!  m6-31G*  EMSL  Basis Set Exchange Library   7/29/18 8:28 AM
! Elements                             References
! --------                             ----------
! Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu : A.V. Mitin, J. Baker, P. Pulay, An improved 6-31G* basis set for first-row transition metals, J. Chem. Phys. 118, 7775 (2003).
! 



$DATA
SCANDIUM
S   6
  1  39088.980000000            0.00180326       
  2   5869.792000000            0.01380769       
  3   1336.910000000            0.06800396       
  4    376.603100000            0.23470990       
  5    120.467900000            0.48156900       
  6     40.980320000            0.34456520       
L   6
  1    786.285200000            0.00245186             0.00403953       
  2    186.887000000            0.03259579             0.03122570       
  3     60.009350000            0.12382420             0.13498330       
  4     22.258830000           -0.04359890             0.34247930       
  5      8.885149000           -0.61771810             0.46231130       
  6      3.609211000           -0.44328230             0.21775240       
L   6
  1     29.843550000           -0.00258630            -0.00609665       
  2      9.542383000            0.07188424            -0.02628884       
  3      4.056790000            0.25032600             0.05091001       
  4      1.704703000           -0.29910030             0.37980970       
  5      0.706234000           -0.74468180             0.51708830       
  6      0.279536000           -0.17997760             0.18297720       
L   3
  1      1.065609000            0.06482978            -0.29384400       
  2      0.425933000            0.32537560             0.09235323       
  3      0.076320000           -1.17080600             0.98479300       
L   1
  1      0.029594000            1.00000000             1.00000000       
D   3
  1      9.2389253773           0.1013495998     
  2      2.3061823929           0.4074937059     
  3      0.6394887979           0.6965324203     
D   1
  1      0.1620099141           1.0000000        
F   1
  1      0.80000000             1.0000000        

TITANIUM
S   6
  1  43152.950000000            0.00179187       
  2   6479.571000000            0.01372392       
  3   1475.675000000            0.06762830       
  4    415.699100000            0.23376420       
  5    133.000600000            0.48106960       
  6     45.272220000            0.34622800       
L   6
  1    874.682600000            0.00243101             0.00401768       
  2    207.978500000            0.03233027             0.03113966       
  3     66.879180000            0.12425200             0.13490770       
  4     24.873470000           -0.03903905             0.34316720       
  5      9.968441000           -0.61717890             0.46257600       
  6      4.063826000           -0.44730970             0.21546030       
L   6
  1     33.643630000           -0.00294036            -0.00631162       
  2     10.875650000            0.07163103            -0.02697638       
  3      4.628225000            0.25289150             0.05316847       
  4      1.950126000           -0.29664010             0.38455490       
  5      0.809452000           -0.74322150             0.51276620       
  6      0.320474000           -0.18535200             0.18111350       
L   3
  1      1.224148000            0.06351465            -0.21120700       
  2      0.484263000            0.31514040             0.07771998       
  3      0.084096000           -1.16259500             0.98982140       
L   1
  1      0.032036000            1.00000000             1.00000000       
D   3
  1     11.3802872735           0.1000655567     
  2      2.8785653801           0.4084975315     
  3      0.8146824263           0.6922977301     
D   1
  1      0.2106293041           1.0000000        
F   1
  1      0.80000000             1.0000000        

VANADIUM
S   6
  1  47354.330000000            0.00178451       
  2   7110.787000000            0.01366754       
  3   1619.591000000            0.06736122       
  4    456.337900000            0.23305520       
  5    146.060600000            0.48063160       
  6     49.757910000            0.34748020       
L   6
  1    968.148400000            0.00241060             0.00399500       
  2    230.282100000            0.03207243             0.03104061       
  3     74.145910000            0.12459420             0.13477470       
  4     27.641070000           -0.03482177             0.34372790       
  5     11.114750000           -0.61673740             0.46287590       
  6      4.543113000           -0.45098440             0.21355470       
L   6
  1     37.640500000           -0.00323320            -0.00649406       
  2     12.282380000            0.07130744            -0.02753453       
  3      5.233366000            0.25438200             0.05516284       
  4      2.208950000           -0.29338870             0.38796720       
  5      0.917880000           -0.74156950             0.50902580       
  6      0.363412000           -0.19094100             0.18038400       
L   3
  1      1.392781000            0.06139703            -0.18912650       
  2      0.543913000            0.30611300             0.08005453       
  3      0.091476000           -1.15489000             0.98773990       
L   1
  1      0.034312000            1.00000000             1.00000000       
D   3
  1     13.3595274176           0.1006487662     
  2      3.4113944966           0.4115551152     
  3      0.9739061412           0.6875734800     
D   1
  1      0.2522224358           1.0000000        
F   1
  1      0.80000000             1.0000000        

CHROMIUM
S   6
  1  51789.810000000            0.00177618       
  2   7776.849000000            0.01360476       
  3   1771.385000000            0.06706925       
  4    499.158800000            0.23231040       
  5    159.798200000            0.48024100       
  6     54.470210000            0.34876530       
L   6
  1   1064.328000000            0.00239967             0.00398700       
  2    253.213800000            0.03194886             0.03104662       
  3     81.609240000            0.12508680             0.13505180       
  4     30.481930000           -0.03221866             0.34488650       
  5     12.294390000           -0.61722840             0.46285710       
  6      5.037722000           -0.45259360             0.21104260       
L   6
  1     41.562910000           -0.00345422            -0.00672250       
  2     13.676270000            0.07218428            -0.02806471       
  3      5.844390000            0.25448200             0.05820028       
  4      2.471609000           -0.29345340             0.39169880       
  5      1.028308000           -0.73854550             0.50478230       
  6      0.407250000           -0.19471570             0.17902900       
L   3
  1      1.571464000            0.05892219            -0.19301000       
  2      0.605580000            0.29760550             0.09605620       
  3      0.098561000           -1.14750600             0.98176090       
L   1
  1      0.036459000            1.00000000             1.00000000       
D   3
  1     13.5367472123           0.1119134766     
  2      3.4401597836           0.4307135301     
  3      0.9443297182           0.6725709357     
D   1
  1      0.2197057097           1.0000000        
F   1
  1      0.80000000             1.0000000        

MANGANESE
S   6
  1  56347.140000000            0.00177158       
  2   8460.943000000            0.01357081       
  3   1927.325000000            0.06690605       
  4    543.234300000            0.23185410       
  5    173.990500000            0.47990460       
  6     59.360050000            0.34957370       
L   6
  1   1165.412000000            0.00238875             0.00397732       
  2    277.327600000            0.03181708             0.03103112       
  3     89.472780000            0.12546700             0.13518940       
  4     33.482560000           -0.02955431             0.34573870       
  5     13.540370000           -0.61751600             0.46292050       
  6      5.557972000           -0.45444580             0.20905920       
L   6
  1     45.835320000           -0.00366586            -0.00688758       
  2     15.187770000            0.07231971            -0.02846816       
  3      6.500710000            0.25444860             0.06031832       
  4      2.751583000           -0.29103800             0.39389610       
  5      1.145404000           -0.73598600             0.50137690       
  6      0.453687000           -0.19976170             0.17922640       
L   3
  1      1.757999000            0.05628572            -0.50350240       
  2      0.667022000            0.28974910             0.23450110       
  3      0.105129000           -1.14065300             0.91412570       
L   1
  1      0.038418000            1.00000000             1.00000000       
D   3
  1     17.4640356959           0.1021964953     
  2      4.5235533151           0.4169414088     
  3      1.3041931349           0.6799648276     
D   1
  1      0.3369193736           1.0000000        
F   1
  1      0.80000000             1.0000000        

IRON
S   6
  1  61132.620000000            0.00176611       
  2   9179.342000000            0.01353038       
  3   2090.857000000            0.06673128       
  4    589.247900000            0.23148230       
  5    188.754300000            0.47970580       
  6     64.446290000            0.35019760       
L   6
  1   1259.980000000            0.00243801             0.00402802       
  2    299.876100000            0.03224048             0.03144647       
  3     96.849170000            0.12657240             0.13683170       
  4     36.310200000           -0.03139902             0.34872360       
  5     14.729960000           -0.62075930             0.46179310       
  6      6.066075000           -0.45029140             0.20430580       
L   6
  1     50.434850000           -0.00387326            -0.00701713       
  2     16.839290000            0.07196598            -0.02877660       
  3      7.192086000            0.25565910             0.06181383       
  4      3.053420000           -0.28828370             0.39549460       
  5      1.273643000           -0.73428220             0.49890590       
  6      0.504091000           -0.20493530             0.17912510       
L   3
  1      1.950316000            0.05694869            -0.45937960       
  2      0.736721000            0.28829150             0.28521390       
  3      0.114177000           -1.13815900             0.90764850       
L   1
  1      0.041148000            1.00000000             1.00000000       
D   3
  1     19.2960488121           0.1050074059     
  2      5.0216501028           0.4228007951     
  3      1.4414455281           0.6740867843     
D   1
  1      0.3646837240           1.0000000        
F   1
  1      0.80000000             1.0000000        

COBALT
S   6
  1  66148.990000000            0.00175979       
  2   9933.077000000            0.01348162       
  3   2262.816000000            0.06649342       
  4    637.915400000            0.23079390       
  5    204.412200000            0.47929190       
  6     69.825380000            0.35140970       
L   6
  1   1378.841000000            0.00237628             0.00397149       
  2    328.269400000            0.03167450             0.03108174       
  3    106.094600000            0.12628880             0.13574390       
  4     39.832750000           -0.02584552             0.34768270       
  5     16.186220000           -0.61834910             0.46263400       
  6      6.667788000           -0.45670080             0.20516320       
L   6
  1     54.523550000           -0.00399300            -0.00729077       
  2     18.297830000            0.07409663            -0.02926027       
  3      7.867348000            0.25420000             0.06564150       
  4      3.340534000           -0.29216570             0.40006520       
  5      1.393756000           -0.73187030             0.49502360       
  6      0.551326000           -0.20407840             0.17582400       
L   3
  1      2.151947000            0.05379843            -0.21654960       
  2      0.811063000            0.27599710             0.12404880       
  3      0.121017000           -1.12969200             0.97240640       
L   1
  1      0.043037000            1.00000000             1.00000000       
D   3
  1     21.3342776067           0.1068275301     
  2      5.5768194304           0.4266878706     
  3      1.5985127182           0.6698677042     
D   1
  1      0.3995329086           1.0000000        
F   1
  1      0.80000000             1.0000000        

NICKEL
S   6
  1  71396.350000000            0.00175300       
  2  10720.840000000            0.01343122       
  3   2442.129000000            0.06627041       
  4    688.426500000            0.23025080       
  5    220.615300000            0.47901860       
  6     75.393730000            0.35234440       
L   6
  1   1492.532000000            0.00237071             0.00396755       
  2    355.401300000            0.03160566             0.03109479       
  3    114.953400000            0.12663350             0.13595170       
  4     43.220430000           -0.02417037             0.34851360       
  5     17.597100000           -0.61877750             0.46254980       
  6      7.257765000           -0.45767700             0.20351860       
L   6
  1     59.352610000           -0.00416200            -0.00742145       
  2     20.021810000            0.07425111            -0.02953410       
  3      8.614561000            0.25413600             0.06731852       
  4      3.660531000           -0.29034770             0.40166600       
  5      1.528111000           -0.73021210             0.49266230       
  6      0.604057000           -0.20760570             0.17568930       
L   3
  1      2.379276000            0.05157888            -0.18876630       
  2      0.885839000            0.27076110             0.10151990       
  3      0.128529000           -1.12477000             0.97909060       
L   1
  1      0.045195000            1.00000000             1.00000000       
D   3
  1     23.4797449981           0.1083435458     
  2      6.1618058722           0.4298776432     
  3      1.7645451103           0.6663191638     
D   1
  1      0.4366865521           1.0000000        
F   1
  1      0.80000000             1.0000000        

COPPER
S   6
  1  76794.380000000            0.00174816       
  2  11530.700000000            0.01339602       
  3   2626.575000000            0.06610885       
  4    740.490300000            0.22982650       
  5    237.352800000            0.47876750       
  6     81.158180000            0.35307390       
L   6
  1   1610.814000000            0.00236405             0.00396331       
  2    383.636700000            0.03153635             0.03110223       
  3    124.173300000            0.12694520             0.13613500       
  4     46.746780000           -0.02262840             0.34929140       
  5     19.065690000           -0.61920800             0.46247800       
  6      7.871567000           -0.45853930             0.20201020       
L   6
  1     64.457320000           -0.00433108            -0.00752373       
  2     21.852120000            0.07412307            -0.02975687       
  3      9.405343000            0.25421080             0.06849654       
  4      3.999168000           -0.28748430             0.40271410       
  5      1.670297000           -0.72914360             0.49084900       
  6      0.659627000           -0.21139510             0.17592680       
L   3
  1      2.600088000            0.05027577            -0.17029110       
  2      0.963094000            0.26500400             0.09310133       
  3      0.136161000           -1.12015500             0.98143360       
L   1
  1      0.047332000            1.00000000             1.00000000       
D   3
  1     23.7507076365           0.1176454522     
  2      6.2001031538           0.4444063028     
  3      1.7193642175           0.6546667345     
D   1
  1      0.3881782772           1.0000000        
F   1
  1      0.80000000             1.0000000        
$END

