 

     SPD   1 
       65.20000000 

     SPD   1 
       10.90000000 

     SPD   1 
        2.18000000 

     SPD   1 
        0.43500000 

     SPD   1 
        0.08700000 

 Sb A1 DGauss4.0 

    10 shells

     S   1 
   253125.00000000 

     S   1 
    42188.00000000 

     S   1 
     8438.00000000 

     S   1 
     1688.00000000 

     S   1 
      338.00000000 

     SPD   1 
       81.00000000 

     SPD   1 
       13.50000000 

     SPD   1 
        2.70000000 

     SPD   1 
        0.54000000 

     SPD   1 
        0.10800000 

 Te A1 DGauss4.0 

    10 shells

     S   1 
   290625.00000000 

     S   1 
    48438.00000000 

     S   1 
     9688.00000000 

     S   1 
     1938.00000000 

     S   1 
      388.00000000 

     SPD   1 
       93.00000000 

     SPD   1 
       15.50000000 

     SPD   1 
        3.10000000 

     SPD   1 
        0.62000000 

     SPD   1 
        0.12400000 

 I  A1 DGauss4.0 

    10 shells

     S   1 
   335625.00000000 

     S   1 
    55938.00000000 

     S   1 
    11188.00000000 

     S   1 
     2238.00000000 

     S   1 
      448.00000000 

     SPD   1 
      107.00000000 

     SPD   1 
       17.90000000 

     SPD   1 
        3.58000000 

     SPD   1 
        0.71500000 

     SPD   1 
        0.14300000 

 Xe A1 DGauss4.0 

    10 shells

     S   1 
   384375.00000000 

     S   1 
    64062.00000000 

     S   1 
    12812.00000000 

     S   1 
     2562.00000000 

     S   1 
      512.00000000 

     SPD   1 
      123.00000000 

     SPD   1 
       20.50000000 

     SPD   1 
        4.10000000 

     SPD   1 
        0.82000000 

     SPD   1 
        0.16400000 
#
#
#                         A2
#                    Charge Density
#                  Gaussian Basis Sets
#
#

 H  A2 DGauss4.0 

     4 shells

     S   1 
       45.00000000 

     S   1 
        7.50000000 

     S   1 
        0.30000000 

     SPD   1 
        1.50000000 

 He A2 DGauss4.0 

     4 shells

     S   1 
       54.00000000 

     S   1 
        9.00000000 

     S   1 
        0.36000000 

     SPD   1 
        1.80000000 

 B  A2 DGauss4.0 

    8 shells

     S   1 
      992.00000000 

     S   1 
      220.00000000 

     S   1 
       63.00000000 

     S   1 
       18.00000000 

     SPD   1 
        6.62000000 

     SPD   1 
        1.47000000 

     SPD   1 
        0.42000000 

     SPD   1 
        0.12000000 

 C  A2 DGauss4.0 

    8 shells

     S   1 
     1500.00000000 

     S   1 
      330.00000000 

     S   1 
       94.30000000 

     S   1 
       27.00000000 

     SPD   1 
        9.92000000 

     SPD   1 
        2.20000000 

     SPD   1 
        0.63000000 

     SPD   1 
        0.18000000 

 N  A2 DGauss4.0 

    8 shells

     S   1 
     2066.00000000 

     S   1 
      459.00000000 

     S   1 
      131.00000000 

     S   1 
       37.50000000 

     SPD   1 
       13.80000000 

     SPD   1 
        3.06000000 

     SPD   1 
        0.88000000 

     SPD   1 
        0.25000000 

 O  A2 DGauss4.0 

    8 shells

     S   1 
     2566.00000000 

     S   1 
      570.00000000 

     S   1 
      163.00000000 

     S   1 
       46.50000000 

     SPD   1 
       17.00000000 

     SPD   1 
        3.80000000 

     SPD   1 
        1.08000000 

     SPD   1 
        0.31000000 

 F  A2 DGauss4.0 

    8 shells

     S   1 
     3100.00000000 

     S   1 
      690.00000000 

     S   1 
      197.00000000 

     S   1 
       56.30000000 

     SPD   1 
       21.00000000 

     SPD   1 
        4.60000000 

     SPD   1 
        1.33000000 

     SPD   1 
        0.38000000 

 Ne A2 DGauss4.0 

    8 shells

     S   1 
     4150.00000000 

     S   1 
      923.00000000 

     S   1 
      264.00000000 

     S   1 
       75.00000000 

     SPD   1 
       27.50000000 

     SPD   1 
        6.15000000 

     SPD   1 
        1.75000000 

     SPD   1 
        0.50000000 
#
#
#                        STO-3G
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  STO-3G DGauss4.0 

     1 shells

     S   3
        3.42525091        0.15432897
        0.62391373        0.53532814
        0.16885540        0.44463454

 He STO-3G DGauss4.0 

     1 shells

     S   3
        6.36242139        0.15432897
        1.15892300        0.53532814
        0.31364979        0.44463454

 Li STO-3G DGauss4.0 

     2 shells

     S   3
       16.11957500        0.15432897
        2.93620070        0.53532814
        0.79465050        0.44463454

     SP   3
        0.63628970       -0.09996723        0.15591627
        0.14786010        0.39951283        0.60768372
        0.04808870        0.70011547        0.39195739

 Be STO-3G DGauss4.0 

     2 shells

     S   3
       30.16787100        0.15432897
        5.49511530        0.53532814
        1.48719270        0.44463454

     SP   3
        1.31483310       -0.09996723        0.15591627
        0.30553890        0.39951283        0.60768372
        0.09937070        0.70011547        0.39195739

 B  STO-3G DGauss4.0 

     2 shells

     S   3
       48.79111300        0.15432897
        8.88736220        0.53532814
        2.40526700        0.44463454

     SP   3
        2.23695610       -0.09996723        0.15591627
        0.51982050        0.39951283        0.60768372
        0.16906180        0.70011547        0.39195739

 C  STO-3G DGauss4.0 

     2 shells

     S   3
       71.61683700        0.15432897
       13.04509600        0.53532814
        3.53051220        0.44463454

     SP   3
        2.94124940       -0.09996723        0.15591627
        0.68348310        0.39951283        0.60768372
        0.22228990        0.70011547        0.39195739

 N  STO-3G DGauss4.0 

     2 shells

     S   3
       99.10616900        0.15432897
       18.05231200        0.53532814
        4.88566020        0.44463454

     SP   3
        3.78045590       -0.09996723        0.15591627
        0.87849660        0.39951283        0.60768372
        0.28571440        0.70011547        0.39195739

 O  STO-3G DGauss4.0 

     2 shells

     S   3
      130.70932000        0.15432897
       23.80886100        0.53532814
        6.44360830        0.44463454

     SP   3
        5.03315130       -0.09996723        0.15591627
        1.16959610        0.39951283        0.60768372
        0.38038900        0.70011547        0.39195739

 F  STO-3G DGauss4.0 

     2 shells

     S   3
      166.67913000        0.15432897
       30.36081200        0.53532814
        8.21682070        0.44463454

     SP   3
        6.46480320       -0.09996723        0.15591627
        1.50228120        0.39951283        0.60768372
        0.48858850        0.70011547        0.39195739

 Ne STO-3G DGauss4.0 

     2 shells

     S   3
      207.01561000        0.15432897
       37.70815100        0.53532814
       10.20529700        0.44463454

     SP   3
        8.24631510       -0.09996723        0.15591627
        1.91626620        0.39951283        0.60768372
        0.62322930        0.70011547        0.39195739

 Na STO-3G DGauss4.0 

     3 shells

     S   3
      250.77243000        0.15432897
       45.67851100        0.53532814
       12.36238800        0.44463454

     SP   3
       12.04019300       -0.09996723        0.15591627
        2.79788190        0.39951283        0.60768372
        0.90995800        0.70011547        0.39195739

     SP   3
        1.47874060       -0.21962037        0.01058760
        0.41256490        0.22559543        0.59516701
        0.16147510        0.90039843        0.46200101

 Mg STO-3G DGauss4.0 

     3 shells

     S   3
      299.23740000        0.15432897
       54.50647000        0.53532814
       14.75158000        0.44463454

     SP   3
       15.12182000       -0.09996700        0.15591600
        3.51398700        0.39951300        0.60768400
        1.14285700        0.70011500        0.39195700

     SP   3
        1.39544800       -0.21962000        0.01058800
        0.38932600        0.22559500        0.59516700
        0.15238000        0.90039800        0.46200100

 Al STO-3G DGauss4.0 

     3 shells

     S   3
      351.42147670        0.15432897
       64.01186067        0.53532814
       17.32410761        0.44463454

     SP   3
       18.89939621       -0.09996723        0.15591628
        4.39181323        0.39951283        0.60768372
        1.42835397        0.70011547        0.39195739

     SP   3
        1.39544829       -0.21962037        0.01058760
        0.38932653        0.22559543        0.59516701
        0.15237977        0.90039843        0.46200101

 Si STO-3G DGauss4.0 

     3 shells

     S   3
      407.79755140        0.15432897
       74.28083305        0.53532814
       20.10329229        0.44463454

     SP   3
       23.19365606       -0.09996723        0.15591628
        5.38970687        0.39951283        0.60768372
        1.75289995        0.70011547        0.39195739

     SP   3
        1.47874062       -0.21962037        0.01058760
        0.41256488        0.22559543        0.59516701
        0.16147510        0.90039843        0.46200101

 P  STO-3G DGauss4.0 

     3 shells

     S   3
      468.36563780        0.15432897
       85.31338559        0.53532814
       23.08913156        0.44463454

     SP   3
       28.03263958       -0.09996723        0.15591628
        6.51418258        0.39951283        0.60768372
        2.11861435        0.70011547        0.39195739

     SP   3
        1.74310323       -0.21962037        0.01058760
        0.48632138        0.22559543        0.59516701
        0.19034289        0.90039843        0.46200101

 S  STO-3G DGauss4.0 

     3 shells

     S   3
      533.12573590        0.15432897
       97.10951830        0.53532814
       26.28162542        0.44463454

     SP   3
       33.32975173       -0.09996723        0.15591628
        7.74511752        0.39951283        0.60768372
        2.51895260        0.70011547        0.39195739

     SP   3
        2.02919427       -0.21962037        0.01058760
        0.56614005        0.22559543        0.59516701
        0.22158338        0.90039843        0.46200101

 Cl STO-3G DGauss4.0 

     3 shells

     S   3
      601.34561360        0.15432897
      109.53585420        0.53532814
       29.64467686        0.44463454

     SP   3
       38.96041889       -0.09996723        0.15591628
        9.05356348        0.39951283        0.60768372
        2.94449983        0.70011547        0.39195739

     SP   3
        2.12938649       -0.21962037        0.01058760
        0.59409343        0.22559543        0.59516701
        0.23252414        0.90039843        0.46200101

 Ar STO-3G DGauss4.0 

     3 shells

     S   3
      674.44651840        0.15432897
      122.85127530        0.53532814
       33.24834945        0.44463454

     SP   3
       45.16424392       -0.09996723        0.15591628
       10.49519900        0.39951283        0.60768372
        3.41336445        0.70011547        0.39195739

     SP   3
        2.62136652       -0.21962037        0.01058760
        0.73135461        0.22559543        0.59516701
        0.28624724        0.90039843        0.46200101
#
#
#                         3-21G
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  3-21G DGauss4.0 

     2 shells

     S   2
        5.44717800        0.15628500
        0.82454700        0.90469100

     S   1
        0.18319200

 He 3-21G DGauss4.0 

     2 shells

     S   2
       13.62670000        0.17523000
        1.99935000        0.89348300

     S   1
        0.38299300

 Li 3-21G DGauss4.0 

     3 shells

     S   3
       36.83820000        0.06966860
        5.48172000        0.38134600
        1.11327000        0.68170200

     SP   2
        0.54020500       -0.26312700        0.16154600
        0.10225500        1.14339000        0.91566300

     SP   1
        0.02856500

 Be 3-21G DGauss4.0 

     3 shells

     S   3
       71.88760000        0.06442630
       10.72890000        0.36609600
        2.22205000        0.69593400

     SP   2
        1.29548000       -0.42106400        0.20513200
        0.26888100        1.22407000        0.88252800

     SP   1
        0.07735000

 B  3-21G DGauss4.0 

     3 shells

     S   3
      116.43400000        0.06296050
       17.43140000        0.36330400
        3.68016000        0.69725500

     SP   2
        2.28187000       -0.36866200        0.23115200
        0.46524800        1.19944000        0.86676400

     SP   1
        0.12432800

 C  3-21G DGauss4.0 

     3 shells

     S   3
      172.25600000        0.06176690
       25.91090000        0.35879400
        5.53335000        0.70071300

     SP   2
        3.66498000       -0.39589700        0.23646000
        0.77054500        1.21584000        0.86061900

     SP   1
        0.19585700

 N  3-21G DGauss4.0 

     3 shells

     S   3
      242.76600000        0.05986570
       36.48510000        0.35295500
        7.81449000        0.70651300

     SP   2
        5.42522000       -0.41330100        0.23797200
        1.14915000        1.22442000        0.85895300

     SP   1
        0.28320500

 O  3-21G DGauss4.0 

     3 shells

     S   3
      322.03700000        0.05923940
       48.43080000        0.35150000
       10.42060000        0.70765800

     SP   2
        7.40294000       -0.40445300        0.24458600
        1.57620000        1.22156000        0.85395500

     SP   1
        0.37368400

 F  3-21G DGauss4.0 

     3 shells

     S   3
      413.80100000        0.05854830
       62.24460000        0.34930800
       13.43400000        0.70963200

     SP   2
        9.77759000       -0.40732700        0.24668000
        2.08617000        1.22314000        0.85232100

     SP   1
        0.48238300

 Ne 3-21G DGauss4.0 

     3 shells

     S   3
      515.72400000        0.05814300
       77.65380000        0.34795100
       16.81360000        0.71071400

     SP   2
       12.48300000       -0.40992200        0.24746000
        2.66451000        1.22431000        0.85174300

     SP   1
        0.60625000

 Na 3-21G DGauss4.0 

     4 shells

     S   3
      547.61300000        0.06749110
       82.06780000        0.39350500
       17.69170000        0.66560500

     SP   3
       17.54070000       -0.11193700        0.12823300
        3.79398000        0.25465400        0.47153300
        0.90644100        0.84441700        0.60427300

     SP   2
        0.50182400       -0.21966000        0.00906650
        0.06094580        1.08912000        0.99720200

     SP   1
        0.02443490

 Mg 3-21G DGauss4.0 

     4 shells

     S   3
      652.84100000        0.06759820
       98.38050000        0.39177800
       21.29960000        0.66666100

     SP   3
       23.37270000       -0.11024600        0.12101400
        5.19953000        0.18411900        0.46281000
        1.31508000        0.89639900        0.60690700

     SP   2
        0.61134900       -0.36110100        0.02426330
        0.14184100        1.21505000        0.98667300

     SP   1
        0.04640110

 Al 3-21G DGauss4.0 

     4 shells

     S   3
      775.73700000        0.06683470
      116.95200000        0.38906100
       25.33260000        0.66946800

     SP   3
       29.47960000       -0.10790200        0.11757400
        6.63314000        0.14624500        0.46117400
        1.72675000        0.92373000        0.60553500

     SP   2
        0.94616000       -0.32032700        0.05193830
        0.20250600        1.18412000        0.97266000

     SP   1
        0.06390880

 Si 3-21G DGauss4.0 

     4 shells

     S   3
      910.65500000        0.06608230
      137.33600000        0.38622900
       29.76010000        0.67238000

     SP   3
       36.67160000       -0.10451100        0.11335500
        8.31729000        0.10741000        0.45757800
        2.21645000        0.95144600        0.60742700

     SP   2
        1.07913000       -0.37610800        0.06710300
        0.30242200        1.25165000        0.95688300

     SP   1
        0.09333920

 P  3-21G DGauss4.0 

     4 shells

     S   3
     1054.90000000        0.06554100
      159.19500000        0.38403600
       34.53040000        0.67454100

     SP   3
       44.28660000       -0.10213000        0.11085100
       10.10190000        0.08159200        0.45649500
        2.73997000        0.96978800        0.60693600

     SP   2
        1.21865000       -0.37149500        0.09158200
        0.39554600        1.27099000        0.93492400

     SP   1
        0.12281100

 S  3-21G DGauss4.0 

     4 shells

     S   3
     1210.62000000        0.06500700
      182.74700000        0.38204000
       39.66730000        0.67654500

     SP   3
       52.22360000       -0.10031000        0.10964600
       11.96290000        0.06508800        0.45764900
        3.28911000        0.98145500        0.60426100

     SP   2
        1.22384000       -0.28608900        0.16477700
        0.45730300        1.22806000        0.87085500

     SP   1
        0.14226900

 Cl 3-21G DGauss4.0 

     4 shells

     S   3
     1376.40000000        0.06458270
      207.85700000        0.38036300
       45.15540000        0.67819000

     SP   3
       60.80140000       -0.09876390        0.10859800
       13.97650000        0.05113380        0.45868200
        3.88710000        0.99133700        0.60196200

     SP   2
        1.35299000       -0.22240100        0.21921600
        0.52695500        1.18252000        0.82232100

     SP   1
        0.16671400

 Ar 3-21G DGauss4.0 

     4 shells

     S   3
     1553.71000000        0.06417070
      234.67800000        0.37879700
       51.01210000        0.67975200

     SP   3
       70.04530000       -0.09746610        0.10761900
       16.14730000        0.03905690        0.45957600
        4.53492000        0.99991600        0.60004100

     SP   2
        1.54209000       -0.17686600        0.25568700
        0.60726700        1.14690000        0.78984200

     SP   1
        0.19537300
#
#
#                         3-21G*
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  3-21G* DGauss4.0 

     2 shells

     S   2
        5.44717800        0.15628500
        0.82454700        0.90469100

     S   1
        0.18319200

 He 3-21G* DGauss4.0 

     2 shells

     S   2
       13.62670000        0.17523000
        1.99935000        0.89348300

     S   1
        0.38299300

 Li 3-21G* DGauss4.0 

     4 shells

     S   3
       36.83820000        0.06966860
        5.48172000        0.38134600
        1.11327000        0.68170200

     SP   2
        0.54020500       -0.26312700        0.16154600
        0.10225500        1.14339000        0.91566300

     SP   1
        0.02856500

     D   1
        1.00000000

 Be 3-21G* DGauss4.0 

     4 shells

     S   3
       71.88760000        0.06442630
       10.72890000        0.36609600
        2.22205000        0.69593400

     SP   2
        1.29548000       -0.42106400        0.20513200
        0.26888100        1.22407000        0.88252800

     SP   1
        0.07735000

     D   1
        1.00000000

 B  3-21G* DGauss4.0 

     4 shells

     S   3
      116.43400000        0.06296050
       17.43140000        0.36330400
        3.68016000        0.69725500

     SP   2
        2.28187000       -0.36866200        0.23115200
        0.46524800        1.19944000        0.86676400

     SP   1
        0.12432800

     D   1
        1.00000000

 C  3-21G* DGauss4.0 

     4 shells

     S   3
      172.25600000        0.06176690
       25.91090000        0.35879400
        5.53335000        0.70071300

     SP   2
        3.66498000       -0.39589700        0.23646000
        0.77054500        1.21584000        0.86061900

     SP   1
        0.19585700

     D   1
        1.00000000

 N  3-21G* DGauss4.0 

     4 shells

     S   3
      242.76600000        0.05986570
       36.48510000        0.35295500
        7.81449000        0.70651300

     SP   2
        5.42522000       -0.41330100        0.23797200
        1.14915000        1.22442000        0.85895300

     SP   1
        0.28320500

     D   1
        1.00000000

 O  3-21G* DGauss4.0 

     4 shells

     S   3
      322.03700000        0.05923940
       48.43080000        0.35150000
       10.42060000        0.70765800

     SP   2
        7.40294000       -0.40445300        0.24458600
        1.57620000        1.22156000        0.85395500

     SP   1
        0.37368400

     D   1
        1.00000000

 F  3-21G* DGauss4.0 

     4 shells

     S   3
      413.80100000        0.05854830
       62.24460000        0.34930800
       13.43400000        0.70963200

     SP   2
        9.77759000       -0.40732700        0.24668000
        2.08617000        1.22314000        0.85232100

     SP   1
        0.48238300

     D   1
        1.00000000

 Ne 3-21G* DGauss4.0 

     4 shells

     S   3
      515.72400000        0.05814300
       77.65380000        0.34795100
       16.81360000        0.71071400

     SP   2
       12.48300000       -0.40992200        0.24746000
        2.66451000        1.22431000        0.85174300

     SP   1
        0.60625000

     D   1
        1.00000000

 Na 3-21G* DGauss4.0 

     5 shells

     S   3
      547.61300000        0.06749110
       82.06780000        0.39350500
       17.69170000        0.66560500

     SP   3
       17.54070000       -0.11193700        0.12823300
        3.79398000        0.25465400        0.47153300
        0.90644100        0.84441700        0.60427300

     SP   2
        0.50182400       -0.21966000        0.00906650
        0.06094580        1.08912000        0.99720200

     SP   1
        0.02443490

     D   1
        0.17500000

 Mg 3-21G* DGauss4.0 

     5 shells

     S   3
      652.84100000        0.06759820
       98.38050000        0.39177800
       21.29960000        0.66666100

     SP   3
       23.37270000       -0.11024600        0.12101400
        5.19953000        0.18411900        0.46281000
        1.31508000        0.89639900        0.60690700

     SP   2
        0.61134900       -0.36110100        0.02426330
        0.14184100        1.21505000        0.98667300

     SP   1
        0.04640110

     D   1
        0.17500000

 Al 3-21G* DGauss4.0 

     5 shells

     S   3
      775.73700000        0.06683470
      116.95200000        0.38906100
       25.33260000        0.66946800

     SP   3
       29.47960000       -0.10790200        0.11757400
        6.63314000        0.14624500        0.46117400
        1.72675000        0.92373000        0.60553500

     SP   2
        0.94616000       -0.32032700        0.05193830
        0.20250600        1.18412000        0.97266000

     SP   1
        0.06390880

     D   1
        0.32500000

 Si 3-21G* DGauss4.0 

     5 shells

     S   3
      910.65500000        0.06608230
      137.33600000        0.38622900
       29.76010000        0.67238000

     SP   3
       36.67160000       -0.10451100        0.11335500
        8.31729000        0.10741000        0.45757800
        2.21645000        0.95144600        0.60742700

     SP   2
        1.07913000       -0.37610800        0.06710300
        0.30242200        1.25165000        0.95688300

     SP   1
        0.09333920

     D   1
        0.45000000

 P  3-21G* DGauss4.0 

     5 shells

     S   3
     1054.90000000        0.06554100
      159.19500000        0.38403600
       34.53040000        0.67454100

     SP   3
       44.28660000       -0.10213000        0.11085100
       10.10190000        0.08159200        0.45649500
        2.73997000        0.96978800        0.60693600

     SP   2
        1.21865000       -0.37149500        0.09158200
        0.39554600        1.27099000        0.93492400

     SP   1
        0.12281100

     D   1
        0.55000000

 S  3-21G* DGauss4.0 

     5 shells

     S   3
     1210.62000000        0.06500700
      182.74700000        0.38204000
       39.66730000        0.67654500

     SP   3
       52.22360000       -0.10031000        0.10964600
       11.96290000        0.06508800        0.45764900
        3.28911000        0.98145500        0.60426100

     SP   2
        1.22384000       -0.28608900        0.16477700
        0.45730300        1.22806000        0.87085500

     SP   1
        0.14226900

     D   1
        0.65000000

 Cl 3-21G* DGauss4.0 

     5 shells

     S   3
     1376.40000000        0.06458270
      207.85700000        0.38036300
       45.15540000        0.67819000

     SP   3
       60.80140000       -0.09876390        0.10859800
       13.97650000        0.05113380        0.45868200
        3.88710000        0.99133700        0.60196200

     SP   2
        1.35299000       -0.22240100        0.21921600
        0.52695500        1.18252000        0.82232100

     SP   1
        0.16671400

     D   1
        0.75000000

 Ar 3-21G* DGauss4.0 

     4 shells

     S   3
     1553.71000000        0.06417070
      234.67800000        0.37879700
       51.01210000        0.67975200

     SP   3
       70.04530000       -0.09746610        0.10761900
       16.14730000        0.03905690        0.45957600
        4.53492000        0.99991600        0.60004100

     SP   2
        1.54209000       -0.17686600        0.25568700
        0.60726700        1.14690000        0.78984200

     SP   1
        0.19537300

     D   1
        0.85000000
#
#
#                         3-21G**
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  3-21G** DGauss4.0 

     3 shells

     S   2
        5.44717800        0.15628500
        0.82454700        0.90469100

     S   1
        0.18319200

     P   1
        1.10000000

 He 3-21G** DGauss4.0 

     3 shells

     S   2
       13.62670000        0.17523000
        1.99935000        0.89348300

     S   1
        0.38299300

     P   1
        1.10000000

 Li 3-21G** DGauss4.0 

     4 shells

     S   3
       36.83820000        0.06966860
        5.48172000        0.38134600
        1.11327000        0.68170200

     SP   2
        0.54020500       -0.26312700        0.16154600
        0.10225500        1.14339000        0.91566300

     SP   1
        0.02856500

     D   1
        1.00000000

 Be 3-21G** DGauss4.0 

     4 shells

     S   3
       71.88760000        0.06442630
       10.72890000        0.36609600
        2.22205000        0.69593400

     SP   2
        1.29548000       -0.42106400        0.20513200
        0.26888100        1.22407000        0.88252800

     SP   1
        0.07735000

     D   1
        1.00000000

 B  3-21G** DGauss4.0 

     4 shells

     S   3
      116.43400000        0.06296050
       17.43140000        0.36330400
        3.68016000        0.69725500

     SP   2
        2.28187000       -0.36866200        0.23115200
        0.46524800        1.19944000        0.86676400

     SP   1
        0.12432800

     D   1
        1.00000000

 C  3-21G** DGauss4.0 

     4 shells

     S   3
      172.25600000        0.06176690
       25.91090000        0.35879400
        5.53335000        0.70071300

     SP   2
        3.66498000       -0.39589700        0.23646000
        0.77054500        1.21584000        0.86061900

     SP   1
        0.19585700

     D   1
        1.00000000

 N  3-21G** DGauss4.0 

     4 shells

     S   3
      242.76600000        0.05986570
       36.48510000        0.35295500
        7.81449000        0.70651300

     SP   2
        5.42522000       -0.41330100        0.23797200
        1.14915000        1.22442000        0.85895300

     SP   1
        0.28320500

     D   1
        1.00000000

 O  3-21G** DGauss4.0 

     4 shells

     S   3
      322.03700000        0.05923940
       48.43080000        0.35150000
       10.42060000        0.70765800

     SP   2
        7.40294000       -0.40445300        0.24458600
        1.57620000        1.22156000        0.85395500

     SP   1
        0.37368400

     D   1
        1.00000000

 F  3-21G** DGauss4.0 

     4 shells

     S   3
      413.80100000        0.05854830
       62.24460000        0.34930800
       13.43400000        0.70963200

     SP   2
        9.77759000       -0.40732700        0.24668000
        2.08617000        1.22314000        0.85232100

     SP   1
        0.48238300

     D   1
        1.00000000

 Ne 3-21G** DGauss4.0 

     4 shells

     S   3
      515.72400000        0.05814300
       77.65380000        0.34795100
       16.81360000        0.71071400

     SP   2
       12.48300000       -0.40992200        0.24746000
        2.66451000        1.22431000        0.85174300

     SP   1
        0.60625000

     D   1
        1.00000000

 Na 3-21G** DGauss4.0 

     5 shells

     S   3
      547.61300000        0.06749110
       82.06780000        0.39350500
       17.69170000        0.66560500

     SP   3
       17.54070000       -0.11193700        0.12823300
        3.79398000        0.25465400        0.47153300
        0.90644100        0.84441700        0.60427300

     SP   2
        0.50182400       -0.21966000        0.00906650
        0.06094580        1.08912000        0.99720200

     SP   1
        0.02443490

     D   1
        0.17500000

 Mg 3-21G** DGauss4.0 

     5 shells

     S   3
      652.84100000        0.06759820
       98.38050000        0.39177800
       21.29960000        0.66666100

     SP   3
       23.37270000       -0.11024600        0.12101400
        5.19953000        0.18411900        0.46281000
        1.31508000        0.89639900        0.60690700

     SP   2
        0.61134900       -0.36110100        0.02426330
        0.14184100        1.21505000        0.98667300

     SP   1
        0.04640110

     D   1
        0.17500000

 Al 3-21G** DGauss4.0 

     5 shells

     S   3
      775.73700000        0.06683470
      116.95200000        0.38906100
       25.33260000        0.66946800

     SP   3
       29.47960000       -0.10790200        0.11757400
        6.63314000        0.14624500        0.46117400
        1.72675000        0.92373000        0.60553500

     SP   2
        0.94616000       -0.32032700        0.05193830
        0.20250600        1.18412000        0.97266000

     SP   1
        0.06390880

     D   1
        0.32500000

 Si 3-21G** DGauss4.0 

     5 shells

     S   3
      910.65500000        0.06608230
      137.33600000        0.38622900
       29.76010000        0.67238000

     SP   3
       36.67160000       -0.10451100        0.11335500
        8.31729000        0.10741000        0.45757800
        2.21645000        0.95144600        0.60742700

     SP   2
        1.07913000       -0.37610800        0.06710300
        0.30242200        1.25165000        0.95688300

     SP   1
        0.09333920

     D   1
        0.45000000

 P  3-21G** DGauss4.0 

     5 shells

     S   3
     1054.90000000        0.06554100
      159.19500000        0.38403600
       34.53040000        0.67454100

     SP   3
       44.28660000       -0.10213000        0.11085100
       10.10190000        0.08159200        0.45649500
        2.73997000        0.96978800        0.60693600

     SP   2
        1.21865000       -0.37149500        0.09158200
        0.39554600        1.27099000        0.93492400

     SP   1
        0.12281100

     D   1
        0.55000000

 S  3-21G** DGauss4.0 

     5 shells

     S   3
     1210.62000000        0.06500700
      182.74700000        0.38204000
       39.66730000        0.67654500

     SP   3
       52.22360000       -0.10031000        0.10964600
       11.96290000        0.06508800        0.45764900
        3.28911000        0.98145500        0.60426100

     SP   2
        1.22384000       -0.28608900        0.16477700
        0.45730300        1.22806000        0.87085500

     SP   1
        0.14226900

     D   1
        0.65000000

 Cl 3-21G** DGauss4.0 

     5 shells

     S   3
     1376.40000000        0.06458270
      207.85700000        0.38036300
       45.15540000        0.67819000

     SP   3
       60.80140000       -0.09876390        0.10859800
       13.97650000        0.05113380        0.45868200
        3.88710000        0.99133700        0.60196200

     SP   2
        1.35299000       -0.22240100        0.21921600
        0.52695500        1.18252000        0.82232100

     SP   1
        0.16671400

     D   1
        0.75000000
#
#
#                         6-31G
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  6-31G DGauss4.0 

     2 shells

     S   3
       18.73113700        0.03349460
        2.82539370        0.23472695
        0.64012170        0.81375733

     S   1
        0.16127780

 He 6-31G DGauss4.0 

     2 shells

     S   3
       38.42163400        0.02376600
        5.77803000        0.15467900
        1.24177400        0.46963000

     S   1
        0.29796400

 Li 6-31G DGauss4.0 

     3 shells

     S   6
      642.41892000        0.00214260
       96.79851500        0.01620890
       22.09112100        0.07731560
        6.20107030        0.24578600
        1.93511770        0.47018900
        0.63673580        0.34547080

     SP   3
        2.32491840       -0.03509170        0.00894150
        0.63243060       -0.19123280        0.14100950
        0.07905340        1.08398780        0.94536370

     SP   1
        0.03596200

 Be 6-31G DGauss4.0 

     3 shells

     S   6
     1264.58570000        0.00194480
      189.93681000        0.01483510
       43.15908900        0.07209060
       12.09866300        0.23715420
        3.80632320        0.46919870
        1.27289030        0.35652020

     SP   3
        3.19646310       -0.11264870        0.05598020
        0.74781330       -0.22950640        0.26155060
        0.21996630        1.18691670        0.79397230

     SP   1
        0.08230990

 B  6-31G DGauss4.0 

     3 shells

     S   6
     2068.88230000        0.00186630
      310.64957000        0.01425150
       70.68303300        0.06955160
       19.86108000        0.23257290
        6.29930480        0.46707870
        2.12702700        0.36343140

     SP   3
        4.72797100       -0.13039380        0.07459760
        1.19033770       -0.13078890        0.30784670
        0.35941170        1.13094440        0.74345680

     SP   1
        0.12675120

 C  6-31G DGauss4.0 

     3 shells

     S   6
     3047.52490000        0.00183470
      457.36951000        0.01403730
      103.94869000        0.06884260
       29.21015500        0.23218440
        9.28666300        0.46794130
        3.16392700        0.36231200

     SP   3
        7.86827240       -0.11933240        0.06899910
        1.88128850       -0.16085420        0.31642400
        0.54424930        1.14345640        0.74430830

     SP   1
        0.16871440

 N  6-31G DGauss4.0 

     3 shells

     S   6
     4173.51100000        0.00183480
      627.45790000        0.01399500
      142.90210000        0.06858700
       40.23433000        0.23224100
       12.82021000        0.46907000
        4.39043700        0.36045500

     SP   3
       11.62635800       -0.11496100        0.06758000
        2.71628000       -0.16911800        0.32390700
        0.77221800        1.14585200        0.74089500

     SP   1
        0.21203130

 O  6-31G DGauss4.0 

     3 shells

     S   6
     5484.67170000        0.00183110
      825.23495000        0.01395010
      188.04696000        0.06844510
       52.96450000        0.23271430
       16.89757000        0.47019300
        5.79963530        0.35852090

     SP   3
       15.53961600       -0.11077750        0.07087430
        3.59993360       -0.14802630        0.33975280
        1.01376180        1.13076700        0.72715860

     SP   1
        0.27000580

 F  6-31G DGauss4.0 

     3 shells

     S   6
     7001.71309000        0.00181962
     1051.36609000        0.01391608
      239.28569000        0.06840532
       67.39744530        0.23318576
       21.51995730        0.47126744
        7.40310130        0.35661855

     SP   3
       20.84795280       -0.10850698        0.07162872
        4.80830834       -0.14645166        0.34591210
        1.34406986        1.12868858        0.72246996

     SP   1
        0.35815139

 Ne 6-31G DGauss4.0 

     3 shells

     S   6
     8425.85153000        0.00188435
     1268.51940000        0.01433690
      289.62141400        0.07010962
       81.85900400        0.23737327
       26.25150790        0.47300713
        9.09472051        0.34840124

     SP   3
       26.53213100       -0.10711829        0.07190959
        6.10175501       -0.14616382        0.34951337
        1.69627153        1.12777350        0.71994051

     SP   1
        0.44581870

 Na 6-31G DGauss4.0 

     4 shells

     S   6
     9993.20000000        0.00193770
     1499.89000000        0.01480700
      341.95100000        0.07270600
       94.67970000        0.25262900
       29.73450000        0.49324200
       10.00630000        0.31316900

     SP   6
      150.96300000       -0.00354210        0.00500170
       35.58780000       -0.04395900        0.03551100
       11.16830000       -0.10975210        0.14282500
        3.90201000        0.18739800        0.33862000
        1.38177000        0.64669900        0.45157900
        0.46638200        0.30605800        0.27327100

     SP   3
        0.49796600       -0.24850300       -0.02302300
        0.08435300       -0.13170400        0.95035900
        0.06663500        1.23352000        0.05985800

     SP   1
        0.02595440

 Mg 6-31G DGauss4.0 

     4 shells

     S   6
    11722.80000000        0.00197780
     1759.93000000        0.01511400
      400.84600000        0.07391100
      112.80700000        0.24919100
       35.99970000        0.48792800
       12.18280000        0.31966200

     SP   6
      189.18000000       -0.00323720        0.00492810
       45.21190000       -0.04100800        0.03498900
       14.35630000       -0.11260000        0.14072500
        5.13886000        0.14863300        0.33364200
        1.90652000        0.61649700        0.44494000
        0.70588700        0.36482900        0.26925400

     SP   3
        0.92934000       -0.21229000       -0.02241900
        0.26903500       -0.10798500        0.19227000
        0.11737900        1.17584000        0.84618100

     SP   1
        0.04210610

 Al 6-31G DGauss4.0 

     4 shells

     S   6
    13983.10000000        0.00194267
     2098.75000000        0.01485990
      477.70500000        0.07284940
      134.36000000        0.24683000
       42.87090000        0.48725800
       14.51890000        0.32349600

     SP   6
      239.66800000       -0.00292619        0.00460285
       57.44190000       -0.03740800        0.03319900
       18.28590000       -0.11448700        0.13628200
        6.59914000        0.11563500        0.33047600
        2.49049000        0.61259500        0.44914600
        0.94454000        0.39379900        0.26570400

     SP   3
        1.27790000       -0.22760600       -0.01751300
        0.39759000        0.00144583        0.24453300
        0.16009500        1.09279000        0.80493400

     SP   1
        0.05565770

 Si 6-31G DGauss4.0 

     4 shells

     S   6
    16115.90000000        0.00195948
     2425.58000000        0.01492880
      553.86700000        0.07284780
      156.34000000        0.24613000
       50.06830000        0.48591400
       17.01780000        0.32500200

     SP   6
      292.71800000       -0.00278094        0.00443826
       69.87310000       -0.03571460        0.03266790
       22.33630000       -0.11498500        0.13472100
        8.15039000        0.09356340        0.32867800
        3.13458000        0.60301700        0.44964000
        1.22543000        0.41895900        0.26137200

     SP   3
        1.72738000       -0.24463000       -0.01779510
        0.57292200        0.00431572        0.25353900
        0.22219200        1.09818000        0.80066900

     SP   1
        0.07783690

 P  6-31G DGauss4.0 

     4 shells

     S   6
    19413.30000000        0.00185160
     2909.42000000        0.01420620
      661.36400000        0.06999950
      185.75900000        0.24007900
       59.19430000        0.48476200
       20.03100000        0.33520000

     SP   6
      339.47800000       -0.00278217        0.00456462
       81.01010000       -0.03604990        0.03369360
       25.87800000       -0.11663100        0.13975500
        9.45221000        0.09683280        0.33936200
        3.66566000        0.61441800        0.45092100
        1.46746000        0.40379800        0.23858600

     SP   3
        2.15623000       -0.25292300       -0.01776530
        0.74899700        0.03285170        0.27405800
        0.28314500        1.08125000        0.78542100

     SP   1
        0.09983170

 S  6-31G DGauss4.0 

     4 shells

     S   6
    21917.10000000        0.00186900
     3301.49000000        0.01423000
      754.14600000        0.06969600
      212.71100000        0.23848700
       67.98960000        0.48330700
       23.05150000        0.33807400

     SP   6
      423.73500000       -0.00237670        0.00406100
      100.71000000       -0.03169300        0.03068100
       32.15990000       -0.11331700        0.13045200
       11.80790000        0.05609000        0.32720500
        4.63110000        0.59225500        0.45285100
        1.87025000        0.45500600        0.25604200

     SP   3
        2.61584000       -0.25037400       -0.01451100
        0.92216700        0.06695700        0.31026300
        0.34128700        1.05451000        0.75448300

     SP   1
        0.11716700

 Cl 6-31G DGauss4.0 

     4 shells

     S   6
    25180.10000000        0.00183300
     3780.35000000        0.01403400
      860.47400000        0.06909700
      242.14500000        0.23745200
       77.33490000        0.48303400
       26.24700000        0.33985600

     SP   6
      491.76500000       -0.00229740        0.00398940
      116.98400000       -0.03071400        0.03031800
       37.41530000       -0.11252800        0.12988000
       13.78340000        0.04501600        0.32795100
        5.45215000        0.58935300        0.45352700
        2.22588000        0.46520600        0.25215400

     SP   3
        3.18649000       -0.25183000       -0.01429900
        1.14427000        0.06158900        0.32357200
        0.42037700        1.06018000        0.74350700

     SP   1
        0.14265700

 Ar 6-31G DGauss4.0 

     4 shells

     S   6
    28348.30000000        0.00182526
     4257.62000000        0.01396860
      969.85700000        0.06870730
      273.26300000        0.23620400
       87.36950000        0.48221400
       29.68670000        0.34204300

     SP   6
      575.89100000       -0.00215972        0.00380665
      136.81600000       -0.02907750        0.02923050
       43.80980000       -0.11082700        0.12646700
       16.20940000        0.02769990        0.32351000
        6.46084000        0.57761300        0.45489600
        2.65114000        0.48868800        0.25663000

     SP   3
        3.86028000       -0.25559200       -0.01591970
        1.41373000        0.03780660        0.32464600
        0.51664600        1.08056000        0.74399000

     SP   1
        0.17388800
#
#
#                         6-31G*
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  6-31G* DGauss4.0 

     2 shells

     S   3
       18.73113700        0.03349460
        2.82539370        0.23472695
        0.64012170        0.81375733

     S   1
        0.16127780

 He 6-31G* DGauss4.0 

     2 shells

     S   3
       38.42163400        0.02376600
        5.77803000        0.15467900
        1.24177400        0.46963000

     S   1
        0.29796400

 Li 6-31G* DGauss4.0 

     4 shells

     S   6
      642.41892000        0.00214260
       96.79851500        0.01620890
       22.09112100        0.07731560
        6.20107030        0.24578600
        1.93511770        0.47018900
        0.63673580        0.34547080

     SP   3
        2.32491840       -0.03509170        0.00894150
        0.63243060       -0.19123280        0.14100950
        0.07905340        1.08398780        0.94536370

     SP   1
        0.03596200

     D   1
        0.20000000

 Be 6-31G* DGauss4.0 

     4 shells

     S   6
     1264.58570000        0.00194480
      189.93681000        0.01483510
       43.15908900        0.07209060
       12.09866300        0.23715420
        3.80632320        0.46919870
        1.27289030        0.35652020

     SP   3
        3.19646310       -0.11264870        0.05598020
        0.74781330       -0.22950640        0.26155060
        0.21996630        1.18691670        0.79397230

     SP   1
        0.08230990

     D   1
        0.40000000

 B  6-31G* DGauss4.0 

     4 shells

     S   6
     2068.88230000        0.00186630
      310.64957000        0.01425150
       70.68303300        0.06955160
       19.86108000        0.23257290
        6.29930480        0.46707870
        2.12702700        0.36343140

     SP   3
        4.72797100       -0.13039380        0.07459760
        1.19033770       -0.13078890        0.30784670
        0.35941170        1.13094440        0.74345680

     SP   1
        0.12675120

     D   1
        0.60000000

 C  6-31G* DGauss4.0 

     4 shells

     S   6
     3047.52490000        0.00183470
      457.36951000        0.01403730
      103.94869000        0.06884260
       29.21015500        0.23218440
        9.28666300        0.46794130
        3.16392700        0.36231200

     SP   3
        7.86827240       -0.11933240        0.06899910
        1.88128850       -0.16085420        0.31642400
        0.54424930        1.14345640        0.74430830

     SP   1
        0.16871440

     D   1
        0.80000000

 N  6-31G* DGauss4.0 

     4 shells

     S   6
     4173.51100000        0.00183480
      627.45790000        0.01399500
      142.90210000        0.06858700
       40.23433000        0.23224100
       12.82021000        0.46907000
        4.39043700        0.36045500

     SP   3
       11.62635800       -0.11496100        0.06758000
        2.71628000       -0.16911800        0.32390700
        0.77221800        1.14585200        0.74089500

     SP   1
        0.21203130

     D   1
        0.80000000

 O  6-31G* DGauss4.0 

     4 shells

     S   6
     5484.67170000        0.00183110
      825.23495000        0.01395010
      188.04696000        0.06844510
       52.96450000        0.23271430
       16.89757000        0.47019300
        5.79963530        0.35852090

     SP   3
       15.53961600       -0.11077750        0.07087430
        3.59993360       -0.14802630        0.33975280
        1.01376180        1.13076700        0.72715860

     SP   1
        0.27000580

     D   1
        0.80000000

 F  6-31G* DGauss4.0 

     4 shells

     S   6
     7001.71309000        0.00181962
     1051.36609000        0.01391608
      239.28569000        0.06840532
       67.39744530        0.23318576
       21.51995730        0.47126744
        7.40310130        0.35661855

     SP   3
       20.84795280       -0.10850698        0.07162872
        4.80830834       -0.14645166        0.34591210
        1.34406986        1.12868858        0.72246996

     SP   1
        0.35815139

     D   1
        0.80000000

 Ne 6-31G* DGauss4.0 

     4 shells

     S   6
     8425.85153000        0.00188435
     1268.51940000        0.01433690
      289.62141400        0.07010962
       81.85900400        0.23737327
       26.25150790        0.47300713
        9.09472051        0.34840124

     SP   3
       26.53213100       -0.10711829        0.07190959
        6.10175501       -0.14616382        0.34951337
        1.69627153        1.12777350        0.71994051

     SP   1
        0.44581870

     D   1
        0.80000000

 Na 6-31G* DGauss4.0 

     5 shells

     S   6
     9993.20000000        0.00193770
     1499.89000000        0.01480700
      341.95100000        0.07270600
       94.67970000        0.25262900
       29.73450000        0.49324200
       10.00630000        0.31316900

     SP   6
      150.96300000       -0.00354210        0.00500170
       35.58780000       -0.04395900        0.03551100
       11.16830000       -0.10975210        0.14282500
        3.90201000        0.18739800        0.33862000
        1.38177000        0.64669900        0.45157900
        0.46638200        0.30605800        0.27327100

     SP   3
        0.49796600       -0.24850300       -0.02302300
        0.08435300       -0.13170400        0.95035900
        0.06663500        1.23352000        0.05985800

     SP   1
        0.02595440

     D   1
        0.17500000

 Mg 6-31G* DGauss4.0 

     5 shells

     S   6
    11722.80000000        0.00197780
     1759.93000000        0.01511400
      400.84600000        0.07391100
      112.80700000        0.24919100
       35.99970000        0.48792800
       12.18280000        0.31966200

     SP   6
      189.18000000       -0.00323720        0.00492810
       45.21190000       -0.04100800        0.03498900
       14.35630000       -0.11260000        0.14072500
        5.13886000        0.14863300        0.33364200
        1.90652000        0.61649700        0.44494000
        0.70588700        0.36482900        0.26925400

     SP   3
        0.92934000       -0.21229000       -0.02241900
        0.26903500       -0.10798500        0.19227000
        0.11737900        1.17584000        0.84618100

     SP   1
        0.04210610

     D   1
        0.17500000

 Al 6-31G* DGauss4.0 

     5 shells

     S   6
    13983.10000000        0.00194267
     2098.75000000        0.01485990
      477.70500000        0.07284940
      134.36000000        0.24683000
       42.87090000        0.48725800
       14.51890000        0.32349600

     SP   6
      239.66800000       -0.00292619        0.00460285
       57.44190000       -0.03740800        0.03319900
       18.28590000       -0.11448700        0.13628200
        6.59914000        0.11563500        0.33047600
        2.49049000        0.61259500        0.44914600
        0.94454000        0.39379900        0.26570400

     SP   3
        1.27790000       -0.22760600       -0.01751300
        0.39759000        0.00144583        0.24453300
        0.16009500        1.09279000        0.80493400

     SP   1
        0.05565770

     D   1
        0.32500000

 Si 6-31G* DGauss4.0 

     5 shells

     S   6
    16115.90000000        0.00195948
     2425.58000000        0.01492880
      553.86700000        0.07284780
      156.34000000        0.24613000
       50.06830000        0.48591400
       17.01780000        0.32500200

     SP   6
      292.71800000       -0.00278094        0.00443826
       69.87310000       -0.03571460        0.03266790
       22.33630000       -0.11498500        0.13472100
        8.15039000        0.09356340        0.32867800
        3.13458000        0.60301700        0.44964000
        1.22543000        0.41895900        0.26137200

     SP   3
        1.72738000       -0.24463000       -0.01779510
        0.57292200        0.00431572        0.25353900
        0.22219200        1.09818000        0.80066900

     SP   1
        0.07783690

     D   1
        0.45000000

 P  6-31G* DGauss4.0 

     5 shells

     S   6
    19413.30000000        0.00185160
     2909.42000000        0.01420620
      661.36400000        0.06999950
      185.75900000        0.24007900
       59.19430000        0.48476200
       20.03100000        0.33520000

     SP   6
      339.47800000       -0.00278217        0.00456462
       81.01010000       -0.03604990        0.03369360
       25.87800000       -0.11663100        0.13975500
        9.45221000        0.09683280        0.33936200
        3.66566000        0.61441800        0.45092100
        1.46746000        0.40379800        0.23858600

     SP   3
        2.15623000       -0.25292300       -0.01776530
        0.74899700        0.03285170        0.27405800
        0.28314500        1.08125000        0.78542100

     SP   1
        0.09983170

     D   1
        0.55000000

 S  6-31G* DGauss4.0 

     5 shells

     S   6
    21917.10000000        0.00186900
     3301.49000000        0.01423000
      754.14600000        0.06969600
      212.71100000        0.23848700
       67.98960000        0.48330700
       23.05150000        0.33807400

     SP   6
      423.73500000       -0.00237670        0.00406100
      100.71000000       -0.03169300        0.03068100
       32.15990000       -0.11331700        0.13045200
       11.80790000        0.05609000        0.32720500
        4.63110000        0.59225500        0.45285100
        1.87025000        0.45500600        0.25604200

     SP   3
        2.61584000       -0.25037400       -0.01451100
        0.92216700        0.06695700        0.31026300
        0.34128700        1.05451000        0.75448300

     SP   1
        0.11716700

     D   1
        0.65000000

 Cl 6-31G* DGauss4.0 

     5 shells

     S   6
    25180.10000000        0.00183300
     3780.35000000        0.01403400
      860.47400000        0.06909700
      242.14500000        0.23745200
       77.33490000        0.48303400
       26.24700000        0.33985600

     SP   6
      491.76500000       -0.00229740        0.00398940
      116.98400000       -0.03071400        0.03031800
       37.41530000       -0.11252800        0.12988000
       13.78340000        0.04501600        0.32795100
        5.45215000        0.58935300        0.45352700
        2.22588000        0.46520600        0.25215400

     SP   3
        3.18649000       -0.25183000       -0.01429900
        1.14427000        0.06158900        0.32357200
        0.42037700        1.06018000        0.74350700

     SP   1
        0.14265700

     D   1
        0.75000000

 Ar 6-31G* DGauss4.0 

     5 shells

     S   6
    28348.30000000        0.00182526
     4257.62000000        0.01396860
      969.85700000        0.06870730
      273.26300000        0.23620400
       87.36950000        0.48221400
       29.68670000        0.34204300

     SP   6
      575.89100000       -0.00215972        0.00380665
      136.81600000       -0.02907750        0.02923050
       43.80980000       -0.11082700        0.12646700
       16.20940000        0.02769990        0.32351000
        6.46084000        0.57761300        0.45489600
        2.65114000        0.48868800        0.25663000

     SP   3
        3.86028000       -0.25559200       -0.01591970
        1.41373000        0.03780660        0.32464600
        0.51664600        1.08056000        0.74399000

     SP   1
        0.17388800

     D   1
        0.85000000
#
#
#                         6-31G**
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  6-31G** DGauss4.0 

     3 shells

     S   3
       18.73113700        0.03349460
        2.82539370        0.23472695
        0.64012170        0.81375733

     S   1
        0.16127780

     P   1
        1.10000000

 He 6-31G** DGauss4.0 

     3 shells

     S   3
       38.42163400        0.02376600
        5.77803000        0.15467900
        1.24177400        0.46963000

     S   1
        0.29796400

     P   1
        1.10000000

 Li 6-31G** DGauss4.0 

     4 shells

     S   6
      642.41892000        0.00214260
       96.79851500        0.01620890
       22.09112100        0.07731560
        6.20107030        0.24578600
        1.93511770        0.47018900
        0.63673580        0.34547080

     SP   3
        2.32491840       -0.03509170        0.00894150
        0.63243060       -0.19123280        0.14100950
        0.07905340        1.08398780        0.94536370

     SP   1
        0.03596200

     D   1
        0.20000000

 Be 6-31G** DGauss4.0 

     4 shells

     S   6
     1264.58570000        0.00194480
      189.93681000        0.01483510
       43.15908900        0.07209060
       12.09866300        0.23715420
        3.80632320        0.46919870
        1.27289030        0.35652020

     SP   3
        3.19646310       -0.11264870        0.05598020
        0.74781330       -0.22950640        0.26155060
        0.21996630        1.18691670        0.79397230

     SP   1
        0.08230990

     D   1
        0.40000000

 B  6-31G** DGauss4.0 

     4 shells

     S   6
     2068.88230000        0.00186630
      310.64957000        0.01425150
       70.68303300        0.06955160
       19.86108000        0.23257290
        6.29930480        0.46707870
        2.12702700        0.36343140

     SP   3
        4.72797100       -0.13039380        0.07459760
        1.19033770       -0.13078890        0.30784670
        0.35941170        1.13094440        0.74345680

     SP   1
        0.12675120

     D   1
        0.60000000

 C  6-31G** DGauss4.0 

     4 shells

     S   6
     3047.52490000        0.00183470
      457.36951000        0.01403730
      103.94869000        0.06884260
       29.21015500        0.23218440
        9.28666300        0.46794130
        3.16392700        0.36231200

     SP   3
        7.86827240       -0.11933240        0.06899910
        1.88128850       -0.16085420        0.31642400
        0.54424930        1.14345640        0.74430830

     SP   1
        0.16871440

     D   1
        0.80000000

 N  6-31G** DGauss4.0 

     4 shells

     S   6
     4173.51100000        0.00183480
      627.45790000        0.01399500
      142.90210000        0.06858700
       40.23433000        0.23224100
       12.82021000        0.46907000
        4.39043700        0.36045500

     SP   3
       11.62635800       -0.11496100        0.06758000
        2.71628000       -0.16911800        0.32390700
        0.77221800        1.14585200        0.74089500

     SP   1
        0.21203130

     D   1
        0.80000000

 O  6-31G** DGauss4.0 

     4 shells

     S   6
     5484.67170000        0.00183110
      825.23495000        0.01395010
      188.04696000        0.06844510
       52.96450000        0.23271430
       16.89757000        0.47019300
        5.79963530        0.35852090

     SP   3
       15.53961600       -0.11077750        0.07087430
        3.59993360       -0.14802630        0.33975280
        1.01376180        1.13076700        0.72715860

     SP   1
        0.27000580

     D   1
        0.80000000

 F  6-31G** DGauss4.0 

     4 shells

     S   6
     7001.71309000        0.00181962
     1051.36609000        0.01391608
      239.28569000        0.06840532
       67.39744530        0.23318576
       21.51995730        0.47126744
        7.40310130        0.35661855

     SP   3
       20.84795280       -0.10850698        0.07162872
        4.80830834       -0.14645166        0.34591210
        1.34406986        1.12868858        0.72246996

     SP   1
        0.35815139

     D   1
        0.80000000

 Ne 6-31G** DGauss4.0 

     4 shells

     S   6
     8425.85153000        0.00188435
     1268.51940000        0.01433690
      289.62141400        0.07010962
       81.85900400        0.23737327
       26.25150790        0.47300713
        9.09472051        0.34840124

     SP   3
       26.53213100       -0.10711829        0.07190959
        6.10175501       -0.14616382        0.34951337
        1.69627153        1.12777350        0.71994051

     SP   1
        0.44581870

     D   1
        0.80000000

 Na 6-31G** DGauss4.0 

     5 shells

     S   6
     9993.20000000        0.00193770
     1499.89000000        0.01480700
      341.95100000        0.07270600
       94.67970000        0.25262900
       29.73450000        0.49324200
       10.00630000        0.31316900

     SP   6
      150.96300000       -0.00354210        0.00500170
       35.58780000       -0.04395900        0.03551100
       11.16830000       -0.10975210        0.14282500
        3.90201000        0.18739800        0.33862000
        1.38177000        0.64669900        0.45157900
        0.46638200        0.30605800        0.27327100

     SP   3
        0.49796600       -0.24850300       -0.02302300
        0.08435300       -0.13170400        0.95035900
        0.06663500        1.23352000        0.05985800

     SP   1
        0.02595440

     D   1
        0.17500000

 Mg 6-31G** DGauss4.0 

     5 shells

     S   6
    11722.80000000        0.00197780
     1759.93000000        0.01511400
      400.84600000        0.07391100
      112.80700000        0.24919100
       35.99970000        0.48792800
       12.18280000        0.31966200

     SP   6
      189.18000000       -0.00323720        0.00492810
       45.21190000       -0.04100800        0.03498900
       14.35630000       -0.11260000        0.14072500
        5.13886000        0.14863300        0.33364200
        1.90652000        0.61649700        0.44494000
        0.70588700        0.36482900        0.26925400

     SP   3
        0.92934000       -0.21229000       -0.02241900
        0.26903500       -0.10798500        0.19227000
        0.11737900        1.17584000        0.84618100

     SP   1
        0.04210610

     D   1
        0.17500000

 Al 6-31G** DGauss4.0 

     5 shells

     S   6
    13983.10000000        0.00194267
     2098.75000000        0.01485990
      477.70500000        0.07284940
      134.36000000        0.24683000
       42.87090000        0.48725800
       14.51890000        0.32349600

     SP   6
      239.66800000       -0.00292619        0.00460285
       57.44190000       -0.03740800        0.03319900
       18.28590000       -0.11448700        0.13628200
        6.59914000        0.11563500        0.33047600
        2.49049000        0.61259500        0.44914600
        0.94454000        0.39379900        0.26570400

     SP   3
        1.27790000       -0.22760600       -0.01751300
        0.39759000        0.00144583        0.24453300
        0.16009500        1.09279000        0.80493400

     SP   1
        0.05565770

     D   1
        0.32500000

 Si 6-31G** DGauss4.0 

     5 shells

     S   6
    16115.90000000        0.00195948
     2425.58000000        0.01492880
      553.86700000        0.07284780
      156.34000000        0.24613000
       50.06830000        0.48591400
       17.01780000        0.32500200

     SP   6
      292.71800000       -0.00278094        0.00443826
       69.87310000       -0.03571460        0.03266790
       22.33630000       -0.11498500        0.13472100
        8.15039000        0.09356340        0.32867800
        3.13458000        0.60301700        0.44964000
        1.22543000        0.41895900        0.26137200

     SP   3
        1.72738000       -0.24463000       -0.01779510
        0.57292200        0.00431572        0.25353900
        0.22219200        1.09818000        0.80066900

     SP   1
        0.07783690

     D   1
        0.45000000

 P  6-31G** DGauss4.0 

     5 shells

     S   6
    19413.30000000        0.00185160
     2909.42000000        0.01420620
      661.36400000        0.06999950
      185.75900000        0.24007900
       59.19430000        0.48476200
       20.03100000        0.33520000

     SP   6
      339.47800000       -0.00278217        0.00456462
       81.01010000       -0.03604990        0.03369360
       25.87800000       -0.11663100        0.13975500
        9.45221000        0.09683280        0.33936200
        3.66566000        0.61441800        0.45092100
        1.46746000        0.40379800        0.23858600

     SP   3
        2.15623000       -0.25292300       -0.01776530
        0.74899700        0.03285170        0.27405800
        0.28314500        1.08125000        0.78542100

     SP   1
        0.09983170

     D   1
        0.55000000

 S  6-31G** DGauss4.0 

     5 shells

     S   6
    21917.10000000        0.00186900
     3301.49000000        0.01423000
      754.14600000        0.06969600
      212.71100000        0.23848700
       67.98960000        0.48330700
       23.05150000        0.33807400

     SP   6
      423.73500000       -0.00237670        0.00406100
      100.71000000       -0.03169300        0.03068100
       32.15990000       -0.11331700        0.13045200
       11.80790000        0.05609000        0.32720500
        4.63110000        0.59225500        0.45285100
        1.87025000        0.45500600        0.25604200

     SP   3
        2.61584000       -0.25037400       -0.01451100
        0.92216700        0.06695700        0.31026300
        0.34128700        1.05451000        0.75448300

     SP   1
        0.11716700

     D   1
        0.65000000

 Cl 6-31G** DGauss4.0 

     5 shells

     S   6
    25180.10000000        0.00183300
     3780.35000000        0.01403400
      860.47400000        0.06909700
      242.14500000        0.23745200
       77.33490000        0.48303400
       26.24700000        0.33985600

     SP   6
      491.76500000       -0.00229740        0.00398940
      116.98400000       -0.03071400        0.03031800
       37.41530000       -0.11252800        0.12988000
       13.78340000        0.04501600        0.32795100
        5.45215000        0.58935300        0.45352700
        2.22588000        0.46520600        0.25215400

     SP   3
        3.18649000       -0.25183000       -0.01429900
        1.14427000        0.06158900        0.32357200
        0.42037700        1.06018000        0.74350700

     SP   1
        0.14265700

     D   1
        0.75000000

 Ar 6-31G** DGauss4.0 

     5 shells

     S   6
    28348.30000000        0.00182526
     4257.62000000        0.01396860
      969.85700000        0.06870730
      273.26300000        0.23620400
       87.36950000        0.48221400
       29.68670000        0.34204300

     SP   6
      575.89100000       -0.00215972        0.00380665
      136.81600000       -0.02907750        0.02923050
       43.80980000       -0.11082700        0.12646700
       16.20940000        0.02769990        0.32351000
        6.46084000        0.57761300        0.45489600
        2.65114000        0.48868800        0.25663000

     SP   3
        3.86028000       -0.25559200       -0.01591970
        1.41373000        0.03780660        0.32464600
        0.51664600        1.08056000        0.74399000

     SP   1
        0.17388800

     D   1
        0.85000000
#
#
#                         6-311G
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  6-311G DGauss4.0 

     3 shells

     S   3
       33.86500000        0.02549380
        5.09479000        0.19037300
        1.15879000        0.85216100

     S   1
        0.32584000

     S   1
        0.10274100

 He 6-311G DGauss4.0 

     3 shells

     S   3
       98.12430000        0.02874520
       14.76890000        0.20806100
        3.31883000        0.83763500

     S   1
        0.87404700

     S   1
        0.24456400

 Li 6-311G DGauss4.0 

     4 shells

     S   6
      900.46000000        0.00228704
      134.43300000        0.01763500
       30.43650000        0.08734340
        8.62639000        0.28097700
        2.48332000        0.65874100
        0.30317900        0.11871200

     SP   3
        4.86890000        0.09332930        0.03276610
        0.85692400        0.94304500        0.15979200
        0.24322700       -0.00279827        0.88566700

     SP   1
        0.06350700

     SP   1
        0.02436830

 Be 6-311G DGauss4.0 

     4 shells

     S   6
     1682.80000000        0.00228574
      251.71500000        0.01759380
       57.41160000        0.08633150
       16.51710000        0.28183500
        4.85364000        0.64059400
        0.62686300        0.14446700

     SP   3
        8.30938000        0.10862100        0.03613440
        1.74075000        0.92730100        0.21695800
        0.48581600       -0.00297169        0.84183900

     SP   1
        0.16361300

     SP   1
        0.05672850

 B  6-311G DGauss4.0 

     4 shells

     S   6
     2858.89000000        0.00215375
      428.14000000        0.01658230
       97.52820000        0.08218700
       27.96930000        0.27661800
        8.21577000        0.62931600
        1.11278000        0.17377000

     SP   3
       13.24150000        0.11744300        0.04181000
        3.00166000        0.91800200        0.23657500
        0.91285600       -0.00265105        0.81621400

     SP   1
        0.31545400

     SP   1
        0.09885630

 C  6-311G DGauss4.0 

     4 shells

     S   6
     4563.24000000        0.00196665
      682.02400000        0.01523060
      154.97300000        0.07612690
       44.45530000        0.26080100
       13.02900000        0.61646200
        1.82773000        0.22100600

     SP   3
       20.96420000        0.11466000        0.04024870
        4.80331000        0.91999900        0.23759400
        1.45933000       -0.00303068        0.81585400

     SP   1
        0.48345600

     SP   1
        0.14558500

 N  6-311G DGauss4.0 

     4 shells

     S   6
     6293.48000000        0.00196979
      949.04400000        0.01496130
      218.77600000        0.07350060
       63.69160000        0.24893700
       18.82820000        0.60246000
        2.72023000        0.25620200

     SP   3
       30.63310000        0.11190600        0.03831190
        7.02614000        0.92166600        0.23740300
        2.11205000       -0.00256919        0.81759200

     SP   1
        0.68400900

     SP   1
        0.20087800

 O  6-311G DGauss4.0 

     4 shells

     S   6
     8588.50000000        0.00189515
     1297.23000000        0.01438590
      299.29600000        0.07073200
       87.37710000        0.24000100
       25.67890000        0.59479700
        3.74004000        0.28080200

     SP   3
       42.11750000        0.11388900        0.03651140
        9.62837000        0.92081100        0.23715300
        2.85332000       -0.00327447        0.81970200

     SP   1
        0.90566100

     SP   1
        0.25561100

 F  6-311G DGauss4.0 

     4 shells

     S   6
    11427.10000000        0.00180093
     1722.35000000        0.01374190
      395.74600000        0.06813340
      115.13900000        0.23332500
       33.60260000        0.58908600
        4.91901000        0.29950500

     SP   3
       55.44410000        0.11453600        0.03546090
       12.63230000        0.92051200        0.23745100
        3.71756000       -0.00337804        0.82045800

     SP   1
        1.16545000

     SP   1
        0.32189200

 Ne 6-311G DGauss4.0 

     4 shells

     S   6
    13995.70000000        0.00183276
     2117.10000000        0.01388270
      490.42500000        0.06806870
      143.83300000        0.23132800
       41.92650000        0.58589000
        6.15684000        0.30588300

     SP   3
       69.12110000        0.11914900        0.03565740
       15.83500000        0.91737500        0.23947700
        4.67326000       -0.00405839        0.81846100

     SP   1
        1.45756000

     SP   1
        0.39705700

 Na 6-311G DGauss4.0 

    11 shells

     S   6
    36166.40000000        0.00103200
     5372.58000000        0.00807100
     1213.21000000        0.04212900
      339.62300000        0.16978900
      109.55300000        0.51462100
       38.77730000        0.37981700

     S   3
       38.77730000        0.37476200
       14.57590000        0.57576900
        5.26993000        0.11293300

     S   1
        1.82777000

     S   1
        0.61994800

     S   1
        0.05724000

     S   1
        0.02404800

     P   4
      144.64500000        1.00000000
       33.90740000        1.00000000
       10.62850000        1.00000000
        3.82389000        1.00000000

     P   2
        1.44429000        0.01148500
        0.55262100        0.08238300

     P   1
        0.18872000

     P   1
        0.04650100

     P   1
        0.01628500

 Mg 6-311G DGauss4.0 

    11 shells

     S   6
    43866.50000000        0.00091800
     6605.37000000        0.00704700
     1513.26000000        0.03594100
      432.31700000        0.14146100
      142.14900000        0.42676400
       51.39830000        0.49797500

     S   3
       51.39830000        0.25135500
       19.91960000        0.61867100
        8.02474000        0.18841700

     S   1
        2.50817000

     S   1
        0.87153100

     S   1
        0.10818800

     S   1
        0.04013000

     P   4
      193.85400000        1.00000000
       45.44200000        1.00000000
       14.18640000        1.00000000
        5.05751000        1.00000000

     P   2
        1.88861000        0.01018800
        0.72265200        0.07536000

     P   1
        0.23641700

     P   1
        0.09335800

     P   1
        0.03480900

 Al 6-311G DGauss4.0 

    11 shells

     S   6
    54866.48900000        0.00083900
     8211.76650000        0.00652700
     1866.17610000        0.03366600
      531.12934000        0.13290200
      175.11797000        0.40126600
       64.00550000        0.53133800

     S   3
       64.00550000        0.20230500
       25.29250700        0.62479000
       10.53491000        0.22743900

     S   1
        3.20671100

     S   1
        1.15255500

     S   1
        0.17667800

     S   1
        0.65237000

     P   4
      259.28362000        1.00000000
       61.07687000        1.00000000
       19.30323700        1.00000000
        7.01088200        1.00000000

     P   2
        2.67386500        0.00944800
        1.03659600        0.07097400

     P   1
        0.31681900

     P   1
        0.11425700

     P   1
        0.04139700

 Si 6-311G DGauss4.0 

    11 shells

     S   6
    69379.23000000        0.00075700
    10354.94000000        0.00593200
     2333.87960000        0.03108800
      657.14295000        0.12496700
      214.30113000        0.38689700
       77.62916800        0.55488800

     S   3
       77.62916800        0.17788100
       30.63080700        0.62776500
       12.80129500        0.24762300

     S   1
        3.92686600

     S   1
        1.45234300

     S   1
        0.25623400

     S   1
        0.09427900

     P   4
      335.48319000        1.00000000
       78.90036600        1.00000000
       24.98815000        1.00000000
        9.21971100        1.00000000

     P   2
        3.62114000        0.00886600
        1.45131000        0.06829900

     P   1
        0.50497700

     P   1
        0.18631700

     P   1
        0.06543200

 P  6-311G DGauss4.0 

    11 shells

     S   6
    77492.40000000        0.00078100
    11605.80000000        0.00606800
     2645.96000000        0.03116000
     7549.76000000        0.12343100
      248.75500000        0.37820900
       91.15650000        0.56326200

     S   3
       91.15650000        0.16025500
       36.22570000        0.62764700
       15.21130000        0.26384900

     S   1
        4.79417000

     S   1
        1.80793000

     S   1
        0.35681600

     S   1
        0.11478300

     P   4
      384.84300000        1.00000000
       90.55210000        1.00000000
       29.13390000        1.00000000
       10.88620000        1.00000000

     P   2
        4.35259000        0.00920600
        1.77706000        0.06987400

     P   1
        0.69700500

     P   1
        0.25353200

     P   1
        0.06849300

 S  6-311G DGauss4.0 

    11 shells

     S   6
    93413.40000000        0.00074300
    13961.70000000        0.00579300
     3169.91000000        0.02995400
      902.45600000        0.11902800
      297.15800000        0.36843200
      108.70200000        0.57729900

     S   3
      108.70200000        0.14318600
       43.15530000        0.62446500
       18.10790000        0.28336600

     S   1
        5.56009000

     S   1
        2.13183000

     S   1
        0.42040300

     S   1
        0.13604500

     P   4
      495.04000000        1.00000000
      117.22100000        1.00000000
       37.77490000        1.00000000
       14.05840000        1.00000000

     P   2
        5.56574000        0.00830900
        2.26297000        0.06402400

     P   1
        0.80799400

     P   1
        0.27746000

     P   1
        0.07714100

 Cl 6-311G DGauss4.0 

    11 shells

     S   6
   105819.00000000        0.00073800
    15872.00000000        0.00571800
     3619.65000000        0.02949500
     1030.80000000        0.11728600
      339.90800000        0.36294900
      124.53800000        0.58414900

     S   3
      124.53800000        0.13417700
       49.51350000        0.62425000
       20.80560000        0.29175600

     S   1
        6.58346000

     S   1
        2.56468000

     S   1
        0.55976300

     S   1
        0.18327300

     P   5
      589.77600000        1.00000000
      139.84900000        1.00000000
       45.14130000        1.00000000
       16.87330000        1.00000000
        6.74110000        0.00239100

     P   2
        6.74110000        0.01850400
        2.77152000        0.08137700

     P   1
        1.02387000

     P   1
        0.38136800

     P   1
        0.10943700

 Ar 6-311G DGauss4.0 

    11 shells

     S   6
   118022.38000000        0.00074700
    17683.54100000        0.00579000
     4027.76570000        0.02991900
     1145.39770000        0.11920600
      377.16375000        0.36902800
      138.15969000        0.57645900

     S   3
      138.15969000        0.14392700
       54.98911700        0.62293800
       23.17066700        0.28396400

     S   1
        7.37786000

     S   1
        2.92368800

     S   1
        0.65040500

     S   1
        0.23282500

     P   5
      663.06201000        1.00000000
      157.09281000        1.00000000
       50.23110000        1.00000000
       18.63534500        1.00000000
        7.44653700        0.00308200

     P   2
        7.44653700        0.02416500
        3.09569800        0.10822300

     P   1
        1.10646300

     P   1
        0.41560100

     P   1
        0.14544900
#
#
#                         6-311G*
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  6-311G* DGauss4.0 

     3 shells

     S   3
       33.86500000        0.02549380
        5.09479000        0.19037300
        1.15879000        0.85216100

     S   1
        0.32584000

     S   1
        0.10274100

 He 6-311G* DGauss4.0 

     3 shells

     S   3
       98.12430000        0.02874520
       14.76890000        0.20806100
        3.31883000        0.83763500

     S   1
        0.87404700

     S   1
        0.24456400

 Li 6-311G* DGauss4.0 

     5 shells

     S   6
      900.46000000        0.00228704
      134.43300000        0.01763500
       30.43650000        0.08734340
        8.62639000        0.28097700
        2.48332000        0.65874100
        0.30317900        0.11871200

     SP   3
        4.86890000        0.09332930        0.03276610
        0.85692400        0.94304500        0.15979200
        0.24322700       -0.00279827        0.88566700

     SP   1
        0.06350700

     SP   1
        0.02436830

     D   1
        0.20000000

 Be 6-311G* DGauss4.0 

     5 shells

     S   6
     1682.80000000        0.00228574
      251.71500000        0.01759380
       57.41160000        0.08633150
       16.51710000        0.28183500
        4.85364000        0.64059400
        0.62686300        0.14446700

     SP   3
        8.30938000        0.10862100        0.03613440
        1.74075000        0.92730100        0.21695800
        0.48581600       -0.00297169        0.84183900

     SP   1
        0.16361300

     SP   1
        0.05672850

     D   1
        0.25500000

 B  6-311G* DGauss4.0 

     5 shells

     S   6
     2858.89000000        0.00215375
      428.14000000        0.01658230
       97.52820000        0.08218700
       27.96930000        0.27661800
        8.21577000        0.62931600
        1.11278000        0.17377000

     SP   3
       13.24150000        0.11744300        0.04181000
        3.00166000        0.91800200        0.23657500
        0.91285600       -0.00265105        0.81621400

     SP   1
        0.31545400

     SP   1
        0.09885630

     D   1
        0.40100000

 C  6-311G* DGauss4.0 

     5 shells

     S   6
     4563.24000000        0.00196665
      682.02400000        0.01523060
      154.97300000        0.07612690
       44.45530000        0.26080100
       13.02900000        0.61646200
        1.82773000        0.22100600

     SP   3
       20.96420000        0.11466000        0.04024870
        4.80331000        0.91999900        0.23759400
        1.45933000       -0.00303068        0.81585400

     SP   1
        0.48345600

     SP   1
        0.14558500

     D   1
        0.62600000

 N  6-311G* DGauss4.0 

     5 shells

     S   6
     6293.48000000        0.00196979
      949.04400000        0.01496130
      218.77600000        0.07350060
       63.69160000        0.24893700
       18.82820000        0.60246000
        2.72023000        0.25620200

     SP   3
       30.63310000        0.11190600        0.03831190
        7.02614000        0.92166600        0.23740300
        2.11205000       -0.00256919        0.81759200

     SP   1
        0.68400900

     SP   1
        0.20087800

     D   1
        0.91300000

 O  6-311G* DGauss4.0 

     5 shells

     S   6
     8588.50000000        0.00189515
     1297.23000000        0.01438590
      299.29600000        0.07073200
       87.37710000        0.24000100
       25.67890000        0.59479700
        3.74004000        0.28080200

     SP   3
       42.11750000        0.11388900        0.03651140
        9.62837000        0.92081100        0.23715300
        2.85332000       -0.00327447        0.81970200

     SP   1
        0.90566100

     SP   1
        0.25561100

     D   1
        1.29200000

 F  6-311G* DGauss4.0 

     5 shells

     S   6
    11427.10000000        0.00180093
     1722.35000000        0.01374190
      395.74600000        0.06813340
      115.13900000        0.23332500
       33.60260000        0.58908600
        4.91901000        0.29950500

     SP   3
       55.44410000        0.11453600        0.03546090
       12.63230000        0.92051200        0.23745100
        3.71756000       -0.00337804        0.82045800

     SP   1
        1.16545000

     SP   1
        0.32189200

     D   1
        1.75000000

 Ne 6-311G* DGauss4.0 

     5 shells

     S   6
    13995.70000000        0.00183276
     2117.10000000        0.01388270
      490.42500000        0.06806870
      143.83300000        0.23132800
       41.92650000        0.58589000
        6.15684000        0.30588300

     SP   3
       69.12110000        0.11914900        0.03565740
       15.83500000        0.91737500        0.23947700
        4.67326000       -0.00405839        0.81846100

     SP   1
        1.45756000

     SP   1
        0.39705700

     D   1
        2.30400000

 Na 6-311G* DGauss4.0 

    12 shells

     S   6
    36166.40000000        0.00103200
     5372.58000000        0.00807100
     1213.21000000        0.04212900
      339.62300000        0.16978900
      109.55300000        0.51462100
       38.77730000        0.37981700

     S   3
       38.77730000        0.37476200
       14.57590000        0.57576900
        5.26993000        0.11293300

     S   1
        1.82777000

     S   1
        0.61994800

     S   1
        0.05724000

     S   1
        0.02404800

     P   4
      144.64500000        1.00000000
       33.90740000        1.00000000
       10.62850000        1.00000000
        3.82389000        1.00000000

     P   2
        1.44429000        0.01148500
        0.55262100        0.08238300

     P   1
        0.18872000

     P   1
        0.04650100

     P   1
        0.01628500

     D   1
        0.17500000

 Mg 6-311G* DGauss4.0 

    12 shells

     S   6
    43866.50000000        0.00091800
     6605.37000000        0.00704700
     1513.26000000        0.03594100
      432.31700000        0.14146100
      142.14900000        0.42676400
       51.39830000        0.49797500

     S   3
       51.39830000        0.25135500
       19.91960000        0.61867100
        8.02474000        0.18841700

     S   1
        2.50817000

     S   1
        0.87153100

     S   1
        0.10818800

     S   1
        0.04013000

     P   4
      193.85400000        1.00000000
       45.44200000        1.00000000
       14.18640000        1.00000000
        5.05751000        1.00000000

     P   2
        1.88861000        0.01018800
        0.72265200        0.07536000

     P   1
        0.23641700

     P   1
        0.09335800

     P   1
        0.03480900

     D   1
        0.17500000

 Al 6-311G* DGauss4.0 

    12 shells

     S   6
    54866.48900000        0.00083900
     8211.76650000        0.00652700
     1866.17610000        0.03366600
      531.12934000        0.13290200
      175.11797000        0.40126600
       64.00550000        0.53133800

     S   3
       64.00550000        0.20230500
       25.29250700        0.62479000
       10.53491000        0.22743900

     S   1
        3.20671100

     S   1
        1.15255500

     S   1
        0.17667800

     S   1
        0.65237000

     P   4
      259.28362000        1.00000000
       61.07687000        1.00000000
       19.30323700        1.00000000
        7.01088200        1.00000000

     P   2
        2.67386500        0.00944800
        1.03659600        0.07097400

     P   1
        0.31681900

     P   1
        0.11425700

     P   1
        0.04139700

     D   1
        0.32500000

 Si 6-311G* DGauss4.0 

    12 shells

     S   6
    69379.23000000        0.00075700
    10354.94000000        0.00593200
     2333.87960000        0.03108800
      657.14295000        0.12496700
      214.30113000        0.38689700
       77.62916800        0.55488800

     S   3
       77.62916800        0.17788100
       30.63080700        0.62776500
       12.80129500        0.24762300

     S   1
        3.92686600

     S   1
        1.45234300

     S   1
        0.25623400

     S   1
        0.09427900

     P   4
      335.48319000        1.00000000
       78.90036600        1.00000000
       24.98815000        1.00000000
        9.21971100        1.00000000

     P   2
        3.62114000        0.00886600
        1.45131000        0.06829900

     P   1
        0.50497700

     P   1
        0.18631700

     P   1
        0.06543200

     D   1
        0.45000000

 P  6-311G* DGauss4.0 

    12 shells

     S   6
    77492.40000000        0.00078100
    11605.80000000        0.00606800
     2645.96000000        0.03116000
     7549.76000000        0.12343100
      248.75500000        0.37820900
       91.15650000        0.56326200

     S   3
       91.15650000        0.16025500
       36.22570000        0.62764700
       15.21130000        0.26384900

     S   1
        4.79417000

     S   1
        1.80793000

     S   1
        0.35681600

     S   1
        0.11478300

     P   4
      384.84300000        1.00000000
       90.55210000        1.00000000
       29.13390000        1.00000000
       10.88620000        1.00000000

     P   2
        4.35259000        0.00920600
        1.77706000        0.06987400

     P   1
        0.69700500

     P   1
        0.25353200

     P   1
        0.06849300

     D   1
        0.55000000

 S  6-311G* DGauss4.0 

    12 shells

     S   6
    93413.40000000        0.00074300
    13961.70000000        0.00579300
     3169.91000000        0.02995400
      902.45600000        0.11902800
      297.15800000        0.36843200
      108.70200000        0.57729900

     S   3
      108.70200000        0.14318600
       43.15530000        0.62446500
       18.10790000        0.28336600

     S   1
        5.56009000

     S   1
        2.13183000

     S   1
        0.42040300

     S   1
        0.13604500

     P   4
      495.04000000        1.00000000
      117.22100000        1.00000000
       37.77490000        1.00000000
       14.05840000        1.00000000

     P   2
        5.56574000        0.00830900
        2.26297000        0.06402400

     P   1
        0.80799400

     P   1
        0.27746000

     P   1
        0.07714100

     D   1
        0.65000000

 Cl 6-311G* DGauss4.0 

    12 shells

     S   6
   105819.00000000        0.00073800
    15872.00000000        0.00571800
     3619.65000000        0.02949500
     1030.80000000        0.11728600
      339.90800000        0.36294900
      124.53800000        0.58414900

     S   3
      124.53800000        0.13417700
       49.51350000        0.62425000
       20.80560000        0.29175600

     S   1
        6.58346000

     S   1
        2.56468000

     S   1
        0.55976300

     S   1
        0.18327300

     P   5
      589.77600000        1.00000000
      139.84900000        1.00000000
       45.14130000        1.00000000
       16.87330000        1.00000000
        6.74110000        0.00239100

     P   2
        6.74110000        0.01850400
        2.77152000        0.08137700

     P   1
        1.02387000

     P   1
        0.38136800

     P   1
        0.10943700

     D   1
        0.75000000

 Ar 6-311G* DGauss4.0 

    12 shells

     S   6
   118022.38000000        0.00074700
    17683.54100000        0.00579000
     4027.76570000        0.02991900
     1145.39770000        0.11920600
      377.16375000        0.36902800
      138.15969000        0.57645900

     S   3
      138.15969000        0.14392700
       54.98911700        0.62293800
       23.17066700        0.28396400

     S   1
        7.37786000

     S   1
        2.92368800

     S   1
        0.65040500

     S   1
        0.23282500

     P   5
      663.06201000        1.00000000
      157.09281000        1.00000000
       50.23110000        1.00000000
       18.63534500        1.00000000
        7.44653700        0.00308200

     P   2
        7.44653700        0.02416500
        3.09569800        0.10822300

     P   1
        1.10646300

     P   1
        0.41560100

     P   1
        0.14544900

     D   1
        0.85000000
#
#
#                         6-311G**
#                    Atomic Orbital
#                  Gaussian Basis Sets
#
#

 H  6-311G** DGauss4.0 

     4 shells

     S   3
       33.86500000        0.02549380
        5.09479000        0.19037300
        1.15879000        0.85216100

     S   1
        0.32584000

     S   1
        0.10274100

     P   1
        0.75000000

 He 6-311G** DGauss4.0 

     4 shells

     S   3
       98.12430000        0.02874520
       14.76890000        0.20806100
        3.31883000        0.83763500

     S   1
        0.87404700

     S   1
        0.24456400

     P   1
        0.75000000

 Li 6-311G** DGauss4.0 

     5 shells

     S   6
      900.46000000        0.00228704
      134.43300000        0.01763500
       30.43650000        0.08734340
        8.62639000        0.28097700
        2.48332000        0.65874100
        0.30317900        0.11871200

     SP   3
        4.86890000        0.09332930        0.03276610
        0.85692400        0.94304500        0.15979200
        0.24322700       -0.00279827        0.88566700

     SP   1
        0.06350700

     SP   1
        0.02436830

     D   1
        0.20000000

 Be 6-311G** DGauss4.0 

     5 shells

     S   6
     1682.80000000        0.00228574
      251.71500000        0.01759380
       57.41160000        0.08633150
       16.51710000        0.28183500
        4.85364000        0.64059400
        0.62686300        0.14446700

     SP   3
        8.30938000        0.10862100        0.03613440
        1.74075000        0.92730100        0.21695800
        0.48581600       -0.00297169        0.84183900

     SP   1
        0.16361300

     SP   1
        0.05672850

     D   1
        0.25500000

 B  6-311G** DGauss4.0 

     5 shells

     S   6
     2858.89000000        0.00215375
      428.14000000        0.01658230
       97.52820000        0.08218700
       27.96930000        0.27661800
        8.21577000        0.62931600
        1.11278000        0.17377000

     SP   3
       13.24150000        0.11744300        0.04181000
        3.00166000        0.91800200        0.23657500
        0.91285600       -0.00265105        0.81621400

     SP   1
        0.31545400

     SP   1
        0.09885630

     D   1
        0.40100000

 C  6-311G** DGauss4.0 

     5 shells

     S   6
     4563.24000000        0.00196665
      682.02400000        0.01523060
      154.97300000        0.07612690
       44.45530000        0.26080100
       13.02900000        0.61646200
        1.82773000        0.22100600

     SP   3
       20.96420000        0.11466000        0.04024870
        4.80331000        0.91999900        0.23759400
        1.45933000       -0.00303068        0.81585400

     SP   1
        0.48345600

     SP   1
        0.14558500

     D   1
        0.62600000

 N  6-311G** DGauss4.0 

     5 shells

     S   6
     6293.48000000        0.00196979
      949.04400000        0.01496130
      218.77600000        0.07350060
       63.69160000        0.24893700
       18.82820000        0.60246000
        2.72023000        0.25620200

     SP   3
       30.63310000        0.11190600        0.03831190
        7.02614000        0.92166600        0.23740300
        2.11205000       -0.00256919        0.81759200

     SP   1
        0.68400900

     SP   1
        0.20087800

     D   1
        0.91300000

 O  6-311G** DGauss4.0 

     5 shells

     S   6
     8588.50000000        0.00189515
     1297.23000000        0.01438590
      299.29600000        0.07073200
       87.37710000        0.24000100
       25.67890000        0.59479700
        3.74004000        0.28080200

     SP   3
       42.11750000        0.11388900        0.03651140
        9.62837000        0.92081100        0.23715300
        2.85332000       -0.00327447        0.81970200

     SP   1
        0.90566100

     SP   1
        0.25561100

     D   1
        1.29200000

 F  6-311G** DGauss4.0 

     5 shells

     S   6
    11427.10000000        0.00180093
     1722.35000000        0.01374190
      395.74600000        0.06813340
      115.13900000        0.23332500
       33.60260000        0.58908600
        4.91901000        0.29950500

     SP   3
       55.44410000        0.11453600        0.03546090
       12.63230000        0.92051200        0.23745100
        3.71756000       -0.00337804        0.82045800

     SP   1
        1.16545000

     SP   1
        0.32189200

     D   1
        1.75000000

 Ne 6-311G** DGauss4.0 

     5 shells

     S   6
    13995.70000000        0.00183276
     2117.10000000        0.01388270
      490.42500000        0.06806870
      143.83300000        0.23132800
       41.92650000        0.58589000
        6.15684000        0.30588300

     SP   3
       69.12110000        0.11914900        0.03565740
       15.83500000        0.91737500        0.23947700
        4.67326000       -0.00405839        0.81846100

     SP   1
        1.45756000

     SP   1
        0.39705700

     D   1
        2.30400000

 Na 6-311G** DGauss4.0 

    12 shells

     S   6
    36166.40000000        0.00103200
     5372.58000000        0.00807100
     1213.21000000        0.04212900
      339.62300000        0.16978900
      109.55300000        0.51462100
       38.77730000        0.37981700

     S   3
       38.77730000        0.37476200
       14.57590000        0.57576900
        5.26993000        0.11293300

     S   1
        1.82777000

     S   1
        0.61994800

     S   1
        0.05724000

     S   1
        0.02404800

     P   4
      144.64500000        1.00000000
       33.90740000        1.00000000
       10.62850000        1.00000000
        3.82389000        1.00000000

     P   2
        1.44429000        0.01148500
        0.55262100        0.08238300

     P   1
        0.18872000

     P   1
        0.04650100

     P   1
        0.01628500

     D   1
        0.17500000

 Mg 6-311G** DGauss4.0 

    12 shells

     S   6
    43866.50000000        0.00091800
     6605.37000000        0.00704700
     1513.26000000        0.03594100
      432.31700000        0.14146100
      142.14900000        0.42676400
       51.39830000        0.49797500

     S   3
       51.39830000        0.25135500
       19.91960000        0.61867100
        8.02474000        0.18841700

     S   1
        2.50817000

     S   1
        0.87153100

     S   1
        0.10818800

     S   1
        0.04013000

     P   4
      193.85400000        1.00000000
       45.44200000        1.00000000
       14.18640000        1.00000000
        5.05751000        1.00000000

     P   2
        1.88861000        0.01018800
        0.72265200        0.07536000

     P   1
        0.23641700

     P   1
        0.09335800

     P   1
        0.03480900

     D   1
        0.17500000

 Al 6-311G** DGauss4.0 

    12 shells

     S   6
    54866.48900000        0.00083900
     8211.76650000        0.00652700
     1866.17610000        0.03366600
      531.12934000        0.13290200
      175.11797000        0.40126600
       64.00550000        0.53133800

     S   3
       64.00550000        0.20230500
       25.29250700        0.62479000
       10.53491000        0.22743900

     S   1
        3.20671100

     S   1
        1.15255500

     S   1
        0.17667800

     S   1
        0.65237000

     P   4
      259.28362000        1.00000000
       61.07687000        1.00000000
       19.30323700        1.00000000
        7.01088200        1.00000000

     P   2
        2.67386500        0.00944800
        1.03659600        0.07097400

     P   1
        0.31681900

     P   1
        0.11425700

     P   1
        0.04139700

     D   1
        0.32500000

 Si 6-311G** DGauss4.0 

    12 shells

     S   6
    69379.23000000        0.00075700
    10354.94000000        0.00593200
     2333.87960000        0.03108800
      657.14295000        0.12496700
      214.30113000        0.38689700
       77.62916800        0.55488800

     S   3
       77.62916800        0.17788100
       30.63080700        0.62776500
       12.80129500        0.24762300

     S   1
        3.92686600

     S   1
        1.45234300

     S   1
        0.25623400

     S   1
        0.09427900

     P   4
      335.48319000        1.00000000
       78.90036600        1.00000000
       24.98815000        1.00000000
        9.21971100        1.00000000

     P   2
        3.62114000        0.00886600
        1.45131000        0.06829900

     P   1
        0.50497700

     P   1
        0.18631700

     P   1
        0.06543200

     D   1
        0.45000000

 P  6-311G** DGauss4.0 

    12 shells

     S   6
    77492.40000000        0.00078100
    11605.80000000        0.00606800
     2645.96000000        0.03116000
     7549.76000000        0.12343100
      248.75500000        0.37820900
       91.15650000        0.56326200

     S   3
       91.15650000        0.16025500
       36.22570000        0.62764700
       15.21130000        0.26384900

     S   1
        4.79417000

     S   1
        1.80793000

     S   1
        0.35681600

     S   1
        0.11478300

     P   4
      384.84300000        1.00000000
       90.55210000        1.00000000
       29.13390000        1.00000000
       10.88620000        1.00000000

     P   2
        4.35259000        0.00920600
        1.77706000        0.06987400

     P   1
        0.69700500

     P   1
        0.25353200

     P   1
        0.06849300

     D   1
        0.55000000

 S  6-311G** DGauss4.0 

    12 shells

     S   6
    93413.40000000        0.00074300
    13961.70000000        0.00579300
     3169.91000000        0.02995400
      902.45600000        0.11902800
      297.15800000        0.36843200
      108.70200000        0.57729900

     S   3
      108.70200000        0.14318600
       43.15530000        0.62446500
       18.10790000        0.28336600

     S   1
        5.56009000

     S   1
        2.13183000

     S   1
        0.42040300

     S   1
        0.13604500

     P   4
      495.04000000        1.00000000
      117.22100000        1.00000000
       37.77490000        1.00000000
       14.05840000        1.00000000

     P   2
        5.56574000        0.00830900
        2.26297000        0.06402400

     P   1
        0.80799400

     P   1
        0.27746000

     P   1
        0.07714100

     D   1
        0.65000000

 Cl 6-311G** DGauss4.0 

    12 shells

     S   6
   105819.00000000        0.00073800
    15872.00000000        0.00571800
     3619.65000000        0.02949500
     1030.80000000        0.11728600
      339.90800000        0.36294900
      124.53800000        0.58414900

     S   3
      124.53800000        0.13417700
       49.51350000        0.62425000
       20.80560000        0.29175600

     S   1
        6.58346000

     S   1
        2.56468000

     S   1
        0.55976300

     S   1
        0.18327300

     P   5
      589.77600000        1.00000000
      139.84900000        1.00000000
       45.14130000        1.00000000
       16.87330000        1.00000000
        6.74110000        0.00239100

     P   2
        6.74110000        0.01850400
        2.77152000        0.08137700

     P   1
        1.02387000

     P   1
        0.38136800

     P   1
        0.10943700

     D   1
        0.75000000

 Ar 6-311G** DGauss4.0 

    12 shells

     S   6
   118022.38000000        0.00074700
    17683.54100000        0.00579000
     4027.76570000        0.02991900
     1145.39770000        0.11920600
      377.16375000        0.36902800
      138.15969000        0.57645900

     S   3
      138.15969000        0.14392700
       54.98911700        0.62293800
       23.17066700        0.28396400

     S   1
        7.37786000

     S   1
        2.92368800

     S   1
        0.65040500

     S   1
        0.23282500

     P   5
      663.06201000        1.00000000
      157.09281000        1.00000000
       50.23110000        1.00000000
       18.63534500        1.00000000
        7.44653700        0.00308200

     P   2
        7.44653700        0.02416500
        3.09569800        0.10822300

     P   1
        1.10646300

     P   1
        0.41560100

     P   1
        0.14544900

     D   1
        0.85000000
#
#
#                         P1
#                    Charge Density
#                  Gaussian Basis Sets
#
#

 H  P1 DGauss4.0 

     3 shells

     S   1 
       16.00000000 

     S   1 
        1.60000000 

     S   1 
        0.32000000 

 He P1 DGauss4.0 

     3 shells

     S   1 
       30.00000000 

     S   1 
        3.00000000 

     S   1 
        0.60000000 

 Li P1 DGauss4.0 

    7 shells

     S   1 
      300.00000000 

     S   1 
       60.00000000 

     S   1 
       15.00000000 

     S   1 
        3.80000000 

     SPD   1 
        1.20000000 

     SPD   1 
        0.24000000 

     SPD   1 
        0.06000000 

 Be P1 DGauss4.0 

    7 shells

     S   1 
      666.00000000 

     S   1 
      133.00000000 

     S   1 
       33.30000000 

     S   1 
        8.30000000 

     SPD   1 
        2.60000000 

     SPD   1 
        0.52000000 

     SPD   1 
        0.13000000 

 B  P1 DGauss4.0 

    7 shells

     S   1 
     1024.00000000 

     S   1 
      205.00000000 

     S   1 
       51.00000000 

     S   1 
       12.80000000 

     SPD   1 
        3.20000000 

     SPD   1 
        0.80000000 

     SPD   1 
        0.20000000 

 C  P1 DGauss4.0 

    7 shells

     S   1 
     1520.00000000 

     S   1 
      304.00000000 

     S   1 
       76.00000000 

     S   1 
       19.00000000 

     SPD   1 
        6.00000000 

     SPD   1 
        1.20000000 

     SPD   1 
        0.30000000 

 N  P1 DGauss4.0 

    7 shells

     S   1 
     2250.00000000 

     S   1 
      450.00000000 

     S   1 
      112.60000000 

     S   1 
       28.20000000 

     SPD   1 
        8.80000000 

     SPD   1 
        1.76000000 

     SPD   1 
        0.44000000 

 O  P1 DGauss4.0 

    7 shells

     S   1 
     2860.00000000 

     S   1 
      573.00000000 

     S   1 
      143.00000000 

     S   1 
       35.80000000 

     SPD   1 
       11.20000000 

     SPD   1 
        2.24000000 

     SPD   1 
        0.56000000 

 F  P1 DGauss4.0 

    7 shells

     S   1 
     3680.00000000 

     S   1 
      737.00000000 

     S   1 
      184.00000000 

     S   1 
       46.00000000 

     SPD   1 
       14.40000000 

     SPD   1 
        2.88000000 

     SPD   1 
        0.72000000 

 Ne P1 DGauss4.0 

    7 shells

     S   1 
     4560.00000000 

     S   1 
      912.00000000 

     S   1 
      228.00000000 

     S   1 
       57.00000000 

     SPD   1 
       17.80000000 

     SPD   1 
        3.56000000 

     SPD   1 
        0.89000000 

 Na P1 DGauss4.0 

    9 shells

     S   1 
     4900.00000000 

     S   1 
      976.00000000 

     S   1 
      244.00000000 

     S   1 
       61.00000000 

     S   1 
       15.40000000 

     SPD   1 
        4.80000000 

     SPD   1 
        0.96000000 

     SPD   1 
        0.24000000 

     SPD   1 
        0.06000000 

 Mg P1 DGauss4.0 

    9 shells

     S   1 
     6560.00000000 

     S   1 
     1312.00000000 

     S   1 
      328.00000000 

     S   1 
       82.00000000 

     S   1 
       20.50000000 

     SPD   1 
        6.40000000 

     SPD   1 
        1.28000000 

     SPD   1 
        0.32000000 

     SPD   1 
        0.08000000 

 Al P1 DGauss4.0 

    9 shells

     S   1 
     9040.00000000 

     S   1 
     1808.00000000 

     S   1 
      452.00000000 

     S   1 
      113.00000000 

     S   1 
       28.20000000 

     SPD   1 
        8.80000000 

     SPD   1 
        1.76000000 

     SPD   1 
        0.44000000 

     SPD   1 
        0.11000000 

 Si P1 DGauss4.0 

    9 shells

     S   1 
    13100.00000000 

     S   1 
     2621.00000000 

     S   1 
      655.00000000 

     S   1 
      160.00000000 

     S   1 
       41.00000000 

     SPD   1 
       13.00000000 

     SPD   1 
        2.56000000 

     SPD   1 
        0.64000000 

     SPD   1 
        0.16000000 

 P  P1 DGauss4.0 

    9 shells

     S   1 
    16380.00000000 

     S   1 
     3277.00000000 

     S   1 
      820.00000000 

     S   1 
      205.00000000 

     S   1 
       51.00000000 

     SPD   1 
       16.00000000 

     SPD   1 
        3.20000000 

     SPD   1 
        0.80000000 

     SPD   1 
        0.20000000 

 S  P1 DGauss4.0 

    9 shells

     S   1 
    18880.00000000 

     S   1 
     3776.00000000 

     S   1 
      944.00000000 

     S   1 
      236.00000000 

     S   1 
       60.00000000 

     SPD   1 
       18.50000000 

     SPD   1 
        3.70000000 

     SPD   1 
        0.92000000 

     SPD   1 
        0.23000000 

 Cl P1 DGauss4.0 

    9 shells

     S   1 
    23760.00000000 

     S   1 
     4751.00000000 

     S   1 
     1188.00000000 

     S   1 
      297.00000000 

     S   1 
       74.20000000 

     SPD   1 
       23.20000000 

     SPD   1 
        4.64000000 

     SPD   1 
        1.16000000 

     SPD   1 
        0.29000000 

 Ar P1 DGauss4.0 

    9 shells

     S   1 
    28672.00000000 

     S   1 
     5734.00000000 

     S   1 
     1434.00000000 

     S   1 
      358.00000000 

     S   1 
       90.00000000 

     SPD   1 
       28.00000000 

     SPD   1 
        5.60000000 

     SPD   1 
        1.40000000 

     SPD   1 
        0.35000000 



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