************************************************************************
* This file is part of OpenMolcas.                                     *
*                                                                      *
* OpenMolcas is free software; you can redistribute it and/or modify   *
* it under the terms of the GNU Lesser General Public License, v. 2.1. *
* OpenMolcas is distributed in the hope that it will be useful, but it *
* is provided "as is" and without any express or implied warranties.   *
* For more details see the full text of the license in the file        *
* LICENSE or in <http://www.gnu.org/licenses/>.                        *
************************************************************************
aug-cc-pVDZ
/H.aug-cc-pVDZ.Dunning.5s2p.3s2p..
Ref: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
HYDROGEN  (4s,1p) -> [2s,1p], Diffuse (1s,1p)
Options
OrbitalEnergies
EndOptions
          1.   1
* S-type functions
    5    3
          13.01000000
           1.96200000
           0.44460000
           0.12200000
           0.02974000
  0.01968500  0.00000000  0.00000000
  0.13797700  0.00000000  0.00000000
  0.47814800  0.00000000  0.00000000
  0.50124000  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -0.50
* P-type functions
    2    2
           0.72700000
           0.14100000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/He.aug-cc-pVDZ.Woon.5s2p.3s2p..
Ref: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).
HELIUM       (4s,1p) -> [2s,1p], Diffuse (1s,1p)
Options
OrbitalEnergies
EndOptions
          2.   1
* S-type functions
    5    3
          38.36000000
           5.77000000
           1.24000000
           0.29760000
           0.07255000
  0.02380900  0.00000000  0.00000000
  0.15489100  0.00000000  0.00000000
  0.46998700  0.00000000  0.00000000
  0.51302700  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -0.91795
* P-type functions
    2    2
           1.27500000
           0.24730000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/B.aug-cc-pVDZ.Kendall.10s5p2d.4s3p2d..
Ref: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 6769 (1992).
BORON        (9s,4p,1d) -> [3s,2p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
          5.   2
* S-type functions
   10    4
        4570.00000000
         685.90000000
         156.50000000
          44.47000000
          14.48000000
           5.13100000
           1.89800000
           0.33290000
           0.10430000
           0.03105000
  0.00069600 -0.00013900  0.00000000  0.00000000
  0.00535300 -0.00109700  0.00000000  0.00000000
  0.02713400 -0.00544400  0.00000000  0.00000000
  0.10138000 -0.02191600  0.00000000  0.00000000
  0.27205500 -0.05975100  0.00000000  0.00000000
  0.44840300 -0.13873200  0.00000000  0.00000000
  0.29012300 -0.13148200  0.00000000  0.00000000
  0.01432200  0.53952600  0.00000000  0.00000000
 -0.00348600  0.58077400  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -7.69533  -0.49469
* P-type functions
    5    3
           6.00100000
           1.24100000
           0.33640000
           0.09538000
           0.02378000
  0.03548100  0.00000000  0.00000000
  0.19807200  0.00000000  0.00000000
  0.50523000  0.00000000  0.00000000
  0.47949900  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -0.30986
* D-type functions
    2    2
           0.34300000
           0.09040000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/C.aug-cc-pVDZ.Kendall.10s5p2d.4s3p2d..
Ref: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 6769 (1992).
CARBON       (9s,4p,1d) -> [3s,2p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
          6.   2
* S-type functions
   10    4
        6665.00000000
        1000.00000000
         228.00000000
          64.71000000
          21.06000000
           7.49500000
           2.79700000
           0.52150000
           0.15960000
           0.04690000
  0.00069200 -0.00014600  0.00000000  0.00000000
  0.00532900 -0.00115400  0.00000000  0.00000000
  0.02707700 -0.00572500  0.00000000  0.00000000
  0.10171800 -0.02331200  0.00000000  0.00000000
  0.27474000 -0.06395500  0.00000000  0.00000000
  0.44856400 -0.14998100  0.00000000  0.00000000
  0.28507400 -0.12726200  0.00000000  0.00000000
  0.01520400  0.54452900  0.00000000  0.00000000
 -0.00319100  0.58049600  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -11.32554  -0.70563
* P-type functions
    5    3
           9.43900000
           2.00200000
           0.54560000
           0.15170000
           0.04041000
  0.03810900  0.00000000  0.00000000
  0.20948000  0.00000000  0.00000000
  0.50855700  0.00000000  0.00000000
  0.46884200  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -0.43335
* D-type functions
    2    2
           0.55000000
           0.15100000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/N.aug-cc-pVDZ.Kendall.10s5p2d.4s3p2d..
Ref: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 6769 (1992).
NITROGEN     (9s,4p,1d) -> [3s,2p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
          7.   2
* S-type functions
   10    4
        9046.00000000
        1357.00000000
         309.30000000
          87.73000000
          28.56000000
          10.21000000
           3.83800000
           0.74660000
           0.22480000
           0.06124000
  0.00070000 -0.00015300  0.00000000  0.00000000
  0.00538900 -0.00120800  0.00000000  0.00000000
  0.02740600 -0.00599200  0.00000000  0.00000000
  0.10320700 -0.02454400  0.00000000  0.00000000
  0.27872300 -0.06745900  0.00000000  0.00000000
  0.44854000 -0.15807800  0.00000000  0.00000000
  0.27823800 -0.12183100  0.00000000  0.00000000
  0.01544000  0.54900300  0.00000000  0.00000000
 -0.00286400  0.57881500  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -15.62909  -0.94531
* P-type functions
    5    3
          13.55000000
           2.91700000
           0.79730000
           0.21850000
           0.05611000
  0.03991900  0.00000000  0.00000000
  0.21716900  0.00000000  0.00000000
  0.51031900  0.00000000  0.00000000
  0.46221400  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -0.56758
* D-type functions
    2    2
           0.81700000
           0.23000000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/O.aug-cc-pVDZ.Kendall.10s5p2d.4s3p2d..
Ref: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 6769 (1992).
OXYGEN       (9s,4p,1d) -> [3s,2p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
          8.   2
* S-type functions
   10    4
       11720.00000000
        1759.00000000
         400.80000000
         113.70000000
          37.03000000
          13.27000000
           5.02500000
           1.01300000
           0.30230000
           0.07896000
  0.00071000 -0.00016000  0.00000000  0.00000000
  0.00547000 -0.00126300  0.00000000  0.00000000
  0.02783700 -0.00626700  0.00000000  0.00000000
  0.10480000 -0.02571600  0.00000000  0.00000000
  0.28306200 -0.07092400  0.00000000  0.00000000
  0.44871900 -0.16541100  0.00000000  0.00000000
  0.27095200 -0.11695500  0.00000000  0.00000000
  0.01545800  0.55736800  0.00000000  0.00000000
 -0.00258500  0.57275900  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -20.66866  -1.24433
* P-type functions
    5    3
          17.70000000
           3.85400000
           1.04600000
           0.27530000
           0.06856000
  0.04301800  0.00000000  0.00000000
  0.22891300  0.00000000  0.00000000
  0.50872800  0.00000000  0.00000000
  0.46053100  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -0.63192
* D-type functions
    2    2
           1.18500000
           0.33200000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/F.aug-cc-pVDZ.Kendall.10s5p2d.4s3p2d..
Ref: R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 6769 (1992).
FLUORINE     (9s,4p,1d) -> [3s,2p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
          9.   2
* S-type functions
   10    4
       14710.00000000
        2207.00000000
         502.80000000
         142.60000000
          46.47000000
          16.70000000
           6.35600000
           1.31600000
           0.38970000
           0.09863000
  0.00072100 -0.00016500  0.00000000  0.00000000
  0.00555300 -0.00130800  0.00000000  0.00000000
  0.02826700 -0.00649500  0.00000000  0.00000000
  0.10644400 -0.02669100  0.00000000  0.00000000
  0.28681400 -0.07369000  0.00000000  0.00000000
  0.44864100 -0.17077600  0.00000000  0.00000000
  0.26476100 -0.11232700  0.00000000  0.00000000
  0.01533300  0.56281400  0.00000000  0.00000000
 -0.00233200  0.56877800  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -26.38273  -1.57254
* P-type functions
    5    3
          22.67000000
           4.97700000
           1.34700000
           0.34710000
           0.08502000
  0.04487800  0.00000000  0.00000000
  0.23571800  0.00000000  0.00000000
  0.50852100  0.00000000  0.00000000
  0.45812000  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -0.73001
* D-type functions
    2    2
           1.64000000
           0.46400000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/Ne.aug-cc-pVDZ.Dunning.10s5p2d.4s3p2d..
Ref: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
NEON         (9s,4p,1d) -> [3s,2p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         10.   2
* S-type functions
   10    4
       17880.00000000
        2683.00000000
         611.50000000
         173.50000000
          56.64000000
          20.42000000
           7.81000000
           1.65300000
           0.48690000
           0.12300000
  0.00073800 -0.00017200  0.00000000  0.00000000
  0.00567700 -0.00135700  0.00000000  0.00000000
  0.02888300 -0.00673700  0.00000000  0.00000000
  0.10854000 -0.02766300  0.00000000  0.00000000
  0.29090700 -0.07620800  0.00000000  0.00000000
  0.44832400 -0.17522700  0.00000000  0.00000000
  0.25802600 -0.10703800  0.00000000  0.00000000
  0.01506300  0.56705000  0.00000000  0.00000000
 -0.00210000  0.56521600  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -32.77248  -1.93043
* P-type functions
    5    3
          28.39000000
           6.27000000
           1.69500000
           0.43170000
           0.10640000
  0.04608700  0.00000000  0.00000000
  0.24018100  0.00000000  0.00000000
  0.50874400  0.00000000  0.00000000
  0.45566000  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -0.85044
* D-type functions
    2    2
           2.20200000
           0.63100000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/Al.aug-cc-pVDZ.Woon.13s9p2d.5s4p2d..
Ref: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
ALUMINUM     (12s,8p,1d) -> [4s,3p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         13.   2
* S-type functions
   13    5
       64150.00000000
        9617.00000000
        2189.00000000
         620.50000000
         202.70000000
          73.15000000
          28.55000000
          11.77000000
           3.30000000
           1.17300000
           0.17520000
           0.06473000
           0.02310000
  0.00029025 -0.00007580  0.00001751  0.00000000  0.00000000
  0.00225064 -0.00058179  0.00013421  0.00000000  0.00000000
  0.01164590 -0.00308113  0.00071244  0.00000000  0.00000000
  0.04673770 -0.01231120  0.00284330  0.00000000  0.00000000
  0.14629900 -0.04197810  0.00976842  0.00000000  0.00000000
  0.33028300 -0.10337100  0.02418500  0.00000000  0.00000000
  0.41586100 -0.19630800  0.04749930  0.00000000  0.00000000
  0.18925300 -0.08300020  0.02036210  0.00000000  0.00000000
  0.01158890  0.54104000 -0.15878800  0.00000000  0.00000000
 -0.00128385  0.57879600 -0.31169400  0.00000000  0.00000000
  0.00042588  0.02881470  0.62014700  0.00000000  0.00000000
 -0.00019928 -0.00953795  0.52094300  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -58.50105  -4.91069  -0.39430
* P-type functions
    9    4
         258.80000000
          60.89000000
          19.14000000
           6.88100000
           2.57400000
           0.95720000
           0.20990000
           0.05986000
           0.01530000
  0.00406847 -0.00074805  0.00000000  0.00000000
  0.03068150 -0.00545796  0.00000000  0.00000000
  0.12914900 -0.02453710  0.00000000  0.00000000
  0.32083100 -0.05821380  0.00000000  0.00000000
  0.45381500 -0.09837560  0.00000000  0.00000000
  0.27506600 -0.02600640  0.00000000  0.00000000
  0.01908070  0.46402000  0.00000000  0.00000000
 -0.00312848  0.64887000  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -3.21834  -0.21002
* D-type functions
    2    2
           0.18900000
           0.05350000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/Si.aug-cc-pVDZ.Woon.13s9p2d.5s4p2d..
Ref: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
SILICON      (12s,8p,1d) -> [4s,3p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         14.   2
* S-type functions
   13    5
       78860.00000000
       11820.00000000
        2692.00000000
         763.40000000
         249.60000000
          90.28000000
          35.29000000
          14.51000000
           4.05300000
           1.48200000
           0.25170000
           0.09243000
           0.03320000
  0.00027044 -0.00007232  0.00001851  0.00000000  0.00000000
  0.00209717 -0.00055512  0.00014224  0.00000000  0.00000000
  0.01085060 -0.00293805  0.00075219  0.00000000  0.00000000
  0.04367540 -0.01176870  0.00302279  0.00000000  0.00000000
  0.13765300 -0.04029070  0.01036770  0.00000000  0.00000000
  0.31664400 -0.10060900  0.02625630  0.00000000  0.00000000
  0.41858100 -0.19652800  0.05239890  0.00000000  0.00000000
  0.21021200 -0.10238200  0.02909590  0.00000000  0.00000000
  0.01449520  0.52719000 -0.17800300  0.00000000  0.00000000
 -0.00203590  0.59325100 -0.34687400  0.00000000  0.00000000
  0.00062419  0.03326520  0.62302000  0.00000000  0.00000000
 -0.00028287 -0.00973662  0.53771200  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -68.81239  -6.15647  -0.53978
* P-type functions
    9    4
         315.90000000
          74.42000000
          23.48000000
           8.48800000
           3.21700000
           1.22900000
           0.29640000
           0.08768000
           0.02500000
  0.00392656 -0.00085830  0.00000000  0.00000000
  0.02988110 -0.00630328  0.00000000  0.00000000
  0.12721200 -0.02882550  0.00000000  0.00000000
  0.32094300 -0.06945600  0.00000000  0.00000000
  0.45542900 -0.11949300  0.00000000  0.00000000
  0.26856300 -0.01995810  0.00000000  0.00000000
  0.01883360  0.51026800  0.00000000  0.00000000
 -0.00262431  0.60038200  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -4.25598  -0.29703
* D-type functions
    2    2
           0.27500000
           0.08230000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/P.aug-cc-pVDZ.Woon.13s9p2d.5s4p2d..
Ref: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
PHOSPHORUS   (12s,8p,1d) -> [4s,3p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         15.   2
* S-type functions
   13    5
       94840.00000000
       14220.00000000
        3236.00000000
         917.10000000
         299.50000000
         108.10000000
          42.18000000
          17.28000000
           4.85800000
           1.81800000
           0.33720000
           0.12320000
           0.04170000
  0.00025551 -0.00006969  0.00001912  0.00000000  0.00000000
  0.00198193 -0.00053527  0.00014722  0.00000000  0.00000000
  0.01027600 -0.00283709  0.00077791  0.00000000  0.00000000
  0.04148230 -0.01139830  0.00314546  0.00000000  0.00000000
  0.13198400 -0.03929290  0.01082000  0.00000000  0.00000000
  0.30866200 -0.09963640  0.02799570  0.00000000  0.00000000
  0.42064700 -0.19798300  0.05639780  0.00000000  0.00000000
  0.22287800 -0.11486000  0.03581900  0.00000000  0.00000000
  0.01640350  0.51859500 -0.19338700  0.00000000  0.00000000
 -0.00254255  0.60184700 -0.37209700  0.00000000  0.00000000
  0.00074805  0.03686120  0.62424600  0.00000000  0.00000000
 -0.00033096 -0.00970759  0.55172100  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -79.96965  -7.51102  -0.69636
* P-type functions
    9    4
         370.50000000
          87.33000000
          27.59000000
          10.00000000
           3.82500000
           1.49400000
           0.39210000
           0.11860000
           0.03430000
  0.00395005 -0.00095983  0.00000000  0.00000000
  0.03024920 -0.00711177  0.00000000  0.00000000
  0.12955400 -0.03271220  0.00000000  0.00000000
  0.32759400 -0.07957840  0.00000000  0.00000000
  0.45699200 -0.13501600  0.00000000  0.00000000
  0.25308600 -0.00910585  0.00000000  0.00000000
  0.01687980  0.53780200  0.00000000  0.00000000
 -0.00207093  0.56906600  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -5.40088  -0.39161
* D-type functions
    2    2
           0.37300000
           0.11300000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/S.aug-cc-pVDZ.Woon.13s9p2d.5s4p2d..
Ref: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
SULFUR       (12s,8p,1d) -> [4s,3p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         16.   2
* S-type functions
   13    5
      110800.00000000
       16610.00000000
        3781.00000000
        1071.00000000
         349.80000000
         126.30000000
          49.26000000
          20.16000000
           5.72000000
           2.18200000
           0.43270000
           0.15700000
           0.05070000
  0.00024764 -0.00006870  0.00001991  0.00000000  0.00000000
  0.00192026 -0.00052768  0.00015348  0.00000000  0.00000000
  0.00996192 -0.00279671  0.00080950  0.00000000  0.00000000
  0.04029750 -0.01126510  0.00328974  0.00000000  0.00000000
  0.12860400 -0.03888340  0.01129670  0.00000000  0.00000000
  0.30348000 -0.09950250  0.02963850  0.00000000  0.00000000
  0.42143200 -0.19974000  0.05998510  0.00000000  0.00000000
  0.23078100 -0.12336000  0.04132480  0.00000000  0.00000000
  0.01789710  0.51319400 -0.20747400  0.00000000  0.00000000
 -0.00297516  0.60712000 -0.39288900  0.00000000  0.00000000
  0.00084952  0.03967530  0.63284000  0.00000000  0.00000000
 -0.00036794 -0.00946864  0.55692400  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -92.00447  -9.00431  -0.87955
* P-type functions
    9    4
         399.70000000
          94.19000000
          29.75000000
          10.77000000
           4.11900000
           1.62500000
           0.47260000
           0.14070000
           0.03990000
  0.00447541 -0.00116251  0.00000000  0.00000000
  0.03417080 -0.00865664  0.00000000  0.00000000
  0.14425000 -0.03908860  0.00000000  0.00000000
  0.35392800 -0.09346250  0.00000000  0.00000000
  0.45908500 -0.14799400  0.00000000  0.00000000
  0.20638300  0.03019040  0.00000000  0.00000000
  0.01021410  0.56157300  0.00000000  0.00000000
 -0.00006031  0.53477600  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -6.68253  -0.43737
* D-type functions
    2    2
           0.47900000
           0.15200000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/Cl.aug-cc-pVDZ.Woon.13s9p2d.5s4p2d..
Ref: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
CHLORINE     (12s,8p,1d) -> [4s,3p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         17.   2
* S-type functions
   13    5
      127900.00000000
       19170.00000000
        4363.00000000
        1236.00000000
         403.60000000
         145.70000000
          56.81000000
          23.23000000
           6.64400000
           2.57500000
           0.53710000
           0.19380000
           0.06080000
  0.00024115 -0.00006789  0.00002050  0.00000000  0.00000000
  0.00187095 -0.00052184  0.00015830  0.00000000  0.00000000
  0.00970827 -0.00276513  0.00083364  0.00000000  0.00000000
  0.03931530 -0.01115370  0.00339880  0.00000000  0.00000000
  0.12593200 -0.03859190  0.01167380  0.00000000  0.00000000
  0.29934100 -0.09948480  0.03096220  0.00000000  0.00000000
  0.42188600 -0.20139200  0.06295330  0.00000000  0.00000000
  0.23720100 -0.13031300  0.04602570  0.00000000  0.00000000
  0.01915310  0.50944300 -0.21931200  0.00000000  0.00000000
 -0.00334792  0.61072500 -0.40877300  0.00000000  0.00000000
  0.00092988  0.04215490  0.63846500  0.00000000  0.00000000
 -0.00039638 -0.00923427  0.56236200  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -104.88469 -10.60777  -1.07311
* P-type functions
    9    4
         417.60000000
          98.33000000
          31.04000000
          11.19000000
           4.24900000
           1.62400000
           0.53220000
           0.16200000
           0.04660000
  0.00525982 -0.00143570  0.00000000  0.00000000
  0.03983320 -0.01077960  0.00000000  0.00000000
  0.16465500 -0.04700750  0.00000000  0.00000000
  0.38732200 -0.11103000  0.00000000  0.00000000
  0.45707200 -0.15327500  0.00000000  0.00000000
  0.15163600  0.08946090  0.00000000  0.00000000
  0.00181615  0.57944400  0.00000000  0.00000000
  0.00188296  0.48327200  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -8.07252  -0.50652
* D-type functions
    2    2
           0.60000000
           0.19600000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/Ar.aug-cc-pVDZ.Woon.13s9p2d.5s4p2d..
Ref: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
ARGON        (12s,8p,1d) -> [4s,3p,1d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         18.   2
* S-type functions
   13    5
      145700.00000000
       21840.00000000
        4972.00000000
        1408.00000000
         459.70000000
         165.90000000
          64.69000000
          26.44000000
           7.62800000
           2.99600000
           0.65040000
           0.23370000
           0.07090000
  0.00023670 -0.00006749  0.00002105  0.00000000  0.00000000
  0.00183523 -0.00051852  0.00016257  0.00000000  0.00000000
  0.00952860 -0.00274825  0.00085546  0.00000000  0.00000000
  0.03862830 -0.01110070  0.00349745  0.00000000  0.00000000
  0.12408100 -0.03848200  0.01201560  0.00000000  0.00000000
  0.29647100 -0.09975990  0.03213680  0.00000000  0.00000000
  0.42206800 -0.20308800  0.06552790  0.00000000  0.00000000
  0.24171100 -0.13560800  0.04993700  0.00000000  0.00000000
  0.02005090  0.50719500 -0.22976900  0.00000000  0.00000000
 -0.00361000  0.61289800 -0.42100600  0.00000000  0.00000000
  0.00097561  0.04429680  0.64233100  0.00000000  0.00000000
 -0.00041132 -0.00899278  0.56754000  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -118.61039 -12.32219  -1.27735
* P-type functions
    9    4
         453.70000000
         106.80000000
          33.73000000
          12.13000000
           4.59400000
           1.67800000
           0.59090000
           0.18520000
           0.05330000
  0.00570555 -0.00160655  0.00000000  0.00000000
  0.04304600 -0.01217140  0.00000000  0.00000000
  0.17659100 -0.05207890  0.00000000  0.00000000
  0.40686300 -0.12373700  0.00000000  0.00000000
  0.45254900 -0.15161900  0.00000000  0.00000000
  0.12280100  0.14242500  0.00000000  0.00000000
 -0.00445996  0.58450100  0.00000000  0.00000000
  0.00205225  0.43754000  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
 2
 -9.57150  -0.59102
* D-type functions
    2    2
           0.73800000
           0.24000000
  1.00000000  0.00000000
  0.00000000  1.00000000
 0
/Fe.aug-cc-pVDZ.Balabanov.21s17p9d3f.7s6p4d2f..
Ref: N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005).
IRON (20s,16p,8d,2f) -> [6s,5p,3d,1f] + (1s,1p,1d,1f) -> [1s,1p,1d,1f]
         26.   3
* S-type functions
   21    7
  4316265.00000
   646342.40000
   147089.70000
 41661.52000000
 13590.77000000
  4905.75000000
  1912.74600000
   792.60430000
   344.80650000
   155.89990000
    72.23091000
    32.72506000
    15.66762000
     7.50348300
     3.31222300
     1.55847100
     0.68391400
     0.14675700
     0.07058300
     0.03144900
     0.01401000
  0.00000805 -0.00000416  0.00000095 -0.00000021 -0.00000040  0.00000000 0.0
  0.00006258 -0.00003231  0.00000741 -0.00000160 -0.00000319  0.00000000 0.0
  0.00032902 -0.00016995  0.00003898 -0.00000844 -0.00001623  0.00000000 0.0
  0.00138736 -0.00071714  0.00016472 -0.00003563 -0.00007158  0.00000000 0.0
  0.00502326 -0.00260363  0.00059860 -0.00012960 -0.00024640  0.00000000 0.0
  0.01610140 -0.00839911  0.00194239 -0.00042015 -0.00085449  0.00000000 0.0
  0.04590034 -0.02434109  0.00568724 -0.00123195 -0.00230759  0.00000000 0.0
  0.11361540 -0.06251948  0.01501329 -0.00324892 -0.00672829  0.00000000 0.0
  0.22838690 -0.13659290  0.03452455 -0.00749372 -0.01366165  0.00000000 0.0
  0.32211590 -0.23127070  0.06495820 -0.01410102 -0.03062240  0.00000000 0.0
  0.23836610 -0.23837340  0.07716194 -0.01691600 -0.02631137  0.00000000 0.0
  0.07404667  0.03123837 -0.01873411  0.00421900 -0.00976018  0.00000000 0.0
  0.09214197  0.50868180 -0.30091850  0.06833810  0.18019060  0.00000000 0.0
  0.09339790  0.49876950 -0.45546610  0.10982010  0.15296340  0.00000000 0.0
  0.01573965  0.09033552  0.12864630 -0.04009005  0.05505413  0.00000000 0.0
 -0.00041867 -0.00600534  0.71833160 -0.21747390 -0.95513640  0.00000000 0.0
  0.00005376  0.00023125  0.40517430 -0.24651350  0.25868130  0.00000000 0.0
 -0.00003817 -0.00056437  0.02168227  0.27314350  1.83404900  0.00000000 0.0
  0.00004320  0.00049923 -0.00834357  0.57483210 -0.93332400  0.00000000 0.0
 -0.00000340 -0.00010153  0.00365898  0.30127130 -0.69816050  1.00000000 0.0
  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 1.0
* P-type functions
   17    6
 17745.69000000
  4200.72100000
  1364.42900000
   522.08060000
   221.45950000
   100.90960000
    48.40115000
    23.98536000
    12.18250000
     6.24229800
     3.11094400
     1.50995800
     0.71084500
     0.27319000
     0.10423300
     0.03829100
     0.01401000
  0.00004100 -0.00001500  0.00000300  0.00000500  0.00000000  0.00000000
  0.00036900 -0.00013000  0.00002900  0.00004200  0.00000000  0.00000000
  0.00212900 -0.00075100  0.00016500  0.00024100  0.00000000  0.00000000
  0.00936900 -0.00332900  0.00073400  0.00108500  0.00000000  0.00000000
  0.03309700 -0.01191200  0.00262600  0.00383100  0.00000000  0.00000000
  0.09443100 -0.03493300  0.00772500  0.01142300  0.00000000  0.00000000
  0.20807700 -0.07998900  0.01773300  0.02579200  0.00000000  0.00000000
  0.33233300 -0.13463600  0.03005500  0.04481800  0.00000000  0.00000000
  0.33298700 -0.13859800  0.03109400  0.04459800  0.00000000  0.00000000
  0.15684300  0.03027800 -0.01004800 -0.01117700  0.00000000  0.00000000
  0.02154900  0.33321600 -0.08830600 -0.13813400  0.00000000  0.00000000
 -0.00209500  0.45615300 -0.12982400 -0.18828500  0.00000000  0.00000000
 -0.00173900  0.28505100 -0.07693700 -0.10739900  0.00000000  0.00000000
 -0.00030000  0.04614400  0.21266100  0.44486300  0.00000000  0.00000000
  0.00002900 -0.00324900  0.57306100  0.64023900  0.00000000  0.00000000
 -0.00001100  0.00135700  0.36965100  0.06445700  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
* D-type functions
    9    4
   113.34400000
    33.64140000
    12.33100000
     4.99478000
     2.07280000
     0.83075300
     0.30917800
     0.10013000
     0.03216000
  0.00353000 -0.00389000  0.00000000  0.00000000
  0.02578400 -0.02844200  0.00000000  0.00000000
  0.09911900 -0.11242900  0.00000000  0.00000000
  0.23907300 -0.27425700  0.00000000  0.00000000
  0.35719900 -0.31554600  0.00000000  0.00000000
  0.36218800  0.05710900  0.00000000  0.00000000
  0.23646100  0.56360400  0.00000000  0.00000000
  0.06011800  0.38463700  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  1.00000000
* F-type functions
    3    2
     3.22430000
     0.77580000
     0.26723000
  0.42224900  0.00000000
  0.77146800  0.00000000
  0.00000000  1.00000000
/Ga.aug-cc-pVDZ..15s12p7d.6s5p3d..
Ref: A.K. Wilson, D.E. Woon, K.A. Peterson and T.H. Dunning, Jr. J. Chem. Phys. 110, 7667 (1999).
GALLIUM      (14s,11p,6d) -> [5s,4p,2d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         31.   2
* S-type functions
   15    6
      485130.00000000
       72719.00000000
       16552.00000000
        4687.80000000
        1529.10000000
         551.81000000
         215.18000000
          88.17400000
          27.15400000
          11.50300000
           3.30180000
           1.33140000
           0.19316000
           0.07089500
           0.02434800
  0.00020680 -0.00006430  0.00002450 -0.00000570  0.00000000  0.00000000
  0.00160470 -0.00049540  0.00018950 -0.00004400  0.00000000  0.00000000
  0.00834020 -0.00262080  0.00099640 -0.00023050  0.00000000  0.00000000
  0.03402480 -0.01068390  0.00410820 -0.00095440  0.00000000  0.00000000
  0.11116990 -0.03741230  0.01429380 -0.00330550  0.00000000  0.00000000
  0.27539300 -0.10096360  0.03980340 -0.00928880  0.00000000  0.00000000
  0.42126280 -0.21451410  0.08559400 -0.01986440  0.00000000  0.00000000
  0.27389060 -0.17522970  0.07963050 -0.01908880  0.00000000  0.00000000
  0.02837200  0.48315990 -0.29391070  0.07323560  0.00000000  0.00000000
 -0.00629310  0.63236770 -0.52639140  0.13415260  0.00000000  0.00000000
  0.00206060  0.06849420  0.58642490 -0.18319290  0.00000000  0.00000000
 -0.00092690 -0.01187120  0.67263470 -0.35713080  0.00000000  0.00000000
  0.00022730  0.00266520  0.02761230  0.62460130  0.00000000  0.00000000
 -0.00010630 -0.00122510 -0.00936510  0.52384300  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 4
 -378.81805 -48.16849  -6.39460  -0.42446
* P-type functions
   12    5
        3248.60000000
         769.97000000
         248.20000000
          93.36400000
          38.25100000
          16.42200000
           6.79180000
           2.83360000
           1.10620000
           0.22250000
           0.06177200
           0.01516400
  0.00152600 -0.00058030  0.00009500  0.00000000  0.00000000
  0.01274860 -0.00486470  0.00078320  0.00000000  0.00000000
  0.06337420 -0.02483940  0.00408550  0.00000000  0.00000000
  0.20657750 -0.08417590  0.01359870  0.00000000  0.00000000
  0.40929630 -0.18008850  0.03026950  0.00000000  0.00000000
  0.39191830 -0.15855550  0.02417900  0.00000000  0.00000000
  0.10294410  0.23553760 -0.04237770  0.00000000  0.00000000
 -0.00072030  0.58205870 -0.12656610  0.00000000  0.00000000
  0.00209500  0.33666190 -0.04994440  0.00000000  0.00000000
 -0.00032900  0.01719120  0.44941990  0.00000000  0.00000000
  0.00011620 -0.00332650  0.67188990  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -42.49412  -4.48235  -0.20849
* D-type functions
    7    3
          65.33700000
          18.49700000
           6.31500000
           2.16350000
           0.66675000
           0.18840000
           0.05370000
  0.02738250  0.00000000  0.00000000
  0.15108050  0.00000000  0.00000000
  0.37492170  0.00000000  0.00000000
  0.47507990  0.00000000  0.00000000
  0.29827500  0.00000000  0.00000000
  0.00000000  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -1.19332
/Ge.aug-cc-pVDZ..15s12p7d.6s5p3d..
Ref: A.K. Wilson, D.E. Woon, K.A. Peterson and T.H. Dunning, Jr. J. Chem. Phys. 110, 7667 (1999).
GERMANIUM    (14s,11p,6d) -> [5s,4p,2d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         32.   2
* S-type functions
   15    6
      521800.00000000
       78214.00000000
       17803.00000000
        5041.90000000
        1644.50000000
         593.43000000
         231.36000000
          94.76200000
          29.27400000
          12.45000000
           3.64630000
           1.50250000
           0.24503000
           0.09159400
           0.03396100
  0.00020450 -0.00006380  0.00002460 -0.00000630  0.00000000  0.00000000
  0.00158680 -0.00049160  0.00019000 -0.00004860  0.00000000  0.00000000
  0.00824800 -0.00260020  0.00099930 -0.00025530  0.00000000  0.00000000
  0.03366490 -0.01060800  0.00412000 -0.00105600  0.00000000  0.00000000
  0.11012490 -0.03716020  0.01435570 -0.00366740  0.00000000  0.00000000
  0.27356070 -0.10057900  0.04003750 -0.01030530  0.00000000  0.00000000
  0.42106700 -0.21439770  0.08657940 -0.02222000  0.00000000  0.00000000
  0.27667910 -0.17826170  0.08158610 -0.02152750  0.00000000  0.00000000
  0.02921800  0.47774040 -0.29347700  0.08067520  0.00000000  0.00000000
 -0.00659030  0.63559830 -0.53679830  0.15249580  0.00000000  0.00000000
  0.00224300  0.07221740  0.56379850 -0.19805280  0.00000000  0.00000000
 -0.00103820 -0.01272650  0.69471820 -0.40739540  0.00000000  0.00000000
  0.00026950  0.00296080  0.03157300  0.64772880  0.00000000  0.00000000
 -0.00012280 -0.00132920 -0.00989490  0.52220330  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 4
 -405.24403 -52.15019  -7.19090  -0.55331
* P-type functions
   12    5
        3568.10000000
         845.72000000
         272.74000000
         102.68000000
          42.14800000
          18.14900000
           7.59340000
           3.19640000
           1.27430000
           0.28258000
           0.08409000
           0.02394500
  0.00145910 -0.00056300  0.00011150  0.00000000  0.00000000
  0.01221760 -0.00473540  0.00092120  0.00000000  0.00000000
  0.06104900 -0.02426430  0.00482730  0.00000000  0.00000000
  0.20080390 -0.08309000  0.01622720  0.00000000  0.00000000
  0.40389420 -0.18002470  0.03663540  0.00000000  0.00000000
  0.39700270 -0.16632950  0.03078670  0.00000000  0.00000000
  0.11054810  0.21937170 -0.04806430  0.00000000  0.00000000
  0.00007680  0.58202390 -0.15598040  0.00000000  0.00000000
  0.00212630  0.34777200 -0.06323700  0.00000000  0.00000000
 -0.00037440  0.01924550  0.50408190  0.00000000  0.00000000
  0.00013210 -0.00348250  0.61822000  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -46.23602  -5.16148  -0.28729
* D-type functions
    7    3
          74.76200000
          21.30200000
           7.34360000
           2.56510000
           0.81970000
           0.24700000
           0.07710000
  0.02576840  0.00000000  0.00000000
  0.14544210  0.00000000  0.00000000
  0.37137210  0.00000000  0.00000000
  0.48000020  0.00000000  0.00000000
  0.28968000  0.00000000  0.00000000
  0.00000000  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -1.63475
/As.aug-cc-pVDZ..15s12p7d.6s5p3d..
Ref: A.K. Wilson, D.E. Woon, K.A. Peterson and T.H. Dunning, Jr. J. Chem. Phys. 110, 7667 (1999).
ARSENIC      (14s,11p,6d) -> [5s,4p,2d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         33.   2
* S-type functions
   15    6
      559583.79000000
       83879.33000000
       19092.66800000
        5407.39250000
        1763.75590000
         636.45672000
         248.08843000
         101.57851000
          31.47551300
          13.43728200
           4.00869000
           1.68492900
           0.30001900
           0.11358700
           0.04115200
  0.00020240 -0.00006340  0.00002460 -0.00000680  0.00000000  0.00000000
  0.00157090 -0.00048830  0.00019070 -0.00005250  0.00000000  0.00000000
  0.00816620 -0.00258210  0.00100310 -0.00027560  0.00000000  0.00000000
  0.03333990 -0.01054020  0.00413530 -0.00113890  0.00000000  0.00000000
  0.10917260 -0.03693250  0.01442590 -0.00396460  0.00000000  0.00000000
  0.27188530 -0.10023550  0.04029620 -0.01114230  0.00000000  0.00000000
  0.42085090 -0.21429480  0.08756700 -0.02419910  0.00000000  0.00000000
  0.27922570 -0.18105260  0.08351780 -0.02363390  0.00000000  0.00000000
  0.03003010  0.47254100 -0.29329350  0.08663170  0.00000000  0.00000000
 -0.00688040  0.63861940 -0.54705200  0.16858390  0.00000000  0.00000000
  0.00242400  0.07581070  0.54387380 -0.20914250  0.00000000  0.00000000
 -0.00114910 -0.01352780  0.71435910 -0.45009180  0.00000000  0.00000000
  0.00030950  0.00319700  0.03534430  0.66039780  0.00000000  0.00000000
 -0.00013770 -0.00140560 -0.01028920  0.52841520  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 4
 -432.58580 -56.30982  -8.02962  -0.68589
* P-type functions
   12    5
        3886.35640000
         921.20201000
         297.19319000
         111.97508000
          46.03462100
          19.87419400
           8.38608800
           3.55872800
           1.44728200
           0.34777900
           0.10769900
           0.03126800
  0.00140970 -0.00055190  0.00012360  0.00000000  0.00000000
  0.01182770 -0.00465500  0.00102400  0.00000000  0.00000000
  0.05932800 -0.02391760  0.00538050  0.00000000  0.00000000
  0.19651150 -0.08256270  0.01824430  0.00000000  0.00000000
  0.39978910 -0.18067910  0.04159790  0.00000000  0.00000000
  0.40046530 -0.17248480  0.03629980  0.00000000  0.00000000
  0.11641960  0.20867000 -0.05235690  0.00000000  0.00000000
  0.00069180  0.58236220 -0.17916670  0.00000000  0.00000000
  0.00216330  0.35374650 -0.07404770  0.00000000  0.00000000
 -0.00041500  0.02064390  0.53580940  0.00000000  0.00000000
  0.00014520 -0.00363820  0.58881040  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -50.15375  -5.88068  -0.36946
* D-type functions
    7    3
          84.42423400
          24.18158900
           8.40177700
           2.98050200
           0.97900300
           0.30980000
           0.10780000
  0.02452880  0.00000000  0.00000000
  0.14113400  0.00000000  0.00000000
  0.36875790  0.00000000  0.00000000
  0.48406260  0.00000000  0.00000000
  0.28244340  0.00000000  0.00000000
  0.00000000  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -2.11262
/Se.aug-cc-pVDZ..15s12p7d.6s5p3d..
Ref: A.K. Wilson, D.E. Woon, K.A. Peterson and T.H. Dunning, Jr. J. Chem. Phys. 110, 7667 (1999).
SELENIUM     (14s,11p,6d) -> [5s,4p,2d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         34.   2
* S-type functions
   15    6
      598990.00000000
       89783.00000000
       20435.00000000
        5786.90000000
        1887.30000000
         680.97000000
         265.39000000
         108.63000000
          33.76000000
          14.46500000
           4.38900000
           1.87830000
           0.35859000
           0.13649000
           0.04874700
  0.00020040 -0.00006290  0.00002470 -0.00000720  0.00000000  0.00000000
  0.00155540 -0.00048500  0.00019130 -0.00005590  0.00000000  0.00000000
  0.00808720 -0.00256440  0.00100680 -0.00029380  0.00000000  0.00000000
  0.03303440 -0.01047610  0.00415140 -0.00121360  0.00000000  0.00000000
  0.10829240 -0.03672230  0.01449910 -0.00423400  0.00000000  0.00000000
  0.27033610 -0.09992250  0.04056580 -0.01190350  0.00000000  0.00000000
  0.42062360 -0.21419730  0.08853640 -0.02602060  0.00000000  0.00000000
  0.28159220 -0.18365930  0.08542120 -0.02561480  0.00000000  0.00000000
  0.03081100  0.46754540 -0.29325810  0.09194270  0.00000000  0.00000000
 -0.00716170  0.64147400 -0.55707270  0.18387000  0.00000000  0.00000000
  0.00260220  0.07925690  0.52614360 -0.21884610  0.00000000  0.00000000
 -0.00125830 -0.01426970  0.73203710 -0.48965240  0.00000000  0.00000000
  0.00034650  0.00337920  0.03882460  0.67758180  0.00000000  0.00000000
 -0.00015030 -0.00145370 -0.01050360  0.52967210  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 4
 -460.86751 -60.66916  -8.93244  -0.83750
* P-type functions
   12    5
        4135.60000000
         980.34000000
         316.35000000
         119.25000000
          49.06800000
          21.21200000
           8.94620000
           3.82360000
           1.58830000
           0.40969000
           0.12459000
           0.03549200
  0.00141270 -0.00056100  0.00013660  0.00000000  0.00000000
  0.01185880 -0.00473400  0.00113080  0.00000000  0.00000000
  0.05951530 -0.02435040  0.00595810  0.00000000  0.00000000
  0.19722010 -0.08410710  0.02018660  0.00000000  0.00000000
  0.40074390 -0.18413840  0.04619390  0.00000000  0.00000000
  0.39947400 -0.17350040  0.03940500  0.00000000  0.00000000
  0.11533640  0.21672630 -0.05928460  0.00000000  0.00000000
  0.00022190  0.58500990 -0.20146630  0.00000000  0.00000000
  0.00228380  0.34168160 -0.06878210  0.00000000  0.00000000
 -0.00047560  0.01991250  0.55959440  0.00000000  0.00000000
  0.00015160 -0.00261310  0.57097840  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -54.26928  -6.66187  -0.40299
* D-type functions
    7    3
          94.47200000
          27.18000000
           9.50680000
           3.41680000
           1.14790000
           0.36820000
           0.12830000
  0.02349820  0.00000000  0.00000000
  0.13751830  0.00000000  0.00000000
  0.36648240  0.00000000  0.00000000
  0.48747170  0.00000000  0.00000000
  0.27657690  0.00000000  0.00000000
  0.00000000  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -2.64972
/Br.aug-cc-pVDZ..15s12p7d.6s5p3d..
Ref: A.K. Wilson, D.E. Woon, K.A. Peterson and T.H. Dunning, Jr. J. Chem. Phys. 110, 7667 (1999).
BROMINE      (14s,11p,6d) -> [5s,4p,2d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         35.   2
* S-type functions
   15    6
      640100.00000000
       95938.00000000
       21833.00000000
        6181.90000000
        2015.70000000
         727.10000000
         283.28000000
         115.91000000
          36.12400000
          15.53200000
           4.78570000
           2.08170000
           0.42028000
           0.16069000
           0.05694600
  0.00019840 -0.00006250  0.00002480 -0.00000760  0.00000000  0.00000000
  0.00154000 -0.00048160  0.00019190 -0.00005880  0.00000000  0.00000000
  0.00800960 -0.00254660  0.00101000 -0.00030920  0.00000000  0.00000000
  0.03273410 -0.01041120  0.00416590 -0.00127660  0.00000000  0.00000000
  0.10744800 -0.03651790  0.01456830 -0.00446340  0.00000000  0.00000000
  0.26889460 -0.09962950  0.04083450 -0.01255750  0.00000000  0.00000000
  0.42044110 -0.21413100  0.08948590 -0.02761450  0.00000000  0.00000000
  0.28380410 -0.18609110  0.08727860 -0.02739450  0.00000000  0.00000000
  0.03154550  0.46282610 -0.29336440  0.09640940  0.00000000  0.00000000
 -0.00742680  0.64411410 -0.56671090  0.19768710  0.00000000  0.00000000
  0.00277280  0.08255020  0.51056580 -0.22666930  0.00000000  0.00000000
 -0.00136350 -0.01496940  0.74772140 -0.52411650  0.00000000  0.00000000
  0.00038120  0.00352880  0.04215120  0.68898650  0.00000000  0.00000000
 -0.00016150 -0.00149090 -0.01066120  0.53443310  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 4
 -490.05997 -65.20008  -9.87188  -0.99263
* P-type functions
   12    5
        4340.80000000
        1028.90000000
         332.02000000
         125.16000000
          51.51100000
          22.28100000
           9.34170000
           4.01320000
           1.70020000
           0.47194000
           0.14421000
           0.04104900
  0.00144480 -0.00058190  0.00015180  0.00000000  0.00000000
  0.01212880 -0.00490650  0.00125630  0.00000000  0.00000000
  0.06080770 -0.02525140  0.00662240  0.00000000  0.00000000
  0.20093580 -0.08694450  0.02238160  0.00000000  0.00000000
  0.40474190 -0.18934220  0.05097170  0.00000000  0.00000000
  0.39571510 -0.17108820  0.04140090  0.00000000  0.00000000
  0.11022130  0.23687550 -0.07039700  0.00000000  0.00000000
 -0.00090900  0.58984000 -0.22325400  0.00000000  0.00000000
  0.00248320  0.31719440 -0.05641790  0.00000000  0.00000000
 -0.00057440  0.01798330  0.58080790  0.00000000  0.00000000
  0.00016910 -0.00146830  0.55081320  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -58.55431  -7.47821  -0.45703
* D-type functions
    7    3
         104.83000000
          30.27200000
          10.64900000
           3.86960000
           1.32390000
           0.40980000
           0.17190000
  0.02265830  0.00000000  0.00000000
  0.13458950  0.00000000  0.00000000
  0.36471810  0.00000000  0.00000000
  0.49041960  0.00000000  0.00000000
  0.27138850  0.00000000  0.00000000
  0.00000000  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -3.22020
/Kr.aug-cc-pVDZ..15s12p7d.6s5p3d..
Ref: A.K. Wilson, D.E. Woon, K.A. Peterson and T.H. Dunning, Jr. J. Chem. Phys. 110, 7667 (1999).
KRYPTON      (14s,11p,6d) -> [5s,4p,2d], Diffuse (1s,1p,1d)
Options
OrbitalEnergies
EndOptions
         36.   2
* S-type functions
   15    6
      681358.82000000
      102126.48000000
       23243.71000000
        6582.00730000
        2146.42860000
         774.33782000
         301.67020000
         123.41184000
          38.56755100
          16.63737900
           5.19879500
           2.29481400
           0.48521100
           0.18627000
           0.06514500
  0.00019690 -0.00006220  0.00002490 -0.00000790  0.00000000  0.00000000
  0.00152860 -0.00047940  0.00019280 -0.00006140  0.00000000  0.00000000
  0.00795000 -0.00253410  0.00101490 -0.00032300  0.00000000  0.00000000
  0.03249380 -0.01036360  0.00418570 -0.00133300  0.00000000  0.00000000
  0.10672400 -0.03635160  0.01464590 -0.00466720  0.00000000  0.00000000
  0.26757010 -0.09937370  0.04110700 -0.01313520  0.00000000  0.00000000
  0.42018510 -0.21406100  0.09039550 -0.02903420  0.00000000  0.00000000
  0.28580150 -0.18831920  0.08906230 -0.02901730  0.00000000  0.00000000
  0.03224610  0.45838160 -0.29357180  0.10026640  0.00000000  0.00000000
 -0.00768280  0.64656640 -0.57596980  0.21038180  0.00000000  0.00000000
  0.00293930  0.08565790  0.49685780 -0.23324710  0.00000000  0.00000000
 -0.00146620 -0.01561230  0.76168950 -0.55464970  0.00000000  0.00000000
  0.00041440  0.00364900  0.04532670  0.69695220  0.00000000  0.00000000
 -0.00017200 -0.00151890 -0.01077220  0.54081520  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 4
 -520.16529 -69.90320 -10.84949  -1.15288
* P-type functions
   12    5
        4474.26990000
        1060.57900000
         342.20812000
         128.99842000
          53.08722200
          22.95942500
           9.50730000
           4.08305500
           1.75044600
           0.52919000
           0.16436900
           0.04660600
  0.00151950 -0.00062080  0.00017010  0.00000000  0.00000000
  0.01274240 -0.00522120  0.00140640  0.00000000  0.00000000
  0.06364650 -0.02684630  0.00739630  0.00000000  0.00000000
  0.20856350 -0.09158230  0.02482540  0.00000000  0.00000000
  0.41224230 -0.19681640  0.05571550  0.00000000  0.00000000
  0.38781030 -0.16347500  0.04121320  0.00000000  0.00000000
  0.10038200  0.27382040 -0.08760570  0.00000000  0.00000000
 -0.00250780  0.59815920 -0.24405860  0.00000000  0.00000000
  0.00271390  0.27504530 -0.02950070  0.00000000  0.00000000
 -0.00069770  0.01277060  0.60122950  0.00000000  0.00000000
  0.00021070 -0.00101350  0.52548070  1.00000000  0.00000000
  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
 3
 -63.00992  -8.33152  -0.52412
* D-type functions
    7    3
         115.52532000
          33.46524600
          11.83045900
           4.33977100
           1.50752400
           0.50300000
           0.21550000
  0.02195570  0.00000000  0.00000000
  0.13216200  0.00000000  0.00000000
  0.36334840  0.00000000  0.00000000
  0.49295820  0.00000000  0.00000000
  0.26675600  0.00000000  0.00000000
  0.00000000  1.00000000  0.00000000
  0.00000000  0.00000000  1.00000000
 1
 -3.82526
