
5s-Block Double-Zeta Basis Set Archive
======================================


Date: 5 Nov 2009


When publishing work that uses these basis sets, please use the following citation:

K.G. Dyall, J. Phys. Chem. A (2009) 113:12638. Available from the Dirac web site, 
http://dirac.chem.sdu.dk.


This archive contains the exponents and the SCF orbital coefficients, given
with respect to normalized (spherical or 2-spinor) Gaussian functions, for
the basis sets described in the above articles. 

NOTE: Functions are counted from the function with the smallest exponent to the largest. 

The SCF exponent sets were generated as follows:

* Optimization of the s, p, and d sets separately, on the total energy of the
  ground state
* Optimization of 2 functions for the 5p of Rb followed by reoptimization of the
  functions for the 3p-4p outer antinodes with the 5p functions included and
  held fixed, on the total energy of the 5p1 configuration
* Optimization of 2 functions for the 5p of Sr along with reoptimization of the 
  functions for the 3p-4p outer antinodes, on the total energy of the 5p2
  configuration
* Addition of the 4p-correlating d function and reoptimization of the remainder.

In all the following descriptions, this is the set referred to as the SCF 
exponent set. 

The correlating functions were generated as follows

* Functions for the 4s4p and 3d shells were optimized in SDCI calculations with
  excitations out of these shells coupled to J=0. Only the higher angular
  functions were included in the correlating space (1d and 1f).
* The correlating d function for the 5s in Sr was optimized in MR-SDCI
  calculations with the 5s and 5p orbitals in the active space.

The functions for 4p dipole polarization were generated as follows:

* A polarizing s function was optimized on the polarizability of the 4p shell
  with 4p -> ns excitations in the perturbing space. The uncontracted SCF s
  function (see below) for the 4s was included and its exponent was held fixed. 
* The ratio of the dipole polarizing s exponent to the outer SCF s exponent for
  the 4s (3rd exponent) was applied to the outer p exponent for the 4p (3rd
  exponent) to generate a p function.
* A polarizing d function was optimized on the polarizability of the 4p shell
  with 4p -> nd excitations in the perturbing space. The 4p correlating d
  function was included and its exponent was held fixed. 

The contractions are taken from SCF calculations on a weighted average of the
5s^n and 5p^n configurations, with a weight ratio of 4:1.


The archive is set out as follows.

1. Exponents and SCF coefficients for Dirac-Hartree-Fock wave functions, in order
   of Z. The large component functions are given first, followed by the small 
   component functions. Both components are labelled with the large component
   symmetry type, but the primitive functions for the small component are
   those obtained by restricted kinetic balance from the large component.
   The spin-orbit components have a "-" label for j=l-1/2 and a "+" label for
   j=l+1/2.

2. Exponents and SCF coefficients for spin-free modified Dirac-Hartree-Fock wave
   functions, in order of Z. The large component functions are given first, 
   followed by the pseudo-large component functions, then the Foldy-Wouthuysen
   transformed large component functions. Note that all components have the same
   symmetry type. 

3. Exponents of correlating functions, valence (d) and core (f).

4. Exponents of 4s4p polarizing functions


Basis set construction.
----------------------

For the s elements, the outer core (n-1)s and (n-1)p must be included in the valence.
For Sr, the valence np is considered an occupied orbital and is correlated; hence 
there is an extra correlating d function for Sr. 

Several different types of basis set may be constructed by adding primitive 
functions to the SCF set. These basis sets are described below.

NOTE: Functions are counted from the function with the smallest exponent to the largest. 

1. Valence and outer core. To the SCF occupied set, add the following:
   1st and 3rd s primitives from the SCF set
   1st and 3rd p primitives from the SCF set
   1st d primitive from the SCF set (correlating d for 4p)
   Valence correlating d function for Sr

   (HF + 2s2p1d/2d valence)


2. Core 3d correlation. To basis set 1, add the following:
   5th s primitive from the SCF set
   5th p primitive from the SCF set
   2nd d primitive from the SCF set
   core correlating 1f function.

   (HF + 2s2p1d/2d valence + 1s1p1d1f core)


3. Outer core (4s4p) polarization. To any of the above basis sets, add the 
   1s1p1d polarizing set.





Dirac-Hartree-Fock basis sets           
=============================           




** Rb 85 **



  Large component functions
  -------------------------


                           1s+            2s+            3s+            4s+            5s+

    1  2.1963526E+07  3.0141861E-05 -9.8322150E-06  3.9947849E-06 -1.3509328E-06  2.8566058E-07
    2  2.9518527E+06  1.2272694E-04 -4.0168659E-05  1.6340286E-05 -5.5236840E-06  1.1670434E-06
    3  5.8741824E+05  4.4383775E-04 -1.4578634E-04  5.9251363E-05 -2.0047156E-05  4.2417600E-06
    4  1.4602163E+05  1.5304797E-03 -5.0530214E-04  2.0595287E-04 -6.9599565E-05  1.4692556E-05
    5  4.2459382E+04  5.0731463E-03 -1.6823684E-03  6.8391654E-04 -2.3158367E-04  4.9054713E-05
    6  1.3881722E+04  1.5905766E-02 -5.3307427E-03  2.1795771E-03 -7.3628559E-04  1.5524166E-04
    7  4.9724483E+03  4.6115873E-02 -1.5744518E-02  6.4165548E-03 -2.1758579E-03  4.6159434E-04
    8  1.9156135E+03  1.1868191E-01 -4.2585916E-02  1.7601348E-02 -5.9488964E-03  1.2522865E-03
    9  7.8249450E+02  2.5128462E-01 -9.9960352E-02  4.1497833E-02 -1.4139468E-02  3.0081859E-03
   10  3.3493424E+02  3.7231521E-01 -1.8713151E-01  8.1460592E-02 -2.7677477E-02  5.8056885E-03
   11  1.4758992E+02  2.8286728E-01 -1.9494173E-01  8.7454664E-02 -3.0506225E-02  6.5938391E-03
   12  6.0341278E+01  5.6289746E-02  1.5524873E-01 -8.1514633E-02  3.0120071E-02 -6.8086200E-03
   13  2.9164451E+01 -6.3512486E-03  6.0546332E-01 -4.7418907E-01  1.7522756E-01 -3.6474203E-02
   14  1.3893416E+01  2.9183569E-03  3.7881655E-01 -3.4164712E-01  1.4067673E-01 -3.2079311E-02
   15  5.3453414E+00 -1.1697719E-03  3.5637415E-02  6.4517732E-01 -3.4311682E-01  8.0082130E-02
   16  2.3927260E+00  4.6731716E-04 -3.1003858E-03  6.4671295E-01 -5.3424598E-01  1.1949056E-01
   17  6.1062235E-01 -1.4936469E-04  8.8670908E-04  3.8472125E-02  6.9589663E-01 -1.8304516E-01
   18  2.5156572E-01  7.0604654E-05 -4.4416361E-04 -8.6471238E-03  5.7211915E-01 -3.2393612E-01
   19  3.1822407E-02 -1.9567177E-05  1.1559991E-04  2.0786588E-03  1.5264755E-02  7.5322888E-01
   20  1.4512236E-02  1.0923048E-05 -6.4420104E-05 -1.1466027E-03 -6.2091442E-03  3.7157667E-01


                           2p-            3p-            4p-            5p-

    1  1.7384988E+04  9.4767344E-04 -3.9181302E-04  1.1704627E-04 -1.7793592E-05
    2  3.1303841E+03  4.7785790E-03 -1.9907283E-03  5.9854630E-04 -9.1055519E-05
    3  8.7704862E+02  2.3033397E-02 -9.6547309E-03  2.8792949E-03 -4.3758706E-04
    4  3.0382294E+02  8.9094579E-02 -3.8577560E-02  1.1692714E-02 -1.7799569E-03
    5  1.1928269E+02  2.4763754E-01 -1.1167679E-01  3.3541164E-02 -5.0989758E-03
    6  5.0439884E+01  4.2200235E-01 -2.0654848E-01  6.4379599E-02 -9.8224739E-03
    7  2.2405674E+01  3.3242918E-01 -1.1594327E-01  2.9847602E-02 -4.4640183E-03
    8  9.5881259E+00  7.2618259E-02  3.3436601E-01 -1.2238366E-01  1.8796228E-02
    9  4.2188963E+00 -1.2421915E-03  5.7796232E-01 -2.6337453E-01  4.1368564E-02
   10  1.8615779E+00  1.7937328E-03  2.2925415E-01 -5.1997132E-03 -1.0709226E-03
   11  6.5124940E-01 -5.2230208E-04  1.0111323E-02  6.0106604E-01 -1.0463306E-01
   12  2.3130827E-01  1.7370711E-04 -2.4237565E-04  5.0059447E-01 -1.1672914E-01
   13  3.3587806E-02 -4.3318618E-05  3.9849533E-05  3.1283539E-02  5.1743994E-01
   14  1.2931333E-02  2.1740134E-05 -2.1931777E-05 -1.1337211E-02  5.6879683E-01


                           2p+            3p+            4p+            5p+

    1  1.7384988E+04  2.4506797E-04 -1.0151178E-04  3.0071649E-05 -4.6505922E-06
    2  3.1303841E+03  2.9079777E-03 -1.2157316E-03  3.6479619E-04 -5.6557493E-05
    3  8.7704862E+02  1.8672310E-02 -7.8379356E-03  2.3254576E-03 -3.5965170E-04
    4  3.0382294E+02  8.0529298E-02 -3.4905020E-02  1.0535722E-02 -1.6342569E-03
    5  1.1928269E+02  2.3642331E-01 -1.0669568E-01  3.1905203E-02 -4.9351652E-03
    6  5.0439884E+01  4.1957127E-01 -2.0567986E-01  6.3766326E-02 -9.9188095E-03
    7  2.2405674E+01  3.4643874E-01 -1.3089650E-01  3.4939236E-02 -5.3093829E-03
    8  9.5881259E+00  8.1136315E-02  3.1228071E-01 -1.1359464E-01  1.7665977E-02
    9  4.2188963E+00 -1.3499351E-03  5.8312590E-01 -2.6209856E-01  4.2090982E-02
   10  1.8615779E+00  2.0769837E-03  2.4746592E-01 -2.5985205E-02  2.0165417E-03
   11  6.5124940E-01 -6.1906455E-04  1.2530668E-02  5.8089348E-01 -1.0119281E-01
   12  2.3130827E-01  2.0693049E-04 -4.7053917E-04  5.2679287E-01 -1.2647926E-01
   13  3.3587806E-02 -5.1685566E-05  9.0752069E-05  3.8107155E-02  4.9646272E-01
   14  1.2931333E-02  2.5940354E-05 -4.7603874E-05 -1.4015479E-02  5.8983294E-01


                           3d-

    1  3.9234631E+02  2.5084768E-03
    2  1.1546872E+02  1.9867137E-02
    3  4.3376715E+01  8.5892187E-02
    4  1.8180756E+01  2.3211537E-01
    5  7.9657036E+00  3.8202753E-01
    6  3.4816078E+00  3.7881154E-01
    7  1.4491999E+00  1.6880252E-01
    8  4.3130827E-01  1.2898098E-02


                           3d+

    1  3.9234631E+02  2.2456315E-03
    2  1.1546872E+02  1.9040348E-02
    3  4.3376715E+01  8.4032814E-02
    4  1.8180756E+01  2.2934329E-01
    5  7.9657036E+00  3.8041066E-01
    6  3.4816078E+00  3.8119766E-01
    7  1.4491999E+00  1.7257170E-01
    8  4.3130827E-01  1.3508418E-02



  Small component functions
  -------------------------


                           1s+            2s+            3s+            4s+            5s+

    1  2.1963526E+07 -9.1617321E-05  2.9815118E-05 -1.2102494E-05  4.0940692E-06 -8.6627964E-07
    2  2.9518527E+06 -3.4382266E-04  1.1197512E-04 -4.5550935E-05  1.5390386E-05 -3.2493434E-06
    3  5.8741824E+05 -9.5278411E-04  3.1017399E-04 -1.2583424E-04  4.2583474E-05 -9.0162877E-06
    4  1.4602163E+05 -2.3126543E-03  7.5444876E-04 -3.0719049E-04  1.0375125E-04 -2.1888401E-05
    5  4.2459382E+04 -5.0830059E-03  1.6611274E-03 -6.7371012E-04  2.2811765E-04 -4.8341443E-05
    6  1.3881722E+04 -1.0289483E-02  3.3947124E-03 -1.3856064E-03  4.6783105E-04 -9.8602249E-05
    7  4.9724483E+03 -1.9155439E-02  6.4357947E-03 -2.6169106E-03  8.8722328E-04 -1.8825705E-04
    8  1.9156135E+03 -3.1855108E-02  1.1255258E-02 -4.6435050E-03  1.5687776E-03 -3.3017514E-04
    9  7.8249450E+02 -4.4090191E-02  1.7288220E-02 -7.1639327E-03  2.4404082E-03 -5.1923509E-04
   10  3.3493424E+02 -4.3267971E-02  2.1461948E-02 -9.3288910E-03  3.1687822E-03 -6.6463887E-04
   11  1.4758992E+02 -2.1956786E-02  1.4979879E-02 -6.7165602E-03  2.3425959E-03 -5.0631255E-04
   12  6.0341278E+01 -2.8007562E-03 -7.5648306E-03  3.9579516E-03 -1.4623318E-03  3.3073366E-04
   13  2.9164451E+01  2.1994809E-04 -2.0677504E-02  1.6165688E-02 -5.9722568E-03  1.2430987E-03
   14  1.3893416E+01 -6.9663250E-05 -8.9365510E-03  8.0528336E-03 -3.3157972E-03  7.5607179E-04
   15  5.3453414E+00  1.7302268E-05 -5.2223908E-04 -9.4246120E-03  5.0107733E-03 -1.1694709E-03
   16  2.3927260E+00 -4.6216359E-06  3.0646523E-05 -6.3239863E-03  5.2228949E-03 -1.1681651E-03
   17  6.1062235E-01  7.4352286E-07 -4.4724541E-06 -1.8993320E-04 -3.4365321E-03  9.0389562E-04
   18  2.5156572E-01 -2.2469927E-07  1.4498054E-06  2.7365860E-05 -1.8135243E-03  1.0267965E-03
   19  3.1822407E-02  2.1785592E-08 -1.4021659E-07 -2.3313230E-06 -1.7207588E-05 -8.4915887E-04
   20  1.4512236E-02 -8.0915964E-09  5.4689023E-08  8.6581426E-07  4.7262137E-06 -2.8288711E-04


                           2p-            3p-            4p-            5p-

    1  1.7384988E+04 -3.3017413E-04  1.3652703E-04 -4.0660457E-05  6.1790727E-06
    2  3.1303841E+03 -1.5319065E-03  6.3913579E-04 -1.9249220E-04  2.9288836E-05
    3  8.7704862E+02 -4.9337747E-03  2.0679289E-03 -6.1632450E-04  9.3660410E-05
    4  3.0382294E+02 -1.2127813E-02  5.2527293E-03 -1.5925370E-03  2.4243616E-04
    5  1.1928269E+02 -2.1683344E-02  9.7818388E-03 -2.9376432E-03  4.4657922E-04
    6  5.0439884E+01 -2.4258812E-02  1.1884359E-02 -3.7049982E-03  5.6528593E-04
    7  2.2405674E+01 -1.2746419E-02  4.4555604E-03 -1.1472258E-03  1.7157816E-04
    8  9.5881259E+00 -1.7771917E-03 -8.4505644E-03  3.0915980E-03 -4.7480869E-04
    9  4.2188963E+00  4.9161714E-05 -9.6887213E-03  4.4140023E-03 -6.9330410E-04
   10  1.8615779E+00 -3.8877391E-07 -2.5540515E-03  5.9124915E-05  1.1721842E-05
   11  6.5124940E-01  1.2742867E-05 -6.7337800E-05 -3.9567511E-03  6.8879334E-04
   12  2.3130827E-01  4.9435347E-06  5.0859908E-07 -1.9639177E-03  4.5797739E-04
   13  3.3587806E-02  2.3092795E-06 -2.3891632E-07 -4.6619575E-05 -7.7371533E-04
   14  1.2931333E-02  1.6082819E-07  6.4160563E-09  1.0530314E-05 -5.2771521E-04


                           2p+            3p+            4p+            5p+

    1  1.7384988E+04 -2.1968586E-04  9.0772538E-05 -2.6856972E-05  4.1525618E-06
    2  3.1303841E+03 -1.2347969E-03  5.1522492E-04 -1.5461176E-04  2.3972109E-05
    3  8.7704862E+02 -4.3760733E-03  1.8331167E-03 -5.4363153E-04  8.4072868E-05
    4  3.0382294E+02 -1.1309208E-02  4.8932079E-03 -1.4767080E-03  2.2906051E-04
    5  1.1928269E+02 -2.0976266E-02  9.4517388E-03 -2.8256709E-03  4.3707181E-04
    6  5.0439884E+01 -2.4295518E-02  1.1895382E-02 -3.6873762E-03  5.7356516E-04
    7  2.2405674E+01 -1.3393297E-02  5.0592107E-03 -1.3508909E-03  2.0529228E-04
    8  9.5881259E+00 -2.0526948E-03 -7.8846628E-03  2.8675129E-03 -4.4594107E-04
    9  4.2188963E+00  2.2572556E-05 -9.7725212E-03  4.3917132E-03 -7.0526797E-04
   10  1.8615779E+00 -2.3099862E-05 -2.7552689E-03  2.8947797E-04 -2.2487703E-05
   11  6.5124940E-01  4.0627782E-06 -8.2521882E-05 -3.8245756E-03  6.6624056E-04
   12  2.3130827E-01 -8.0641161E-07  1.8475569E-06 -2.0671023E-03  4.9628977E-04
   13  3.3587806E-02  7.5994324E-08 -1.3587237E-07 -5.6979759E-05 -7.4232948E-04
   14  1.2931333E-02 -2.3400354E-08  4.4246765E-08  1.3003115E-05 -5.4723217E-04


                           3d-

    1  3.9234631E+02 -4.4379392E-04
    2  1.1546872E+02 -2.0197490E-03
    3  4.3376715E+01 -5.4191738E-03
    4  1.8180756E+01 -9.5264906E-03
    5  7.9657036E+00 -1.0394570E-02
    6  3.4816078E+00 -6.8188484E-03
    7  1.4491999E+00 -1.9597950E-03
    8  4.3130827E-01 -8.1127728E-05


                           3d+

    1  3.9234631E+02 -4.2056811E-04
    2  1.1546872E+02 -1.9606426E-03
    3  4.3376715E+01 -5.3274039E-03
    4  1.8180756E+01 -9.4313468E-03
    5  7.9657036E+00 -1.0361803E-02
    6  3.4816078E+00 -6.8662624E-03
    7  1.4491999E+00 -2.0056650E-03
    8  4.3130827E-01 -8.5647259E-05




** Sr 88 **



  Large component functions
  -------------------------


                           1s+            2s+            3s+            4s+            5s+

    1  2.3304046E+07  3.1415558E-05 -1.0291674E-05  4.2187807E-06 -1.5000630E-06  3.8777646E-07
    2  3.1782044E+06  1.2594629E-04 -4.1397302E-05  1.6990111E-05 -6.0394900E-06  1.5607279E-06
    3  6.3676920E+05  4.4831931E-04 -1.4792105E-04  6.0658904E-05 -2.1577183E-05  5.5793621E-06
    4  1.5872328E+05  1.5240985E-03 -5.0543632E-04  2.0784586E-04 -7.3871245E-05  1.9083576E-05
    5  4.6189239E+04  4.9984443E-03 -1.6658125E-03  6.8332773E-04 -2.4323142E-04  6.2923880E-05
    6  1.5098201E+04  1.5566853E-02 -5.2404809E-03  2.1618052E-03 -7.6818849E-04  1.9835588E-04
    7  5.4046088E+03  4.4986883E-02 -1.5430816E-02  6.3457828E-03 -2.2616172E-03  5.8547979E-04
    8  2.0802477E+03  1.1584283E-01 -4.1677612E-02  1.7376700E-02 -6.1794539E-03  1.5947537E-03
    9  8.4893158E+02  2.4655554E-01 -9.8182212E-02  4.1117527E-02 -1.4719896E-02  3.8162451E-03
   10  3.6302331E+02  3.7034400E-01 -1.8495373E-01  8.1142245E-02 -2.9029030E-02  7.4856009E-03
   11  1.5990982E+02  2.8894360E-01 -1.9886831E-01  8.9962822E-02 -3.2906898E-02  8.5979109E-03
   12  6.6162537E+01  6.0770873E-02  1.3452835E-01 -7.0630842E-02  2.7331768E-02 -7.3289107E-03
   13  3.1927432E+01 -6.0032372E-03  6.0009857E-01 -4.6783228E-01  1.8263488E-01 -4.7313884E-02
   14  1.5177362E+01  2.8872975E-03  3.9881439E-01 -3.6871155E-01  1.5885224E-01 -4.2967699E-02
   15  5.8390621E+00 -1.1982934E-03  4.0022798E-02  6.2729342E-01 -3.5161817E-01  9.8534324E-02
   16  2.6491446E+00  5.0822225E-04 -3.9750069E-03  6.6466122E-01 -5.8561700E-01  1.6874187E-01
   17  7.2394544E-01 -1.8361684E-04  1.2352241E-03  4.5488711E-02  6.7365336E-01 -2.4205577E-01
   18  3.1836459E-01  9.3527348E-05 -6.5195641E-04 -1.0564743E-02  6.1375994E-01 -3.9748988E-01
   19  5.5258273E-02 -2.6031762E-05  1.7178950E-04  2.4475733E-03  1.8860677E-02  6.8905615E-01
   20  2.2976276E-02  1.2446700E-05 -8.1299820E-05 -1.1590646E-03 -6.0041054E-03  4.8839669E-01


                           2p-            3p-            4p-            5p-

    1  2.0290585E+04  9.1071263E-04 -3.8098430E-04  1.2232175E-04 -2.7188485E-05
    2  3.5964428E+03  4.4545990E-03 -1.8755584E-03  6.0556094E-04 -1.3454610E-04
    3  9.9724739E+02  2.1223599E-02 -9.0011913E-03  2.8861896E-03 -6.4184562E-04
    4  3.4330233E+02  8.2645857E-02 -3.6091374E-02  1.1744255E-02 -2.6100042E-03
    5  1.3427862E+02  2.3469854E-01 -1.0690621E-01  3.4541463E-02 -7.6909650E-03
    6  5.6676612E+01  4.1446712E-01 -2.0387057E-01  6.8154504E-02 -1.5161261E-02
    7  2.5241144E+01  3.4675018E-01 -1.3594269E-01  3.9665253E-02 -8.8285069E-03
    8  1.1054288E+01  8.5954407E-02  2.8779074E-01 -1.1467207E-01  2.6224734E-02
    9  4.9610374E+00  6.0884509E-05  5.7623294E-01 -2.7953515E-01  6.3868357E-02
   10  2.2411384E+00  1.8156766E-03  2.7385675E-01 -5.2405163E-02  1.0839403E-02
   11  8.0823911E-01 -5.3905968E-04  1.7595934E-02  5.8504827E-01 -1.6104223E-01
   12  3.0806178E-01  1.9857879E-04 -1.2354168E-03  5.2312071E-01 -1.7023350E-01
   13  6.2278256E-02 -5.6163174E-05  2.6014506E-04  4.1140522E-02  5.4439325E-01
   14  2.2269031E-02  2.4413825E-05 -1.2140709E-04 -9.8163069E-03  5.7248056E-01


                           2p+            3p+            4p+            5p+

    1  2.0290585E+04  2.1338119E-04 -8.9542627E-05  2.8565909E-05 -6.4008039E-06
    2  3.5964428E+03  2.5751121E-03 -1.0883861E-03  3.5122916E-04 -7.8700342E-05
    3  9.9724739E+02  1.6831037E-02 -7.1527163E-03  2.2854656E-03 -5.1219230E-04
    4  3.4330233E+02  7.3911569E-02 -3.2323545E-02  1.0490579E-02 -2.3516603E-03
    5  1.3427862E+02  2.2280633E-01 -1.0159860E-01  3.2736518E-02 -7.3432757E-03
    6  5.6676612E+01  4.1079937E-01 -2.0242891E-01  6.7413438E-02 -1.5136628E-02
    7  2.5241144E+01  3.6073419E-01 -1.5045944E-01  4.5017944E-02 -1.0062391E-02
    8  1.1054288E+01  9.5899143E-02  2.6421654E-01 -1.0500365E-01  2.4080511E-02
    9  4.9610374E+00  2.7108567E-04  5.7801591E-01 -2.7685938E-01  6.4027191E-02
   10  2.2411384E+00  2.0872015E-03  2.9418149E-01 -7.4596861E-02  1.5798189E-02
   11  8.0823911E-01 -6.3622573E-04  2.1372374E-02  5.6215005E-01 -1.5329020E-01
   12  3.0806178E-01  2.3571430E-04 -1.6798990E-03  5.4956853E-01 -1.8410091E-01
   13  6.2278256E-02 -6.6823878E-05  3.7178659E-04  4.8967945E-02  5.1750989E-01
   14  2.2269031E-02  2.9046207E-05 -1.7071654E-04 -1.1937798E-02  5.9941660E-01


                           3d-

    1  4.3326765E+02  2.3995290E-03
    2  1.2736529E+02  1.9098337E-02
    3  4.7904690E+01  8.3482897E-02
    4  2.0124370E+01  2.2871630E-01
    5  8.8564817E+00  3.8192353E-01
    6  3.9002770E+00  3.8114927E-01
    7  1.6408028E+00  1.6795691E-01
    8  4.9525124E-01  1.1834742E-02


                           3d+

    1  4.3326765E+02  2.1277029E-03
    2  1.2736529E+02  1.8239748E-02
    3  4.7904690E+01  8.1543658E-02
    4  2.0124370E+01  2.2581929E-01
    5  8.8564817E+00  3.8022266E-01
    6  3.9002770E+00  3.8364990E-01
    7  1.6408028E+00  1.7184262E-01
    8  4.9525124E-01  1.2422276E-02



  Small component functions
  -------------------------


                           1s+            2s+            3s+            4s+            5s+

    1  2.3304046E+07 -9.3074051E-05  3.0420856E-05 -1.2458504E-05  4.4308893E-06 -1.1457328E-06
    2  3.1782044E+06 -3.4933089E-04  1.1424001E-04 -4.6885845E-05  1.6659654E-05 -4.3038407E-06
    3  6.3676920E+05 -9.6506895E-04  3.1556101E-04 -1.2916482E-04  4.5950485E-05 -1.1884990E-05
    4  1.5872328E+05 -2.3391893E-03  7.6619940E-04 -3.1474457E-04  1.1180533E-04 -2.8874875E-05
    5  4.6189239E+04 -5.1375859E-03  1.6864061E-03 -6.9009492E-04  2.4561024E-04 -6.3549578E-05
    6  1.5098201E+04 -1.0400376E-02  3.4440188E-03 -1.4181440E-03  5.0367580E-04 -1.3002995E-04
    7  5.4046088E+03 -1.9378285E-02  6.5357618E-03 -2.6813196E-03  9.5537320E-04 -2.4733862E-04
    8  2.0802477E+03 -3.2318525E-02  1.1439316E-02 -4.7601839E-03  1.6920994E-03 -4.3663618E-04
    9  8.4893158E+02 -4.5017019E-02  1.7655414E-02 -7.3794061E-03  2.6411050E-03 -6.8472989E-04
   10  3.6302331E+02 -4.4806911E-02  2.2066165E-02 -9.6655594E-03  3.4569057E-03 -8.9136856E-04
   11  1.5990982E+02 -2.3357487E-02  1.5902361E-02 -7.1891011E-03  2.6292982E-03 -6.8695661E-04
   12  6.6162537E+01 -3.1686139E-03 -6.8525033E-03  3.5829269E-03 -1.3862505E-03  3.7182098E-04
   13  3.1927432E+01  2.1772718E-04 -2.1441411E-02  1.6683965E-02 -6.5113977E-03  1.6867985E-03
   14  1.5177362E+01 -7.2095843E-05 -9.8345386E-03  9.0833111E-03 -3.9132725E-03  1.0584599E-03
   15  5.8390621E+00  1.8540516E-05 -6.1294489E-04 -9.5766972E-03  5.3663517E-03 -1.5037590E-03
   16  2.6491446E+00 -5.2936901E-06  4.1257835E-05 -6.8391007E-03  6.0240944E-03 -1.7357921E-03
   17  7.2394544E-01  9.9650346E-07 -6.7532408E-06 -2.4452611E-04 -3.6222159E-03  1.3014667E-03
   18  3.1836459E-01 -3.3546381E-07  2.3777207E-06  3.7609924E-05 -2.1886478E-03  1.4173896E-03
   19  5.5258273E-02  3.8398258E-08 -2.6852185E-07 -3.6173006E-06 -2.8017832E-05 -1.0236434E-03
   20  2.2976276E-02 -1.1665237E-08  8.4459205E-08  1.1006280E-06  5.7506636E-06 -4.6785354E-04


                           2p-            3p-            4p-            5p-

    1  2.0290585E+04 -3.1599867E-04  1.3229043E-04 -4.2357456E-05  9.4176224E-06
    2  3.5964428E+03 -1.4713216E-03  6.2036207E-04 -2.0063233E-04  4.4571518E-05
    3  9.9724739E+02 -4.7780473E-03  2.0265667E-03 -6.4941167E-04  1.4442880E-04
    4  3.4330233E+02 -1.1892946E-02  5.1949707E-03 -1.6909486E-03  3.7578227E-04
    5  1.3427862E+02 -2.1758020E-02  9.9144201E-03 -3.2031010E-03  7.1321143E-04
    6  5.6676612E+01 -2.5233671E-02  1.2423497E-02 -4.1540412E-03  9.2408625E-04
    7  2.5241144E+01 -1.4110214E-02  5.5452077E-03 -1.6184735E-03  3.6025803E-04
    8  1.1054288E+01 -2.2674640E-03 -7.8104813E-03  3.1102807E-03 -7.1126627E-04
    9  4.9610374E+00  3.1597076E-05 -1.0474931E-02  5.0800164E-03 -1.1606666E-03
   10  2.2411384E+00  6.2803835E-07 -3.3473886E-03  6.4161380E-04 -1.3275605E-04
   11  8.0823911E-01  1.5037247E-05 -1.2997014E-04 -4.2902913E-03  1.1809783E-03
   12  3.0806178E-01  5.6315139E-06  5.0893083E-06 -2.3684202E-03  7.7077892E-04
   13  6.2278256E-02  2.9418806E-06 -7.5204132E-07 -8.3544124E-05 -1.1084455E-03
   14  2.2269031E-02  7.0427031E-07  9.0911827E-08  1.2007276E-05 -6.9700619E-04


                           2p+            3p+            4p+            5p+

    1  2.0290585E+04 -2.0284165E-04  8.4910055E-05 -2.7054162E-05  6.0619212E-06
    2  3.5964428E+03 -1.1628640E-03  4.9044643E-04 -1.5827653E-04  3.5464144E-05
    3  9.9724739E+02 -4.1914878E-03  1.7773717E-03 -5.6764506E-04  1.2721074E-04
    4  3.4330233E+02 -1.1016057E-02  4.8083608E-03 -1.5602290E-03  3.4974602E-04
    5  1.3427862E+02 -2.0960147E-02  9.5417839E-03 -3.0736776E-03  6.8945682E-04
    6  5.6676612E+01 -2.5209720E-02  1.2405962E-02 -4.1307998E-03  9.2749258E-04
    7  2.5241144E+01 -1.4801928E-02  6.1707709E-03 -1.8467087E-03  4.1278373E-04
    8  1.1054288E+01 -2.6053750E-03 -7.1615439E-03  2.8454393E-03 -6.5253436E-04
    9  4.9610374E+00 -5.0185206E-06 -1.0504102E-02  5.0303049E-03 -1.1633035E-03
   10  2.2411384E+00 -2.5473682E-05 -3.5938884E-03  9.1140012E-04 -1.9303230E-04
   11  8.0823911E-01  4.6522958E-06 -1.5680138E-04 -4.1231662E-03  1.1243067E-03
   12  3.0806178E-01 -1.0606887E-06  7.6095156E-06 -2.4886847E-03  8.3367362E-04
   13  6.2278256E-02  1.3406382E-07 -7.5723350E-07 -9.9702048E-05 -1.0536724E-03
   14  2.2269031E-02 -3.4453809E-08  2.0792189E-07  1.4534045E-05 -7.2979459E-04


                           3d-

    1  4.3326765E+02 -4.4277573E-04
    2  1.2736529E+02 -2.0348725E-03
    3  4.7904690E+01 -5.5307703E-03
    4  2.0124370E+01 -9.8728980E-03
    5  8.8564817E+00 -1.0955843E-02
    6  3.9002770E+00 -7.2612576E-03
    7  1.6408028E+00 -2.0746522E-03
    8  4.9525124E-01 -7.9615705E-05


                           3d+

    1  4.3326765E+02 -4.1794958E-04
    2  1.2736529E+02 -1.9711075E-03
    3  4.7904690E+01 -5.4309884E-03
    4  2.0124370E+01 -9.7690390E-03
    5  8.8564817E+00 -1.0920026E-02
    6  3.9002770E+00 -7.3141349E-03
    7  1.6408028E+00 -2.1251579E-03
    8  4.9525124E-01 -8.4398356E-05





Spin-free Dirac-Hartree-Fock basis sets 
======================================= 




** Rb 85 **



  Large component functions
  -------------------------


                           1s             2s             3s             4s             5s 

    1  2.1963526E+07  3.0142099E-05 -9.8323489E-06  3.9948102E-06 -1.3508801E-06  2.8561745E-07
    2  2.9518527E+06  1.2272791E-04 -4.0169215E-05  1.6340394E-05 -5.5234708E-06  1.1668661E-06
    3  5.8741824E+05  4.4384134E-04 -1.4578835E-04  5.9251750E-05 -2.0046376E-05  4.2411243E-06
    4  1.4602163E+05  1.5304920E-03 -5.0530937E-04  2.0595432E-04 -6.9596923E-05  1.4690314E-05
    5  4.2459382E+04  5.0731889E-03 -1.6823921E-03  6.8392120E-04 -2.3157469E-04  4.9047451E-05
    6  1.3881722E+04  1.5905902E-02 -5.3308238E-03  2.1795946E-03 -7.3625853E-04  1.5521785E-04
    7  4.9724483E+03  4.6116312E-02 -1.5744762E-02  6.4166085E-03 -2.1757764E-03  4.6152767E-04
    8  1.9156135E+03  1.1868325E-01 -4.2586739E-02  1.7601566E-02 -5.9487059E-03  1.2520969E-03
    9  7.8249450E+02  2.5128814E-01 -9.9962622E-02  4.1498501E-02 -1.4139044E-02  3.0077856E-03
   10  3.3493424E+02  3.7231848E-01 -1.8713609E-01  8.1462117E-02 -2.7676799E-02  5.8048133E-03
   11  1.4758992E+02  2.8286105E-01 -1.9493833E-01  8.7452237E-02 -3.0503906E-02  6.5928095E-03
   12  6.0341278E+01  5.6285658E-02  1.5526403E-01 -8.1521241E-02  3.0120727E-02 -6.8086203E-03
   13  2.9164451E+01 -6.3502269E-03  6.0547793E-01 -4.7420125E-01  1.7522620E-01 -3.6468319E-02
   14  1.3893416E+01  2.9179250E-03  3.7879440E-01 -3.4163300E-01  1.4066084E-01 -3.2074998E-02
   15  5.3453414E+00 -1.1696358E-03  3.5630200E-02  6.4522228E-01 -3.4311285E-01  8.0078719E-02
   16  2.3927260E+00  4.6724279E-04 -3.0983090E-03  6.4668438E-01 -5.3423442E-01  1.1946346E-01
   17  6.1062235E-01 -1.4933886E-04  8.8630873E-04  3.8452746E-02  6.9592260E-01 -1.8300779E-01
   18  2.5156572E-01  7.0593181E-05 -4.4398767E-04 -8.6414628E-03  5.7209935E-01 -3.2392267E-01
   19  3.1822407E-02 -1.9563983E-05  1.1554700E-04  2.0773846E-03  1.5257799E-02  7.5306327E-01
   20  1.4512236E-02  1.0921262E-05 -6.4390575E-05 -1.1458892E-03 -6.2067079E-03  3.7173711E-01


                           2p             3p             4p             5p 

    1  1.7384988E+04  4.6402130E-04 -1.9201490E-04  5.7107394E-05 -8.7824422E-06
    2  3.1303841E+03  3.5024900E-03 -1.4621667E-03  4.3891803E-04 -6.7603046E-05
    3  8.7704862E+02  2.0078227E-02 -8.4239547E-03  2.5036004E-03 -3.8488987E-04
    4  3.0382294E+02  8.3328514E-02 -3.6106247E-02  1.0912977E-02 -1.6818892E-03
    5  1.1928269E+02  2.4014568E-01 -1.0835207E-01  3.2446758E-02 -4.9890539E-03
    6  5.0439884E+01  4.2047638E-01 -2.0603386E-01  6.3988123E-02 -9.8877642E-03
    7  2.2405674E+01  3.4184758E-01 -1.2604590E-01  3.3294778E-02 -5.0310820E-03
    8  9.5881259E+00  7.8255386E-02  3.1963411E-01 -1.1649959E-01  1.8039011E-02
    9  4.2188963E+00 -1.3199035E-03  5.8159433E-01 -2.6260135E-01  4.1857053E-02
   10  1.8615779E+00  1.9815587E-03  2.4137711E-01 -1.9217551E-02  9.9630631E-04
   11  6.5124940E-01 -5.8638401E-04  1.1685609E-02  5.8775786E-01 -1.0233291E-01
   12  2.3130827E-01  1.9569294E-04 -3.8895710E-04  5.1813502E-01 -1.2326941E-01
   13  3.3587806E-02 -4.8854340E-05  7.2461308E-05  3.5745783E-02  5.0342170E-01
   14  1.2931333E-02  2.4519014E-05 -3.8381757E-05 -1.3088953E-02  5.8289822E-01


                           3d 

    1  3.9234631E+02  2.3495772E-03
    2  1.1546872E+02  1.9369867E-02
    3  4.3376715E+01  8.4776563E-02
    4  1.8180756E+01  2.3045874E-01
    5  7.9657036E+00  3.8106760E-01
    6  3.4816078E+00  3.8024975E-01
    7  1.4491999E+00  1.7104380E-01
    8  4.3130827E-01  1.3258469E-02



  Pseudo-large component functions
  --------------------------------


                           1s             2s             3s             4s             5s 

    1  2.1963526E+07  3.0933851E-06 -1.0066890E-06  4.0863024E-07 -1.3822642E-07  2.9244609E-08
    2  2.9518527E+06  3.1666100E-05 -1.0312980E-05  4.1952398E-06 -1.4173902E-06  2.9921672E-07
    3  5.8741824E+05  1.9671082E-04 -6.4038547E-05  2.5979557E-05 -8.7913222E-06  1.8612004E-06
    4  1.4602163E+05  9.5765600E-04 -3.1241453E-04  1.2720556E-04 -4.2960778E-05  9.0623880E-06
    5  4.2459382E+04  3.9033840E-03 -1.2756335E-03  5.1736001E-04 -1.7516964E-04  3.7116962E-05
    6  1.3881722E+04  1.3819090E-02 -4.5592318E-03  1.8609103E-03 -6.2828282E-04  1.3240429E-04
    7  4.9724483E+03  4.2984788E-02 -1.4442002E-02  5.8723364E-03 -1.9908339E-03  4.2238361E-04
    8  1.9156135E+03  1.1516845E-01 -4.0692419E-02  1.6788078E-02 -5.6714899E-03  1.1935159E-03
    9  7.8249450E+02  2.4940817E-01 -9.7796436E-02  4.0524844E-02 -1.3804233E-02  2.9367646E-03
   10  3.3493424E+02  3.7410542E-01 -1.8556863E-01  8.0660893E-02 -2.7397230E-02  5.7457289E-03
   11  1.4758992E+02  2.8597938E-01 -1.9510897E-01  8.7480488E-02 -3.0509888E-02  6.5936680E-03
   12  6.0341278E+01  5.7048045E-02  1.5411371E-01 -8.0631210E-02  2.9788762E-02 -6.7371439E-03
   13  2.9164451E+01 -6.4435139E-03  6.0587869E-01 -4.7367711E-01  1.7498957E-01 -3.6417708E-02
   14  1.3893416E+01  2.9569242E-03  3.7935343E-01 -3.4184637E-01  1.4074687E-01 -3.2092566E-02
   15  5.3453414E+00 -1.1840380E-03  3.5735254E-02  6.4507512E-01 -3.4293829E-01  8.0036335E-02
   16  2.3927260E+00  4.7269149E-04 -3.1328722E-03  6.4688822E-01 -5.3426832E-01  1.1947120E-01
   17  6.1062235E-01 -1.5053096E-04  9.0523378E-04  3.8441454E-02  6.9591183E-01 -1.8299837E-01
   18  2.5156572E-01  7.0875039E-05 -4.5719758E-04 -8.6278700E-03  5.7211942E-01 -3.2392509E-01
   19  3.1822407E-02 -1.9319383E-05  1.2431101E-04  2.0666909E-03  1.5256619E-02  7.5306237E-01
   20  1.4512236E-02  1.0625123E-05 -7.1795245E-05 -1.1365647E-03 -6.2055051E-03  3.7173844E-01


                           2p             3p             4p             5p 

    1  1.7384988E+04  2.3655626E-04 -9.7776436E-05  2.8996060E-05 -4.4570187E-06
    2  3.1303841E+03  2.9130192E-03 -1.2154581E-03  3.6516038E-04 -5.6251444E-05
    3  8.7704862E+02  1.8858776E-02 -7.9015027E-03  2.3470978E-03 -3.6080378E-04
    4  3.0382294E+02  8.1411686E-02 -3.5237258E-02  1.0650142E-02 -1.6414049E-03
    5  1.1928269E+02  2.3805564E-01 -1.0730932E-01  3.2128381E-02 -4.9400007E-03
    6  5.0439884E+01  4.1918772E-01 -2.0529288E-01  6.3756044E-02 -9.8519272E-03
    7  2.2405674E+01  3.4130868E-01 -1.2592462E-01  3.3274152E-02 -5.0281111E-03
    8  9.5881259E+00  7.7579158E-02  3.1956341E-01 -1.1643865E-01  1.8029213E-02
    9  4.2188963E+00 -1.8786929E-03  5.8168328E-01 -2.6258896E-01  4.1854616E-02
   10  1.8615779E+00  1.3963856E-03  2.4147411E-01 -1.9267750E-02  1.0047132E-03
   11  6.5124940E-01 -1.0537848E-03  1.1727470E-02  5.8771588E-01 -1.0232497E-01
   12  2.3130827E-01 -2.8109073E-04 -3.5015714E-04  5.1810989E-01 -1.2326478E-01
   13  3.3587806E-02 -5.4635868E-04  1.1391379E-04  3.5711158E-02  5.0342490E-01
   14  1.2931333E-02 -4.0749075E-05 -3.3224738E-05 -1.3093181E-02  5.8289895E-01


                           3d 

    1  3.9234631E+02  2.2476919E-03
    2  1.1546872E+02  1.9128597E-02
    3  4.3376715E+01  8.4370712E-02
    4  1.8180756E+01  2.3006264E-01
    5  7.9657036E+00  3.8080285E-01
    6  3.4816078E+00  3.8014764E-01
    7  1.4491999E+00  1.7098870E-01
    8  4.3130827E-01  1.3218373E-02



  Foldy-Wouthuysen functions
  --------------------------


                           1s             2s             3s             4s             5s 

    1  2.1963526E+07  7.9230206E-05 -2.6050487E-05  1.0552363E-05 -3.5690995E-06  7.5792851E-07
    2  2.9518527E+06  2.6882462E-04 -8.8780905E-05  3.6271233E-05 -1.2268572E-05  2.5772511E-06
    3  5.8741824E+05  7.6899068E-04 -2.5274510E-04  1.0236368E-04 -3.4620997E-05  7.3688545E-06
    4  1.4602163E+05  2.1326608E-03 -7.0365342E-04  2.8813729E-04 -9.7410673E-05  2.0442481E-05
    5  4.2459382E+04  6.0488635E-03 -1.9908164E-03  8.0740036E-04 -2.7321827E-04  5.8146216E-05
    6  1.3881722E+04  1.7468795E-02 -5.8242525E-03  2.3865068E-03 -8.0665751E-04  1.6955817E-04
    7  4.9724483E+03  4.8652252E-02 -1.6533674E-02  6.7311875E-03 -2.2808964E-03  4.8469846E-04
    8  1.9156135E+03  1.2245734E-01 -4.3890131E-02  1.8144555E-02 -6.1312599E-03  1.2891388E-03
    9  7.8249450E+02  2.5533483E-01 -1.0163432E-01  4.2209926E-02 -1.4385441E-02  3.0619334E-03
   10  3.3493424E+02  3.7425942E-01 -1.8875014E-01  8.2228118E-02 -2.7935862E-02  5.8575901E-03
   11  1.4758992E+02  2.8203047E-01 -1.9506951E-01  8.7555105E-02 -3.0552149E-02  6.6055901E-03
   12  6.0341278E+01  5.5624739E-02  1.5633094E-01 -8.1963350E-02  3.0286009E-02 -6.8465030E-03
   13  2.9164451E+01 -6.4863369E-03  6.0617381E-01 -4.7496036E-01  1.7550998E-01 -3.6526861E-02
   14  1.3893416E+01  2.9248816E-03  3.7853001E-01 -3.4141662E-01  1.4060223E-01 -3.2064393E-02
   15  5.3453414E+00 -1.1801300E-03  3.5570838E-02  6.4547028E-01 -3.4325629E-01  8.0112849E-02
   16  2.3927260E+00  4.6901645E-04 -3.1186290E-03  6.4665947E-01 -5.3423356E-01  1.1946273E-01
   17  6.1062235E-01 -1.5121092E-04  8.9248091E-04  3.8431884E-02  6.9596266E-01 -1.8301795E-01
   18  2.5156572E-01  7.0716246E-05 -4.4678361E-04 -8.6401604E-03  5.7209077E-01 -3.2392208E-01
   19  3.1822407E-02 -1.9634343E-05  1.1576137E-04  2.0779183E-03  1.5257512E-02  7.5306516E-01
   20  1.4512236E-02  1.0943898E-05 -6.4579519E-05 -1.1460755E-03 -6.2071897E-03  3.7173654E-01


                           2p             3p             4p             5p 

    1  1.7384988E+04  4.9446487E-04 -2.0385828E-04  6.0373139E-05 -9.2712550E-06
    2  3.1303841E+03  3.6067034E-03 -1.5043831E-03  4.5220288E-04 -6.9688080E-05
    3  8.7704862E+02  2.0404189E-02 -8.5549488E-03  2.5410876E-03 -3.9056814E-04
    4  3.0382294E+02  8.4041137E-02 -3.6413750E-02  1.1007733E-02 -1.6966251E-03
    5  1.1928269E+02  2.4111171E-01 -1.0879899E-01  3.2578747E-02 -5.0091743E-03
    6  5.0439884E+01  4.2108905E-01 -2.0640109E-01  6.4109633E-02 -9.9067670E-03
    7  2.2405674E+01  3.4182403E-01 -1.2600782E-01  3.3275477E-02 -5.0279132E-03
    8  9.5881259E+00  7.8173737E-02  3.1984859E-01 -1.1656963E-01  1.8049817E-02
    9  4.2188963E+00 -1.3290761E-03  5.8165054E-01 -2.6264359E-01  4.1863943E-02
   10  1.8615779E+00  1.9818453E-03  2.4135383E-01 -1.9195708E-02  9.9278755E-04
   11  6.5124940E-01 -5.8677795E-04  1.1682719E-02  5.8777424E-01 -1.0233594E-01
   12  2.3130827E-01  1.9582215E-04 -3.8957284E-04  5.1813402E-01 -1.2326969E-01
   13  3.3587806E-02 -4.8894840E-05  7.2602276E-05  3.5745340E-02  5.0342272E-01
   14  1.2931333E-02  2.4535125E-05 -3.8438838E-05 -1.3088947E-02  5.8289814E-01


                           3d 

    1  3.9234631E+02  2.3733000E-03
    2  1.1546872E+02  1.9453259E-02
    3  4.3376715E+01  8.4938568E-02
    4  1.8180756E+01  2.3064720E-01
    5  7.9657036E+00  3.8117918E-01
    6  3.4816078E+00  3.8027802E-01
    7  1.4491999E+00  1.7103897E-01
    8  4.3130827E-01  1.3257523E-02




** Sr 88 **



  Large component functions
  -------------------------


                           1s             2s             3s             4s             5s 

    1  2.3304046E+07  3.1415831E-05 -1.0291827E-05  4.2188132E-06 -1.5000039E-06  3.8772614E-07
    2  3.1782044E+06  1.2594739E-04 -4.1397930E-05  1.6990247E-05 -6.0392548E-06  1.5605244E-06
    3  6.3676920E+05  4.4832329E-04 -1.4792329E-04  6.0659386E-05 -2.1576337E-05  5.5786431E-06
    4  1.5872328E+05  1.5241120E-03 -5.0544424E-04  2.0784765E-04 -7.3868421E-05  1.9081082E-05
    5  4.6189239E+04  4.9984905E-03 -1.6658382E-03  6.8333337E-04 -2.4322191E-04  6.2915865E-05
    6  1.5098201E+04  1.5567000E-02 -5.2405682E-03  2.1618261E-03 -7.6816013E-04  1.9832992E-04
    7  5.4046088E+03  4.4987354E-02 -1.5431078E-02  6.3458455E-03 -2.2615320E-03  5.8540709E-04
    8  2.0802477E+03  1.1584427E-01 -4.1678490E-02  1.7376950E-02 -6.1792573E-03  1.5945497E-03
    9  8.4893158E+02  2.4655932E-01 -9.8184638E-02  4.1118272E-02 -1.4719460E-02  3.8158135E-03
   10  3.6302331E+02  3.7034773E-01 -1.8495871E-01  8.1143999E-02 -2.9028350E-02  7.4846669E-03
   11  1.5990982E+02  2.8893704E-01 -1.9886500E-01  8.9960367E-02 -3.2904358E-02  8.5966791E-03
   12  6.6162537E+01  6.0766164E-02  1.3454438E-01 -7.0637830E-02  2.7332757E-02 -7.3291319E-03
   13  3.1927432E+01 -6.0021597E-03  6.0011580E-01 -4.6784653E-01  1.8263402E-01 -4.7307906E-02
   14  1.5177362E+01  2.8868327E-03  3.9879049E-01 -3.6869721E-01  1.5883470E-01 -4.2961918E-02
   15  5.8390621E+00 -1.1981416E-03  4.0014151E-02  6.2734506E-01 -3.5161695E-01  9.8532145E-02
   16  2.6491446E+00  5.0813362E-04 -3.9724257E-03  6.6463040E-01 -5.8560324E-01  1.6871068E-01
   17  7.2394544E-01 -1.8358198E-04  1.2346321E-03  4.5465229E-02  6.7368606E-01 -2.4202370E-01
   18  3.1836459E-01  9.3510598E-05 -6.5167567E-04 -1.0557479E-02  6.1373760E-01 -3.9746727E-01
   19  5.5258273E-02 -2.6027079E-05  1.7170527E-04  2.4459865E-03  1.8850637E-02  6.8894291E-01
   20  2.2976276E-02  1.2444466E-05 -8.1260052E-05 -1.1582738E-03 -6.0027144E-03  4.8849858E-01


                           2p             3p             4p             5p 

    1  2.0290585E+04  4.2961144E-04 -1.7996944E-04  5.7600084E-05 -1.2870168E-05
    2  3.5964428E+03  3.1701860E-03 -1.3377952E-03  4.3166236E-04 -9.6432756E-05
    3  9.9724739E+02  1.8243230E-02 -7.7474370E-03  2.4783596E-03 -5.5391780E-04
    4  3.4330233E+02  7.6760076E-02 -3.3553609E-02  1.0898914E-02 -2.4357760E-03
    5  1.3427862E+02  2.2674736E-01 -1.0336086E-01  3.3333773E-02 -7.4576457E-03
    6  5.6676612E+01  4.1211946E-01 -2.0297598E-01  6.7679816E-02 -1.5147343E-02
    7  2.5241144E+01  3.5617125E-01 -1.4576844E-01  4.3293481E-02 -9.6601954E-03
    8  1.1054288E+01  9.2542133E-02  2.7204453E-01 -1.0819560E-01  2.4785867E-02
    9  4.9610374E+00  1.8982819E-04  5.7762762E-01 -2.7783158E-01  6.3988382E-02
   10  2.2411384E+00  1.9962284E-03  2.8741217E-01 -6.7386158E-02  1.4173540E-02
   11  8.0823911E-01 -6.0358972E-04  2.0061465E-02  5.6992062E-01 -1.5585560E-01
   12  3.0806178E-01  2.2321693E-04 -1.5240387E-03  5.4085678E-01 -1.7958881E-01
   13  6.2278256E-02 -6.3234038E-05  3.3243432E-04  4.6269193E-02  5.2647095E-01
   14  2.2269031E-02  2.7486120E-05 -1.5334574E-04 -1.1206224E-02  5.9053193E-01


                           3d 

    1  4.3326765E+02  2.2351097E-03
    2  1.2736529E+02  1.8581779E-02
    3  4.7904690E+01  8.2319167E-02
    4  2.0124370E+01  2.2698496E-01
    5  8.8564817E+00  3.8091428E-01
    6  3.9002770E+00  3.8265653E-01
    7  1.6408028E+00  1.7026675E-01
    8  4.9525124E-01  1.2181642E-02



  Pseudo-large component functions
  --------------------------------


                           1s             2s             3s             4s             5s 

    1  2.3304046E+07  3.0508491E-06 -9.9716300E-07  4.0837341E-07 -1.4523188E-07  3.7550484E-08
    2  3.1782044E+06  3.1006578E-05 -1.0139998E-05  4.1615805E-06 -1.4786391E-06  3.8195510E-07
    3  6.3676920E+05  1.9137055E-04 -6.2575259E-05  2.5612997E-05 -9.1114125E-06  2.3564373E-06
    4  1.5872328E+05  9.2907938E-04 -3.0432114E-04  1.2501021E-04 -4.4404754E-05  1.1466915E-05
    5  4.6189239E+04  3.7826533E-03 -1.2416584E-03  5.0809582E-04 -1.8082674E-04  4.6783290E-05
    6  1.5098201E+04  1.3393507E-02 -4.4352067E-03  1.8262727E-03 -6.4859887E-04  1.6742777E-04
    7  5.4046088E+03  4.1710116E-02 -1.4067762E-02  5.7713076E-03 -2.0562599E-03  5.3230364E-04
    8  2.0802477E+03  1.1212509E-01 -3.9687635E-02  1.6514903E-02 -5.8702704E-03  1.5146424E-03
    9  8.4893158E+02  2.4448388E-01 -9.5886124E-02  4.0077108E-02 -1.4342995E-02  3.7182389E-03
   10  3.6302331E+02  3.7212212E-01 -1.8326347E-01  8.0273799E-02 -2.8708785E-02  7.4018545E-03
   11  1.5990982E+02  2.9226886E-01 -1.9898564E-01  8.9955962E-02 -3.2898299E-02  8.5947682E-03
   12  6.6162537E+01  6.1635917E-02  1.3332210E-01 -6.9707560E-02  2.6968444E-02 -7.2334560E-03
   13  3.1927432E+01 -6.0960887E-03  6.0046521E-01 -4.6723401E-01  1.8234513E-01 -4.7231343E-02
   14  1.5177362E+01  2.9278434E-03  3.9942367E-01 -3.6892144E-01  1.5892727E-01 -4.2985521E-02
   15  5.8390621E+00 -1.2139367E-03  4.0129089E-02  6.2716857E-01 -3.5140671E-01  9.8469352E-02
   16  2.6491446E+00  5.1454973E-04 -4.0083994E-03  6.6485971E-01 -5.8564275E-01  1.6872079E-01
   17  7.2394544E-01 -1.8528337E-04  1.2553060E-03  4.5451917E-02  6.7366881E-01 -2.4200624E-01
   18  3.1836459E-01  9.4057650E-05 -6.6650851E-04 -1.0540135E-02  6.1376454E-01 -3.9747165E-01
   19  5.5258273E-02 -2.5840511E-05  1.8065519E-04  2.4333832E-03  1.8849835E-02  6.8894200E-01
   20  2.2976276E-02  1.2173566E-05 -8.8117871E-05 -1.1481850E-03 -6.0017629E-03  4.8850015E-01


                           2p             3p             4p             5p 

    1  2.0290585E+04  2.0506106E-04 -8.5848177E-05  2.7401155E-05 -6.1231077E-06
    2  3.5964428E+03  2.5774467E-03 -1.0869826E-03  3.5101923E-04 -7.8413736E-05
    3  9.9724739E+02  1.7003788E-02 -7.2110226E-03  2.3055224E-03 -5.1528619E-04
    4  3.4330233E+02  7.4771190E-02 -3.2645311E-02  1.0603485E-02 -2.3697032E-03
    5  1.3427862E+02  2.2451459E-01 -1.0224046E-01  3.2965655E-02 -7.3752178E-03
    6  5.6676612E+01  4.1067560E-01 -2.0214219E-01  6.7398765E-02 -1.5084323E-02
    7  2.5241144E+01  3.5559343E-01 -1.4560232E-01  4.3255675E-02 -9.6520553E-03
    8  1.1054288E+01  9.1856403E-02  2.7195853E-01 -1.0812184E-01  2.4768304E-02
    9  4.9610374E+00 -4.0337429E-04  5.7770562E-01 -2.7780605E-01  6.3981495E-02
   10  2.2411384E+00  1.3754190E-03  2.8752593E-01 -6.7443435E-02  1.4187564E-02
   11  8.0823911E-01 -1.1034562E-03  2.0107617E-02  5.6986803E-01 -1.5584003E-01
   12  3.0806178E-01 -2.5640819E-04 -1.4856712E-03  5.4083116E-01 -1.7958186E-01
   13  6.2278256E-02 -5.2329835E-04  3.7031166E-04  4.6233566E-02  5.2647515E-01
   14  2.2269031E-02 -1.7309466E-04 -1.3716600E-04 -1.1221321E-02  5.9053487E-01


                           3d 

    1  4.3326765E+02  2.1290110E-03
    2  1.2736529E+02  1.8326410E-02
    3  4.7904690E+01  8.1882697E-02
    4  2.0124370E+01  2.2654991E-01
    5  8.8564817E+00  3.8062010E-01
    6  3.9002770E+00  3.8254360E-01
    7  1.6408028E+00  1.7020624E-01
    8  4.9525124E-01  1.2136037E-02



  Foldy-Wouthuysen functions
  --------------------------


                           1s             2s             3s             4s             5s 

    1  2.3304046E+07  8.2794680E-05 -2.7350107E-05  1.1181906E-05 -3.9743545E-06  1.0293718E-06
    2  3.1782044E+06  2.7845517E-04 -9.2367850E-05  3.8057250E-05 -1.3546087E-05  3.4906263E-06
    3  6.3676920E+05  7.8881488E-04 -2.6061946E-04  1.0654193E-04 -3.7856205E-05  9.8164361E-06
    4  1.5872328E+05  2.1593505E-03 -7.1600703E-04  2.9570442E-04 -1.0521585E-04  2.7099897E-05
    5  4.6189239E+04  6.0334370E-03 -1.9967000E-03  8.1733327E-04 -2.9056860E-04  7.5347152E-05
    6  1.5098201E+04  1.7214787E-02 -5.7656170E-03  2.3833861E-03 -8.4774762E-04  2.1859163E-04
    7  5.4046088E+03  4.7633116E-02 -1.6262009E-02  6.6810808E-03 -2.3788030E-03  6.1626128E-04
    8  2.0802477E+03  1.1977906E-01 -4.3039652E-02  1.7948984E-02 -6.3825642E-03  1.6461432E-03
    9  8.4893158E+02  2.5083849E-01 -9.9948877E-02  4.1875202E-02 -1.4993521E-02  3.8879261E-03
   10  3.6302331E+02  3.7250499E-01 -1.8667366E-01  8.1959677E-02 -2.9320164E-02  7.5591636E-03
   11  1.5990982E+02  2.8812195E-01 -1.9907997E-01  9.0108251E-02 -3.2970813E-02  8.6158215E-03
   12  6.6162537E+01  6.0026638E-02  1.3565164E-01 -7.1092795E-02  2.7509326E-02 -7.3769747E-03
   13  3.1927432E+01 -6.1470718E-03  6.0090918E-01 -4.6868045E-01  1.8296541E-01 -4.7393920E-02
   14  1.5177362E+01  2.8900418E-03  3.9851797E-01 -3.6849145E-01  1.5877738E-01 -4.2948189E-02
   15  5.8390621E+00 -1.2087614E-03  3.9944370E-02  6.2762606E-01 -3.5178385E-01  9.8579986E-02
   16  2.6491446E+00  5.0968429E-04 -3.9956071E-03  6.6460580E-01 -5.8560776E-01  1.6871244E-01
   17  7.2394544E-01 -1.8567025E-04  1.2424623E-03  4.5440087E-02  6.7373718E-01 -2.4204109E-01
   18  3.1836459E-01  9.3578280E-05 -6.5532439E-04 -1.0556275E-02  6.1372720E-01 -3.9746577E-01
   19  5.5258273E-02 -2.6093207E-05  1.7194180E-04  2.4469901E-03  1.8849450E-02  6.8894602E-01
   20  2.2976276E-02  1.2452994E-05 -8.1460998E-05 -1.1586484E-03 -6.0030045E-03  4.8849784E-01


                           2p             3p             4p             5p 

    1  2.0290585E+04  4.5990005E-04 -1.9203287E-04  6.1222526E-05 -1.3673076E-05
    2  3.5964428E+03  3.2736165E-03 -1.3798608E-03  4.4580053E-04 -9.9610325E-05
    3  9.9724739E+02  1.8567526E-02 -7.8798913E-03  2.5193214E-03 -5.6302416E-04
    4  3.4330233E+02  7.7484467E-02 -3.3867307E-02  1.1002560E-02 -2.4590092E-03
    5  1.3427862E+02  2.2776993E-01 -1.0383900E-01  3.3486197E-02 -7.4916681E-03
    6  5.6676612E+01  4.1281666E-01 -2.0338454E-01  6.7824066E-02 -1.5179769E-02
    7  2.5241144E+01  3.5617776E-01 -1.4576288E-01  4.3284457E-02 -9.6582584E-03
    8  1.1054288E+01  9.2444780E-02  2.7227817E-01 -1.0827768E-01  2.4804705E-02
    9  4.9610374E+00  1.7806235E-04  5.7770639E-01 -2.7788853E-01  6.4001645E-02
   10  2.2411384E+00  1.9958654E-03  2.8738752E-01 -6.7363153E-02  1.4168436E-02
   11  8.0823911E-01 -6.0386764E-04  2.0056253E-02  5.6994323E-01 -1.5586229E-01
   12  3.0806178E-01  2.2331520E-04 -1.5247669E-03  5.4085576E-01 -1.7958910E-01
   13  6.2278256E-02 -6.3281261E-05  3.3264616E-04  4.6268264E-02  5.2647299E-01
   14  2.2269031E-02  2.7498804E-05 -1.5341611E-04 -1.1206180E-02  5.9053176E-01


                           3d 

    1  4.3326765E+02  2.2595696E-03
    2  1.2736529E+02  1.8669016E-02
    3  4.7904690E+01  8.2492369E-02
    4  2.0124370E+01  2.2719139E-01
    5  8.8564817E+00  3.8104022E-01
    6  3.9002770E+00  3.8268871E-01
    7  1.6408028E+00  1.7026098E-01
    8  4.9525124E-01  1.2180530E-02




Exponents of correlating functions
----------------------------------

        d               d               f

Rb   4.3130827E-01   1.0000000E+42   8.0396629E+00
Sr   4.9525124E-01   1.1577369E-01   8.8170213E+00




Exponents of 4s4p polarizing functions
--------------------------------------

           s               p               d

Rb   1.1950593E-01   1.0988270E-01   2.5224084E-01
Sr   1.5765459E-01   1.5255263E-01   3.3548110E-01
