5p-Block Quadruple-Zeta Basis Set Archive ========================================= Date: 22 Nov 2011 When publishing work that uses these basis sets, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2006) 115:441. Basis sets available from the Dirac web site, http://dirac.chem.sdu.dk. For the core correlating functions for n=1 to n=3, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2012) 131, 1217. DOI: 10.1007/s00214-012-1217-8. Basis sets are available from the Dirac web site, http://dirac.chem.sdu.dk. This archive contains the exponents and the SCF spinor or orbital coefficients, given with respect to normalized (spherical or 2-spinor) Gaussian functions, for the double-zeta basis sets described in the above article. 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 configuration average of the s^2 p^n configuration, to yield a 33s 27p 17d set. * Replacement of the outermost 2 SCF d exponents with the valence correlating 3d exponent set and reoptimization of the other 15 d exponents, with the correlating d exponents fixed The resulting primitive basis set is a 33s 27p 18d set. In all the following descriptions, this is the set referred to as the SCF exponent set. The correlating exponents were generated as follows * A 3d2f1g exponent set for 5s5p correlation was optimized in MR-SDCI calculations on the ground configuration, with 3 s and 3 p exponents from the SCF set included in the correlating space and held fixed. * A 3f2g1h exponent set for 4d correlation was optimized in MR-SDCI calculations on the ground configuration, with double excitations from the 4d shell into the f shell coupled to J=0. * The inner core exponents were optimized in MR-SDCI calculations on the ground configuration, with double excitations from the specified shell into the correlating spinors, coupled to J=0. Only the shell of the highest angular momentum was correlated except for n=2; the correlating sets were 3p2d1f for the 1s, 3d2f1g for the 2s2p, and 3f2g1h for the 3d. Exponents from the occupied symmetries were used and frozen and the rest were optimized. The diffuse exponent sets were generated as follows. * An s exponent and a p exponent were optimized in SCF calculations on the negative ion for In - I, with the remaining s and p exponents fixed * A dfg exponent set was optimized in MR-SDCI calculations on the negative ion for In - I, with 3 s and 3 p exponents from the SCF set, the correlating 3d2f1g set, and the diffuse sp set included in the correlating space, i.e. a 4s4p4d3f2g correlating space. * The s and p exponents were extrapolated in a geometric sequence from Te and I to obtain exponents for Xe. The d, f, and g exponents for Xe were determined by multiplying the smallest correlating exponent for Xe by the ratio of the diffuse exponent to the smallest correlating exponent for I. 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 diffuse s, p, d and f functions. 4. Exponents of valence correlating functions. 5. Exponents of core correlating functions. Basis set construction. ---------------------- Several different types of basis sets may be constructed by adding primitive functions. These basis sets are described below. NOTE: Functions are counted from the function with the smallest exponent to the largest. 1. Valence flexibility (equivalent to cc-pvqz). To the SCF occupied set, add the following: 1st, 2nd, and 4th s primitives from the SCF set 1st, 3rd, and 4th p primitives from the SCF set 1st, 2nd, and 3rd d primitives from the SCF set (correlating 3d) valence correlating 2f1g functions. This it the recommended valence contraction, because it provides the best balance between valence flexibility and valence correlation.. There is no more than about 100 uEh spread in the energies for all possible choices of 3 of the outermost 4 p functions. The choice of the 1st, 3rd and 4th p functions is not the lowest in energy but is selected because it allows for optimal p correlation when the core set is added. This basis set has a less-than-optimal correlation energy (except for Sn). The losses relative to the best correlation energy in the s set are up to 59 uEh for Xe, and in the p set are up to 765 uEh for Xe. The optimum p set for all except Sn is 3rd, 4th, 5th, which does not provide the best valence flexibility and correlates the second innermost antinode of the 5p function. The losses in the s set are insignificant, but the losses in the p set might be significant in an extrapolation. However, extrapolation is used to obtain accurate results, and without core correlation, the extrapolation might not be useful. The addition of the core correlating set (set 2 below) adds the functions that provide the optimum p correlation. An alternative for the p set is 1st, 2nd, 4th, which has smaller losses but does not provide the optimum p correlation when the core set is added. A contraction designed for optimum valence correlation is given in basis set 3. (HF + 3s3p3d2f1g valence) 2. Core-valence flexibility. To basis set 1, add the following: 5th, 6th, and 8th s primitives from the SCF set 6th, 7th, and 8th p primitives from the SCF set 5th, 6th, and 7th d primitives from the SCF set core correlating 3f2g1h functions. The s set has a loss of only 10 uEh for Xe relative to the best set; the d set has a loss ranging from 40 uEh for Te to 493 uEh for Xe. All choices are a balance, but the addition of the most diffuse set is better for radial polarization of the d shell. (HF + 3s3p3d2f1g valence + 3s3p3d3f2g1h core) 3. Valence correlation (equivalent to cc-pvqz). To the SCF occupied set, add the following: 3rd, 4th, and 5th s primitives from the SCF set 3rd, 4th, and 5th p primitives from the SCF set 1st, 2nd, and 3rd d primitives from the SCF set (correlating 3d) valence correlating 2f1g functions. Note: The outermost s and p primitives are not uncontracted in this basis set, which could result in less-than-optimal valence flexibility and might degrade the quality of molecular calculations. Note also that this set is not quite optimal for Sn and Sb, but the losses are less than 10 uEh. (HF + 3s3p3d2f1g valence) 4. Outer-core correlation. To basis set 3, add the following: 6th, 7th, and 8th s primitives from the SCF set 6th, 7th, and 8th p primitives from the SCF set 6th, 7th, and 8th d primitives from the SCF set core correlating 3f2g1h functions. The optimal s set is s578 for the lower elements and s678 for the higher elements. However, since the 5th s is already in the valence set, it is not necessary to add it twice. (HF + 3s3p3d2f1g valence + 3s3p3d3f2g1h core) 5. Inner core correlation. Add the correlating functions to the basis sets for the desired shells, and uncontract three functions from each of the shells of the same principal quantum number. These should be chosen to span the radial maxima of the shells. Note that the smallest g exponent of the 3d correlating set is the same as the largest g exponent of the 4f correlating set. 6. Diffuse basis: add the diffuse s, p, d, f, and g functions to any of the above basis sets. Dirac-Hartree-Fock basis sets ============================= ** In 115 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.1558825E+07 1.7906983E-05 -6.1247965E-06 2.6926039E-06 -1.1562513E-06 3.2185970E-07 2 2.1604557E+07 4.4657880E-05 -1.5301735E-05 6.7287568E-06 -2.8896001E-06 8.0435037E-07 3 7.3347745E+06 9.5865896E-05 -3.2910442E-05 1.4475708E-05 -6.2167673E-06 1.7305880E-06 4 2.7547371E+06 1.9251819E-04 -6.6280921E-05 2.9166185E-05 -1.2526868E-05 3.4869962E-06 5 1.1175232E+06 3.8777335E-04 -1.3394160E-04 5.8965153E-05 -2.5327645E-05 7.0509642E-06 6 4.7503120E+05 7.8227903E-04 -2.7131833E-04 1.1951607E-04 -5.1343001E-05 1.4291974E-05 7 2.1003140E+05 1.5980210E-03 -5.5675736E-04 2.4539664E-04 -1.0543195E-04 2.9353573E-05 8 9.5868324E+04 3.2927920E-03 -1.1533359E-03 5.0875926E-04 -2.1862021E-04 6.0855959E-05 9 4.5082316E+04 6.8037669E-03 -2.3984406E-03 1.0588828E-03 -4.5508704E-04 1.2671592E-04 10 2.1811096E+04 1.3952669E-02 -4.9630666E-03 2.1942006E-03 -9.4330122E-04 2.6258517E-04 11 1.0844717E+04 2.8080149E-02 -1.0130043E-02 4.4871988E-03 -1.9297979E-03 5.3744298E-04 12 5.5303871E+03 5.4599403E-02 -2.0178959E-02 8.9716808E-03 -3.8613892E-03 1.0749988E-03 13 2.8874411E+03 1.0000843E-01 -3.8559365E-02 1.7248477E-02 -7.4326775E-03 2.0709710E-03 14 1.5427641E+03 1.6551288E-01 -6.8733574E-02 3.1101135E-02 -1.3433664E-02 3.7414322E-03 15 8.4513395E+02 2.3188093E-01 -1.0914047E-01 5.0338171E-02 -2.1826577E-02 6.0905381E-03 16 4.7610969E+02 2.5089404E-01 -1.4301514E-01 6.8133035E-02 -2.9741124E-02 8.2913301E-03 17 2.7586967E+02 1.8685062E-01 -1.3027110E-01 6.4604963E-02 -2.8436298E-02 7.9770902E-03 18 1.6364563E+02 8.1225962E-02 -2.4371568E-02 1.1035106E-02 -4.8110407E-03 1.2788666E-03 19 9.9833181E+01 1.5912088E-02 1.7962754E-01 -1.1776924E-01 5.4826834E-02 -1.5338772E-02 20 6.1734460E+01 1.8496398E-03 3.6983182E-01 -2.9531186E-01 1.4396611E-01 -4.1273160E-02 21 3.8919682E+01 -1.8590988E-04 3.5507872E-01 -3.6370285E-01 1.8604246E-01 -5.2820568E-02 22 2.4976413E+01 2.4972519E-04 2.0098299E-01 -2.0599085E-01 1.0806419E-01 -3.2179917E-02 23 1.5430928E+01 -2.4051197E-04 5.8260759E-02 1.3982884E-01 -8.0518379E-02 2.4595722E-02 24 1.0122651E+01 1.1616659E-04 2.6195996E-03 5.1261427E-01 -4.1696537E-01 1.2992198E-01 25 6.3532582E+00 -8.7818103E-05 2.6965666E-03 5.0604447E-01 -5.9044281E-01 1.9942322E-01 26 3.8372507E+00 3.9599612E-05 -7.7092034E-04 1.8195454E-01 -1.4249699E-01 3.3135376E-02 27 2.2081211E+00 -1.4579314E-05 1.9439356E-04 1.9814743E-02 5.2572009E-01 -2.1456856E-01 28 1.2348418E+00 8.9276834E-06 -1.9539658E-04 2.1860163E-03 6.5659577E-01 -3.4020628E-01 29 6.6410819E-01 -2.7471548E-06 4.1279020E-05 4.5581389E-04 2.4925329E-01 -2.2742025E-01 30 2.8202334E-01 1.2476772E-06 -2.3001009E-05 5.3686502E-05 1.4956037E-02 1.8748588E-01 31 1.4695134E-01 -7.6100708E-07 1.3844696E-05 -1.9219962E-05 -1.9699161E-03 5.2558308E-01 32 7.2704208E-02 3.0652847E-07 -5.5071095E-06 4.5693894E-06 6.4047662E-04 4.3894646E-01 33 3.5142002E-02 -7.4536800E-08 1.3598202E-06 -1.9466095E-06 -1.0960360E-04 9.1614537E-02 2p- 3p- 4p- 5p- 1 4.1428526E+07 4.4636949E-06 -2.0388287E-06 8.3554738E-07 -1.6877703E-07 2 9.1070348E+06 1.4035182E-05 -6.4107812E-06 2.6272738E-06 -5.3069052E-07 3 2.3983519E+06 3.4591114E-05 -1.5800887E-05 6.4755390E-06 -1.3080451E-06 4 7.1282736E+05 7.8086272E-05 -3.5672523E-05 1.4619882E-05 -2.9530715E-06 5 2.3281254E+05 1.6807003E-04 -7.6801728E-05 3.1476758E-05 -6.3585081E-06 6 8.2454357E+04 3.5377288E-04 -1.6174851E-04 6.6302204E-05 -1.3391892E-05 7 3.1415693E+04 7.5236660E-04 -3.4442923E-04 1.4120469E-04 -2.8528324E-05 8 1.2802658E+04 1.6686779E-03 -7.6554775E-04 3.1402452E-04 -6.3424351E-05 9 5.5678426E+03 3.9117466E-03 -1.8017517E-03 7.3945256E-04 -1.4944425E-04 10 2.5697906E+03 9.5975610E-03 -4.4475349E-03 1.8279319E-03 -3.6922610E-04 11 1.2462109E+03 2.3746838E-02 -1.1126377E-02 4.5808195E-03 -9.2633408E-04 12 6.2931224E+02 5.6321849E-02 -2.6886373E-02 1.1113092E-02 -2.2462244E-03 13 3.2862964E+02 1.2066288E-01 -5.9431833E-02 2.4702315E-02 -5.0026002E-03 14 1.7615450E+02 2.1810991E-01 -1.1197227E-01 4.6947415E-02 -9.5057268E-03 15 9.6251051E+01 3.0491129E-01 -1.6441679E-01 6.9692064E-02 -1.4160500E-02 16 5.3358380E+01 2.8245572E-01 -1.3840628E-01 5.6985727E-02 -1.1476682E-02 17 2.9679431E+01 1.4103213E-01 6.3343938E-02 -4.4898223E-02 9.5867767E-03 18 1.6350287E+01 2.8022370E-02 3.6327871E-01 -2.1051360E-01 4.4737222E-02 19 9.1136801E+00 1.6318065E-03 4.5497580E-01 -3.0541231E-01 6.6120147E-02 20 5.0767333E+00 2.3297884E-04 2.1668563E-01 -4.8888480E-02 5.4155674E-03 21 2.7516461E+00 -1.1795895E-04 3.3437803E-02 3.9514313E-01 -1.0515374E-01 22 1.4433787E+00 -2.6648081E-05 1.9824043E-03 5.1404614E-01 -1.4009358E-01 23 7.3330241E-01 -2.1018703E-05 4.1416595E-04 2.4783994E-01 -7.6897569E-02 24 3.3886537E-01 4.9903041E-07 1.2923649E-05 3.1776964E-02 1.2181614E-01 25 1.4839747E-01 -1.0966024E-06 -2.2635120E-06 6.3991919E-04 4.0329228E-01 26 6.3599765E-02 5.4415566E-07 -3.5865063E-06 4.8685355E-04 4.7760000E-01 27 2.6984065E-02 -1.3074053E-07 1.6775169E-07 -5.3591473E-05 1.6597450E-01 2p+ 3p+ 4p+ 5p+ 1 4.1428526E+07 1.0517790E-08 -4.8518756E-09 1.9819361E-09 -3.9382431E-10 2 9.1070348E+06 6.1040794E-08 -2.8126413E-08 1.1513708E-08 -2.2778740E-09 3 2.3983519E+06 3.2038990E-07 -1.4788319E-07 6.0439293E-08 -1.2000662E-08 4 7.1282736E+05 1.5466191E-06 -7.1362689E-07 2.9210463E-07 -5.7827226E-08 5 2.3281254E+05 7.1197247E-06 -3.2905110E-06 1.3454693E-06 -2.6704281E-07 6 8.2454357E+04 3.1308046E-05 -1.4471502E-05 5.9243292E-06 -1.1733048E-06 7 3.1415693E+04 1.3068694E-04 -6.0508692E-05 2.4754008E-05 -4.9118176E-06 8 1.2802658E+04 5.0969653E-04 -2.3622435E-04 9.6741353E-05 -1.9165235E-05 9 5.5678426E+03 1.8210284E-03 -8.4669364E-04 3.4668414E-04 -6.8787315E-05 10 2.5697906E+03 5.9288195E-03 -2.7694652E-03 1.1358015E-03 -2.2507836E-04 11 1.2462109E+03 1.7525797E-02 -8.2704127E-03 3.3959714E-03 -6.7403085E-04 12 6.2931224E+02 4.6449885E-02 -2.2308617E-02 9.1972328E-03 -1.8239103E-03 13 3.2862964E+02 1.0719943E-01 -5.3089269E-02 2.2000835E-02 -4.3724049E-03 14 1.7615450E+02 2.0510351E-01 -1.0584433E-01 4.4253976E-02 -8.7911481E-03 15 9.6251051E+01 3.0211347E-01 -1.6453142E-01 6.9573917E-02 -1.3872429E-02 16 5.3358380E+01 2.9666542E-01 -1.5407104E-01 6.4238895E-02 -1.2726820E-02 17 2.9679431E+01 1.5982301E-01 3.1888354E-02 -2.8637029E-02 6.0681151E-03 18 1.6350287E+01 3.5428486E-02 3.3884586E-01 -1.9450868E-01 4.0487671E-02 19 9.1136801E+00 2.1369593E-03 4.6715756E-01 -3.1172018E-01 6.6033701E-02 20 5.0767333E+00 3.5096478E-04 2.4327924E-01 -8.7062026E-02 1.4588417E-02 21 2.7516461E+00 -1.7371221E-04 4.2354622E-02 3.6230098E-01 -9.3989852E-02 22 1.4433787E+00 -7.8636308E-06 2.5541634E-03 5.2221069E-01 -1.3801548E-01 23 7.3330241E-01 -3.4262701E-05 5.4445014E-04 2.7838153E-01 -8.9233968E-02 24 3.3886537E-01 5.1425923E-06 8.7178129E-07 4.1346187E-02 9.6421380E-02 25 1.4839747E-01 -3.3440991E-06 5.5901826E-06 5.8676155E-04 3.8215569E-01 26 6.3599765E-02 1.5262670E-06 -7.7682205E-06 7.4417903E-04 4.9058498E-01 27 2.6984065E-02 -4.1403628E-07 1.2018476E-06 -1.0445026E-04 1.9642763E-01 3d- 4d- 1 1.6290524E+04 1.6874257E-05 -6.0116719E-06 2 4.1744221E+03 1.0435146E-04 -3.7242181E-05 3 1.4841644E+03 5.6023475E-04 -1.9995438E-04 4 6.2272694E+02 2.6049591E-03 -9.3309691E-04 5 2.8988999E+02 1.0233153E-02 -3.6770528E-03 6 1.4474177E+02 3.2796283E-02 -1.1869839E-02 7 7.5691230E+01 8.5545468E-02 -3.1293151E-02 8 4.0982586E+01 1.7690203E-01 -6.5458801E-02 9 2.2644277E+01 2.7638160E-01 -9.9971276E-02 10 1.2647704E+01 3.1699320E-01 -1.0779395E-01 11 7.1267469E+00 2.3161023E-01 -3.3132843E-02 12 3.9869563E+00 9.0229327E-02 1.4837179E-01 13 2.1775314E+00 1.5016152E-02 3.1324154E-01 14 1.1661294E+00 9.0007723E-04 3.4696068E-01 15 6.2215607E-01 9.7571633E-05 2.4675179E-01 16 3.4162573E-01 -1.1365746E-05 1.1375716E-01 17 1.8482052E-01 5.3712090E-07 3.7431763E-02 18 7.2672750E-02 -1.3789627E-06 2.7255175E-03 3d+ 4d+ 1 1.6290524E+04 4.3065022E-06 -1.5236029E-06 2 4.1744221E+03 5.5559576E-05 -1.9721752E-05 3 1.4841644E+03 4.1163201E-04 -1.4599057E-04 4 6.2272694E+02 2.2114177E-03 -7.8731077E-04 5 2.8988999E+02 9.3147697E-03 -3.3260272E-03 6 1.4474177E+02 3.1011358E-02 -1.1153400E-02 7 7.5691230E+01 8.2649446E-02 -3.0042911E-02 8 4.0982586E+01 1.7326229E-01 -6.3745479E-02 9 2.2644277E+01 2.7384737E-01 -9.8634693E-02 10 1.2647704E+01 3.1819726E-01 -1.0820567E-01 11 7.1267469E+00 2.3621557E-01 -3.7063914E-02 12 3.9869563E+00 9.3815628E-02 1.4120769E-01 13 2.1775314E+00 1.5999104E-02 3.0754799E-01 14 1.1661294E+00 9.6122485E-04 3.4718157E-01 15 6.2215607E-01 1.1321811E-04 2.5241718E-01 16 3.4162573E-01 -1.5029614E-05 1.1953552E-01 17 1.8482052E-01 2.2945088E-06 4.1115317E-02 18 7.2672750E-02 -1.7105304E-06 3.1702427E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 8.1558825E+07 -3.2643524E-05 1.1148983E-05 -4.9002762E-06 2.1041682E-06 -5.8574624E-07 2 2.1604557E+07 -1.1446588E-04 3.9095941E-05 -1.7184376E-05 7.3790213E-06 -2.0539140E-06 3 7.3347745E+06 -2.2915831E-04 7.8279116E-05 -3.4406296E-05 1.4774021E-05 -4.1128211E-06 4 2.7547371E+06 -4.4155023E-04 1.5086202E-04 -6.6314457E-05 2.8476010E-05 -7.9258528E-06 5 1.1175232E+06 -7.9195968E-04 2.7067282E-04 -1.1897756E-04 5.1089418E-05 -1.4222943E-05 6 4.7503120E+05 -1.4010209E-03 4.7912786E-04 -2.1064136E-04 9.0454052E-05 -2.5175713E-05 7 2.1003140E+05 -2.4013135E-03 8.2208420E-04 -3.6144175E-04 1.5521160E-04 -4.3211613E-05 8 9.5868324E+04 -4.0366807E-03 1.3847536E-03 -6.0906816E-04 2.6157210E-04 -7.2801033E-05 9 4.5082316E+04 -6.5991538E-03 2.2722346E-03 -9.9985570E-04 4.2943327E-04 -1.1956430E-04 10 2.1811096E+04 -1.0486537E-02 3.6362846E-03 -1.6019454E-03 6.8820001E-04 -1.9154222E-04 11 1.0844717E+04 -1.6093148E-02 5.6532886E-03 -2.4949569E-03 1.0722069E-03 -2.9857716E-04 12 5.5303871E+03 -2.3637805E-02 8.5041415E-03 -3.7670956E-03 1.6201578E-03 -4.5097772E-04 13 2.8874411E+03 -3.2532053E-02 1.2214956E-02 -5.4444834E-03 2.3444490E-03 -6.5316700E-04 14 1.5427641E+03 -4.0420998E-02 1.6361612E-02 -7.3785527E-03 3.1849239E-03 -8.8692035E-04 15 8.4513395E+02 -4.2660839E-02 1.9596946E-02 -9.0109570E-03 3.9047804E-03 -1.0894991E-03 16 4.7610969E+02 -3.5042040E-02 1.9531539E-02 -9.2813172E-03 4.0494264E-03 -1.1288048E-03 17 2.7586967E+02 -1.9998095E-02 1.3686463E-02 -6.7785252E-03 2.9828769E-03 -8.3672576E-04 18 1.6364563E+02 -6.7223265E-03 2.0671756E-03 -9.5600427E-04 4.1855056E-04 -1.1175482E-04 19 9.9833181E+01 -1.0291773E-03 -1.1272223E-02 7.3573296E-03 -3.4222389E-03 9.5720729E-04 20 6.1734460E+01 -9.4883863E-05 -1.8367259E-02 1.4615265E-02 -7.1207446E-03 2.0412516E-03 21 3.8919682E+01 8.5086990E-06 -1.4033669E-02 1.4333182E-02 -7.3291324E-03 2.0807575E-03 22 2.4976413E+01 -8.8061894E-06 -6.3678539E-03 6.5170625E-03 -3.4192967E-03 1.0181408E-03 23 1.5430928E+01 6.6676246E-06 -1.4520343E-03 -3.4599855E-03 1.9894711E-03 -6.0765016E-04 24 1.0122651E+01 -2.8051463E-06 -5.2494267E-05 -1.0307933E-02 8.3782416E-03 -2.6102261E-03 25 6.3532582E+00 1.6489888E-06 -4.3247793E-05 -8.0652425E-03 9.4052759E-03 -3.1765047E-03 26 3.8372507E+00 -6.0848603E-07 9.6588004E-06 -2.2543317E-03 1.7657360E-03 -4.1093485E-04 27 2.2081211E+00 1.8902578E-07 -1.8692717E-06 -1.8614946E-04 -4.9368294E-03 2.0147128E-03 28 1.2348418E+00 -8.5702039E-08 1.3919177E-06 -1.5384491E-05 -4.6114294E-03 2.3891097E-03 29 6.6410819E-01 2.3011863E-08 -2.1959197E-07 -2.3380309E-06 -1.2838339E-03 1.1712710E-03 30 2.8202334E-01 -7.8997233E-09 8.0027549E-08 -1.8454535E-07 -5.0197353E-05 -6.2921121E-04 31 1.4695134E-01 4.1492965E-09 -3.5257898E-08 4.9272364E-08 4.7712060E-06 -1.2732850E-03 32 7.2704208E-02 -1.5199260E-09 1.0112026E-08 -8.9593104E-09 -1.0907612E-06 -7.4797931E-04 33 3.5142002E-02 3.5365038E-10 -1.8016735E-09 2.6191870E-09 1.2966251E-07 -1.0853695E-04 2p- 3p- 4p- 5p- 1 4.1428526E+07 -9.8995727E-07 4.5232137E-07 -1.8535580E-07 3.7452805E-08 2 9.1070348E+06 -3.3791539E-06 1.5440647E-06 -6.3293150E-07 1.2780471E-07 3 2.3983519E+06 -8.8431128E-06 4.0434888E-06 -1.6571227E-06 3.3487875E-07 4 7.1282736E+05 -2.1569560E-05 9.8663791E-06 -4.0453558E-06 8.1678651E-07 5 2.3281254E+05 -5.1285438E-05 2.3487020E-05 -9.6280318E-06 1.9459186E-06 6 8.2454357E+04 -1.2059452E-04 5.5273322E-05 -2.2671784E-05 4.5776245E-06 7 3.1415693E+04 -2.8106508E-04 1.2904742E-04 -5.2925328E-05 1.0697546E-05 8 1.2802658E+04 -6.4216109E-04 2.9532756E-04 -1.2121260E-04 2.4476147E-05 9 5.5678426E+03 -1.4115011E-03 6.5139990E-04 -2.6741125E-04 5.4057493E-05 10 2.5697906E+03 -2.9558445E-03 1.3713060E-03 -5.6375568E-04 1.1386289E-04 11 1.2462109E+03 -5.8248581E-03 2.7311200E-03 -1.1245267E-03 2.2742228E-04 12 6.2931224E+02 -1.0575006E-02 5.0504834E-03 -2.0877515E-03 4.2197226E-04 13 3.2862964E+02 -1.7038211E-02 8.3972141E-03 -3.4905250E-03 7.0691155E-04 14 1.7615450E+02 -2.3027355E-02 1.1833530E-02 -4.9623992E-03 1.0047745E-03 15 9.6251051E+01 -2.4044797E-02 1.2989208E-02 -5.5074202E-03 1.1190931E-03 16 5.3358380E+01 -1.6631773E-02 8.1827319E-03 -3.3724290E-03 6.7928125E-04 17 2.9679431E+01 -6.1333626E-03 -2.8275450E-03 1.9944479E-03 -4.2569167E-04 18 1.6350287E+01 -8.2933864E-04 -1.1988117E-02 6.9407053E-03 -1.4748502E-03 19 9.1136801E+00 2.1797780E-05 -1.1213528E-02 7.5233677E-03 -1.6286961E-03 20 5.0767333E+00 3.6449180E-05 -3.9882169E-03 9.0355088E-04 -1.0072210E-04 21 2.7516461E+00 2.9471987E-05 -4.5453622E-04 -5.3442110E-03 1.4222707E-03 22 1.4433787E+00 1.7377274E-05 -2.0524104E-05 -5.0368132E-03 1.3727691E-03 23 7.3330241E-01 1.2212857E-05 -3.6448044E-06 -1.7302389E-03 5.3702544E-04 24 3.3886537E-01 6.8313708E-06 -4.9166760E-07 -1.5011040E-04 -5.7865391E-04 25 1.4839747E-01 4.7449420E-06 -2.8868241E-07 -1.4445107E-06 -1.2675896E-03 26 6.3599765E-02 1.2949690E-06 -7.4242517E-08 -8.4603406E-07 -9.8270325E-04 27 2.6984065E-02 2.2276137E-06 -1.3953299E-07 3.3838622E-07 -2.2247768E-04 2p+ 3p+ 4p+ 5p+ 1 4.1428526E+07 -3.3140449E-08 1.5321977E-08 -6.2362603E-09 1.2484108E-09 2 9.1070348E+06 -1.9395737E-07 8.9174139E-08 -3.6579080E-08 7.2035434E-09 3 2.3983519E+06 -9.0635310E-07 4.1826680E-07 -1.7068734E-07 3.3982219E-08 4 7.1282736E+05 -3.7138983E-06 1.7097627E-06 -7.0013291E-07 1.3838489E-07 5 2.3281254E+05 -1.3665693E-05 6.3024993E-06 -2.5748583E-06 5.1144292E-07 6 8.2454357E+04 -4.5577349E-05 2.1000386E-05 -8.5941396E-06 1.7011607E-06 7 3.1415693E+04 -1.3882297E-04 6.4056975E-05 -2.6185404E-05 5.1966400E-06 8 1.2802658E+04 -3.8655899E-04 1.7846893E-04 -7.3041899E-05 1.4466873E-05 9 5.5678426E+03 -9.7990903E-04 4.5384836E-04 -1.8568866E-04 3.6842561E-05 10 2.5697906E+03 -2.2725852E-03 1.0574421E-03 -4.3337158E-04 8.5867802E-05 11 1.2462109E+03 -4.8235729E-03 2.2677563E-03 -9.3051994E-04 1.8467657E-04 12 6.2931224E+02 -9.2651910E-03 4.4340369E-03 -1.8268595E-03 3.6224877E-04 13 3.2862964E+02 -1.5645218E-02 7.7231155E-03 -3.1986591E-03 6.3565077E-04 14 1.7615450E+02 -2.2079680E-02 1.1361959E-02 -4.7481401E-03 9.4316144E-04 15 9.6251051E+01 -2.4149690E-02 1.3120319E-02 -5.5458475E-03 1.1057374E-03 16 5.3358380E+01 -1.7704763E-02 9.1813522E-03 -3.8281080E-03 7.5842382E-04 17 2.9679431E+01 -7.1222632E-03 -1.4014978E-03 1.2630852E-03 -2.6767810E-04 18 1.6350287E+01 -1.1724875E-03 -1.1169726E-02 6.4086368E-03 -1.3338976E-03 19 9.1136801E+00 -5.2695986E-05 -1.1508396E-02 7.6759387E-03 -1.6259789E-03 20 5.0767333E+00 -6.5049771E-06 -4.4745844E-03 1.6019602E-03 -2.6856783E-04 21 2.7516461E+00 2.3787028E-06 -5.7353973E-04 -4.9027282E-03 1.2718152E-03 22 1.4433787E+00 6.4940118E-08 -2.5050747E-05 -5.1188060E-03 1.3527743E-03 23 7.3330241E-01 2.4526379E-07 -3.8027051E-06 -1.9450618E-03 6.2344798E-04 24 3.3886537E-01 -2.6882834E-08 -4.9245893E-09 -1.9637915E-04 -4.5792536E-04 25 1.4839747E-01 1.1614287E-08 -1.7190592E-08 -1.8452285E-06 -1.2010802E-03 26 6.3599765E-02 -3.6245205E-09 1.5816902E-08 -1.5307495E-06 -1.0093988E-03 27 2.6984065E-02 7.0748978E-10 -1.5568704E-09 1.3983265E-07 -2.6325579E-04 3d- 4d- 1 1.6290524E+04 -6.1504912E-06 2.1900044E-06 2 4.1744221E+03 -3.8379003E-05 1.3705855E-05 3 1.4841644E+03 -1.6466610E-04 5.8767977E-05 4 6.2272694E+02 -5.6313160E-04 2.0173190E-04 5 2.8988999E+02 -1.5967514E-03 5.7374803E-04 6 1.4474177E+02 -3.7131444E-03 1.3439217E-03 7 7.5691230E+01 -7.0928473E-03 2.5946526E-03 8 4.0982586E+01 -1.0859490E-02 4.0188512E-03 9 2.2644277E+01 -1.2650917E-02 4.5770428E-03 10 1.2647704E+01 -1.0860695E-02 3.6943358E-03 11 7.1267469E+00 -5.9592722E-03 8.5339719E-04 12 3.9869563E+00 -1.7342776E-03 -2.8585179E-03 13 2.1775314E+00 -2.1128388E-04 -4.4611834E-03 14 1.1661294E+00 -8.1002448E-06 -3.6164667E-03 15 6.2215607E-01 -1.8601221E-07 -1.8786873E-03 16 3.4162573E-01 3.3073290E-07 -6.4177519E-04 17 1.8482052E-01 1.2962811E-07 -1.5530270E-04 18 7.2672750E-02 8.8111446E-08 -7.0633067E-06 3d+ 4d+ 1 1.6290524E+04 -4.2109123E-06 1.4884714E-06 2 4.1744221E+03 -3.0927371E-05 1.0973084E-05 3 1.4841644E+03 -1.4408559E-04 5.1070715E-05 4 6.2272694E+02 -5.1525124E-04 1.8334488E-04 5 2.8988999E+02 -1.5033527E-03 5.3653232E-04 6 1.4474177E+02 -3.5662322E-03 1.2820536E-03 7 7.5691230E+01 -6.9062716E-03 2.5093976E-03 8 4.0982586E+01 -1.0683102E-02 3.9291173E-03 9 2.2644277E+01 -1.2567791E-02 4.5254287E-03 10 1.2647704E+01 -1.0921631E-02 3.7132789E-03 11 7.1267469E+00 -6.0887842E-03 9.5598624E-04 12 3.9869563E+00 -1.8089727E-03 -2.7209609E-03 13 2.1775314E+00 -2.2801328E-04 -4.3807005E-03 14 1.1661294E+00 -1.0015083E-05 -3.6191600E-03 15 6.2215607E-01 -8.6739563E-07 -1.9220134E-03 16 3.4162573E-01 8.7636757E-08 -6.7447305E-04 17 1.8482052E-01 -1.0588826E-08 -1.7063619E-04 18 7.2672750E-02 4.6643403E-09 -8.2503840E-06 ** Sn 120 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.9679550E+07 1.9796146E-05 -6.7975346E-06 3.0024101E-06 -1.3063091E-06 3.9276252E-07 2 2.1111952E+07 4.9311303E-05 -1.6963604E-05 7.4946601E-06 -3.2610301E-06 9.8048542E-07 3 7.1669636E+06 1.0569656E-04 -3.6432683E-05 1.6100764E-05 -7.0059714E-06 2.1065048E-06 4 2.6922571E+06 2.1159520E-04 -7.3152734E-05 3.2342378E-05 -1.4074735E-05 4.2319083E-06 5 1.0939261E+06 4.2389899E-04 -1.4704934E-04 6.5044673E-05 -2.8308033E-05 8.5117818E-06 6 4.6648190E+05 8.4907253E-04 -2.9579617E-04 1.3092011E-04 -5.6986931E-05 1.7135074E-05 7 2.0711902E+05 1.7216516E-03 -6.0261138E-04 2.6689244E-04 -1.1618239E-04 3.4936118E-05 8 9.4950649E+04 3.5216936E-03 -1.2394927E-03 5.4940138E-04 -2.3921784E-04 7.1932274E-05 9 4.4827047E+04 7.2316804E-03 -2.5623573E-03 1.1368286E-03 -4.9504566E-04 1.4887160E-04 10 2.1739911E+04 1.4785201E-02 -5.2881309E-03 2.3494012E-03 -1.0234699E-03 3.0777805E-04 11 1.0808631E+04 2.9753791E-02 -1.0799631E-02 4.8082893E-03 -2.0952794E-03 6.3018927E-04 12 5.4996837E+03 5.7863337E-02 -2.1540371E-02 9.6266423E-03 -4.1988446E-03 1.2629326E-03 13 2.8620699E+03 1.0569668E-01 -4.1136278E-02 1.8506424E-02 -8.0812684E-03 2.4315718E-03 14 1.5236558E+03 1.7373789E-01 -7.3115446E-02 3.3289186E-02 -1.4576127E-02 4.3870839E-03 15 8.3025497E+02 2.4069412E-01 -1.1562067E-01 5.3747479E-02 -2.3625746E-02 7.1180163E-03 16 4.6332252E+02 2.5380072E-01 -1.4905569E-01 7.1684998E-02 -3.1755969E-02 9.5757037E-03 17 2.6511834E+02 1.7539113E-01 -1.2355405E-01 6.2002657E-02 -2.7667822E-02 8.3671798E-03 18 1.5730929E+02 6.3831790E-02 3.2261458E-03 -4.6486803E-03 2.2002973E-03 -7.0353181E-04 19 1.0446732E+02 1.1147887E-02 1.3367069E-01 -8.7779492E-02 4.1660832E-02 -1.2650426E-02 20 7.1329590E+01 2.7344599E-03 3.0762463E-01 -2.3683173E-01 1.1575597E-01 -3.5667516E-02 21 4.4743352E+01 1.2695214E-04 4.0835857E-01 -3.9877302E-01 2.0544744E-01 -6.3541739E-02 22 2.7007722E+01 1.6801090E-05 2.4506261E-01 -2.6658039E-01 1.4262102E-01 -4.4862968E-02 23 1.5893325E+01 -4.6225070E-05 5.6989032E-02 2.0378400E-01 -1.2407465E-01 3.9493735E-02 24 9.7731771E+00 -3.2454923E-05 2.8973706E-03 5.9622716E-01 -5.3407821E-01 1.8604753E-01 25 6.0199525E+00 1.8671956E-06 1.5674836E-03 4.3371455E-01 -5.4308324E-01 1.9772366E-01 26 3.7110616E+00 -3.7318046E-06 -6.1608859E-04 1.2425017E-01 -1.6546599E-02 -1.2179042E-02 27 2.2706859E+00 6.1936699E-06 1.5753312E-04 1.4832974E-02 5.0617469E-01 -2.2527302E-01 28 1.3424342E+00 -6.1990213E-07 -1.7505653E-04 2.1778703E-03 6.2669543E-01 -3.6185963E-01 29 7.5165204E-01 9.9430228E-07 3.2051402E-05 5.0629590E-04 2.6198361E-01 -2.6249657E-01 30 3.5062253E-01 -3.0364199E-07 -1.7756960E-05 3.0526097E-05 1.9259739E-02 1.8134663E-01 31 1.8509389E-01 1.4024404E-07 9.6270615E-06 -1.1745387E-05 -1.4645653E-03 5.5089171E-01 32 9.2119430E-02 -6.5863265E-08 -3.1337545E-06 -4.3305989E-06 5.6656915E-04 4.5306600E-01 33 4.4348908E-02 1.1681055E-08 8.0966345E-07 -1.1058662E-06 -6.3084271E-05 9.3285451E-02 2p- 3p- 4p- 5p- 1 4.3524067E+07 4.4913288E-06 -2.0633953E-06 8.6040099E-07 -2.0259419E-07 2 9.9362626E+06 1.4065878E-05 -6.4621903E-06 2.6946592E-06 -6.3450466E-07 3 2.6682617E+06 3.4574177E-05 -1.5885095E-05 6.6238670E-06 -1.5596812E-06 4 8.0036417E+05 7.7927419E-05 -3.5806850E-05 1.4931624E-05 -3.5159676E-06 5 2.6250825E+05 1.6635901E-04 -7.6461440E-05 3.1884902E-05 -7.5076500E-06 6 9.3697913E+04 3.4518693E-04 -1.5873132E-04 6.6203863E-05 -1.5590066E-05 7 3.5815467E+04 7.2802199E-04 -3.3518989E-04 1.3981358E-04 -3.2920088E-05 8 1.4582743E+04 1.5895270E-03 -7.3329275E-04 3.0605789E-04 -7.2085637E-05 9 6.3255199E+03 3.6682871E-03 -1.6988848E-03 7.0934885E-04 -1.6702904E-04 10 2.9056573E+03 8.9077167E-03 -4.1490229E-03 1.7350666E-03 -4.0881893E-04 11 1.4022722E+03 2.1924783E-02 -1.0321167E-02 4.3225467E-03 -1.0181873E-03 12 7.0514880E+02 5.2173653E-02 -2.4995410E-02 1.0510287E-02 -2.4786443E-03 13 3.6656695E+02 1.1333519E-01 -5.5967802E-02 2.3656280E-02 -5.5794936E-03 14 1.9557480E+02 2.0931665E-01 -1.0763203E-01 4.5900667E-02 -1.0848777E-02 15 1.0643468E+02 3.0099041E-01 -1.6269860E-01 7.0122598E-02 -1.6582660E-02 16 5.8879326E+01 2.9050400E-01 -1.4726971E-01 6.2340329E-02 -1.4727550E-02 17 3.2761215E+01 1.5417404E-01 4.0413279E-02 -3.4123540E-02 8.7474730E-03 18 1.8087021E+01 3.3672279E-02 3.4257860E-01 -2.0203680E-01 4.9957197E-02 19 1.0090743E+01 2.0384045E-03 4.6382281E-01 -3.1559820E-01 8.0490786E-02 20 5.6311244E+00 3.2015183E-04 2.3778377E-01 -7.8727291E-02 1.3440953E-02 21 3.0577847E+00 -1.5701931E-04 4.0103579E-02 3.8201806E-01 -1.1954925E-01 22 1.6085284E+00 -1.3308843E-05 2.2195507E-03 5.2911218E-01 -1.7435237E-01 23 8.2204937E-01 -3.0538464E-05 4.9136260E-04 2.5768393E-01 -9.1236256E-02 24 3.7962321E-01 4.9288253E-06 -2.2606817E-05 3.1659182E-02 1.6602967E-01 25 1.7493628E-01 -3.0759446E-06 7.6851801E-06 3.4391666E-04 4.4358404E-01 26 7.7726430E-02 1.5077562E-06 -1.0869347E-05 6.8420754E-04 4.3846890E-01 27 3.3744350E-02 -3.5890345E-07 1.2750477E-06 -4.8684272E-05 1.2765170E-01 2p+ 3p+ 4p+ 5p+ 1 4.3524067E+07 1.0599150E-08 -4.9219427E-09 2.0458441E-09 -4.7198442E-10 2 9.9362626E+06 5.9070430E-08 -2.7385523E-08 1.1419967E-08 -2.6378203E-09 3 2.6682617E+06 3.0194076E-07 -1.4028044E-07 5.8349914E-08 -1.3463087E-08 4 8.0036417E+05 1.4388358E-06 -6.6802506E-07 2.7849839E-07 -6.4316329E-08 5 2.6250825E+05 6.4875385E-06 -3.0178673E-06 1.2560533E-06 -2.8986126E-07 6 9.3697913E+04 2.7879446E-05 -1.2967694E-05 5.4065658E-06 -1.2485195E-06 7 3.5815467E+04 1.1538402E-04 -5.3770533E-05 2.2392692E-05 -5.1683394E-06 8 1.4582743E+04 4.4833967E-04 -2.0909103E-04 8.7202040E-05 -2.0137198E-05 9 6.3255199E+03 1.6063540E-03 -7.5156931E-04 3.1327139E-04 -7.2316348E-05 10 2.9056573E+03 5.2762783E-03 -2.4790003E-03 1.0352472E-03 -2.3910619E-04 11 1.4022722E+03 1.5745384E-02 -7.4699697E-03 3.1221313E-03 -7.2101468E-04 12 7.0514880E+02 4.2274373E-02 -2.0387818E-02 8.5567641E-03 -1.9777427E-03 13 3.6656695E+02 9.9519932E-02 -4.9437818E-02 2.0847609E-02 -4.8206958E-03 14 1.9557480E+02 1.9529150E-01 -1.0098771E-01 4.2974857E-02 -9.9531384E-03 15 1.0643468E+02 2.9662951E-01 -1.6188179E-01 6.9639722E-02 -1.6149203E-02 16 5.8879326E+01 3.0398447E-01 -1.6210729E-01 6.9327544E-02 -1.6068535E-02 17 3.2761215E+01 1.7426553E-01 8.2271006E-03 -1.7341308E-02 4.5345641E-03 18 1.8087021E+01 4.2502361E-02 3.1504149E-01 -1.8434233E-01 4.4631261E-02 19 1.0090743E+01 2.7691787E-03 4.7358612E-01 -3.2005219E-01 7.9667963E-02 20 5.6311244E+00 4.5609005E-04 2.6624572E-01 -1.1814363E-01 2.4495341E-02 21 3.0577847E+00 -2.2106020E-04 5.0721094E-02 3.4552361E-01 -1.0551720E-01 22 1.6085284E+00 9.2641863E-06 2.9565898E-03 5.3646349E-01 -1.7064014E-01 23 8.2204937E-01 -4.6603920E-05 6.3812383E-04 2.9027428E-01 -1.0805703E-01 24 3.7962321E-01 1.1104614E-05 -4.1903349E-05 4.1618321E-02 1.3433669E-01 25 1.7493628E-01 -6.2229183E-06 1.8490480E-05 1.3851742E-04 4.2431972E-01 26 7.7726430E-02 2.8772278E-06 -1.6829058E-05 1.0260905E-03 4.5783538E-01 27 3.3744350E-02 -7.3229817E-07 2.5024813E-06 -9.9913489E-05 1.5835449E-01 3d- 4d- 1 1.8146443E+04 1.6210481E-05 -6.0292343E-06 2 4.6133170E+03 9.8831341E-05 -3.6823665E-05 3 1.6313708E+03 5.2486448E-04 -1.9556903E-04 4 6.8231586E+02 2.4301214E-03 -9.0876927E-04 5 3.1716834E+02 9.5536605E-03 -3.5838060E-03 6 1.5841390E+02 3.0757423E-02 -1.1621805E-02 7 8.2994569E+01 8.0722282E-02 -3.0819830E-02 8 4.5071562E+01 1.6890999E-01 -6.5317538E-02 9 2.5018308E+01 2.6854973E-01 -1.0179796E-01 10 1.4047922E+01 3.1598165E-01 -1.1329115E-01 11 7.9655373E+00 2.4093869E-01 -4.4100310E-02 12 4.4905065E+00 1.0014122E-01 1.3795946E-01 13 2.4753573E+00 1.8315498E-02 3.1297988E-01 14 1.3400768E+00 1.1315774E-03 3.5571412E-01 15 7.2142291E-01 1.2042416E-04 2.5158022E-01 16 3.9545442E-01 -2.6602531E-05 1.0818973E-01 17 2.1573367E-01 1.5423329E-06 3.0832744E-02 18 8.8334165E-02 -2.9867242E-06 2.4524877E-03 3d+ 4d+ 1 1.8146443E+04 3.8670001E-06 -1.4299858E-06 2 4.6133170E+03 5.0393202E-05 -1.8698410E-05 3 1.6313708E+03 3.7679744E-04 -1.3968263E-04 4 6.8231586E+02 2.0373588E-03 -7.5817100E-04 5 3.1716834E+02 8.6340911E-03 -3.2223983E-03 6 1.5841390E+02 2.8957840E-02 -1.0886182E-02 7 8.2994569E+01 7.7783116E-02 -2.9545590E-02 8 4.5071562E+01 1.6514792E-01 -6.3571308E-02 9 2.5018308E+01 2.6576171E-01 -1.0043358E-01 10 1.4047922E+01 3.1689183E-01 -1.1371350E-01 11 7.9655373E+00 2.4556729E-01 -4.8103920E-02 12 4.4905065E+00 1.0407378E-01 1.3063706E-01 13 2.4753573E+00 1.9514929E-02 3.0713465E-01 14 1.3400768E+00 1.2181029E-03 3.5615993E-01 15 7.2142291E-01 1.3870859E-04 2.5759051E-01 16 3.9545442E-01 -3.0560753E-05 1.1381757E-01 17 2.1573367E-01 3.6762463E-06 3.3719000E-02 18 8.8334165E-02 -3.4448200E-06 2.8002059E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.9679550E+07 -3.5423804E-05 1.2145500E-05 -5.3633931E-06 2.3334071E-06 -7.0157556E-07 2 2.1111952E+07 -1.2415472E-04 4.2569667E-05 -1.8798786E-05 8.1789349E-06 -2.4590783E-06 3 7.1669636E+06 -2.4834719E-04 8.5164203E-05 -3.7609001E-05 1.6362173E-05 -4.9195739E-06 4 2.6922571E+06 -4.7747505E-04 1.6377262E-04 -7.2325962E-05 3.1468187E-05 -9.4611709E-06 5 1.0939261E+06 -8.5259630E-04 2.9254220E-04 -1.2919871E-04 5.6209392E-05 -1.6900513E-05 6 4.6648190E+05 -1.5003156E-03 5.1511565E-04 -2.2752118E-04 9.8996031E-05 -2.9763930E-05 7 2.0711902E+05 -2.5580207E-03 8.7925691E-04 -3.8841608E-04 1.6899184E-04 -5.0811700E-05 8 9.4950649E+04 -4.2805774E-03 1.4744572E-03 -6.5156543E-04 2.8353175E-04 -8.5246988E-05 9 4.4827047E+04 -6.9736319E-03 2.4114652E-03 -1.0662228E-03 4.6396989E-04 -1.3950997E-04 10 2.1739911E+04 -1.1073323E-02 3.8572792E-03 -1.7073876E-03 7.4324259E-04 -2.2347614E-04 11 1.0808631E+04 -1.7011440E-02 6.0065771E-03 -2.6640544E-03 1.1599858E-03 -3.4883735E-04 12 5.4996837E+03 -2.4987608E-02 9.0458110E-03 -4.0271833E-03 1.7551856E-03 -5.2784982E-04 13 2.8620699E+03 -3.4262862E-02 1.2973132E-02 -5.8146723E-03 2.5371903E-03 -7.6331355E-04 14 1.5236558E+03 -4.2222188E-02 1.7303156E-02 -7.8505443E-03 3.4350746E-03 -1.0337454E-03 15 8.3025497E+02 -4.3959412E-02 2.0591642E-02 -9.5420756E-03 4.1917370E-03 -1.2627539E-03 16 4.6332252E+02 -3.5027323E-02 2.0102607E-02 -9.6432615E-03 4.2697760E-03 -1.2873925E-03 17 2.6511834E+02 -1.8431993E-02 1.2752078E-02 -6.3930391E-03 2.8522731E-03 -8.6253434E-04 18 1.5730929E+02 -5.1881615E-03 -1.5435121E-04 2.9652202E-04 -1.4012319E-04 4.5275111E-05 19 1.0446732E+02 -7.3700148E-04 -8.5795174E-03 5.6073346E-03 -2.6591474E-03 8.0730704E-04 20 7.1329590E+01 -1.5125626E-04 -1.6408476E-02 1.2584688E-02 -6.1465766E-03 1.8936911E-03 21 4.4743352E+01 -4.4151058E-06 -1.7301258E-02 1.6841933E-02 -8.6733507E-03 2.6823673E-03 22 2.7007722E+01 -1.1168598E-06 -8.0752955E-03 8.7686573E-03 -4.6911576E-03 1.4755988E-03 23 1.5893325E+01 1.5725931E-06 -1.4416129E-03 -5.1214390E-03 3.1140802E-03 -9.9093074E-04 24 9.7731771E+00 3.4218885E-07 -5.7150407E-05 -1.1782052E-02 1.0546026E-02 -3.6733028E-03 25 6.0199525E+00 1.8751778E-07 -2.4551573E-05 -6.7294841E-03 8.4220449E-03 -3.0661965E-03 26 3.7110616E+00 -9.7256171E-08 7.6418298E-06 -1.5139582E-03 2.0288784E-04 1.4752829E-04 27 2.2706859E+00 2.1425368E-08 -1.5710660E-06 -1.4130676E-04 -4.8201889E-03 2.1449775E-03 28 1.3424342E+00 -3.3743702E-08 1.3154941E-06 -1.5978782E-05 -4.5892232E-03 2.6495552E-03 29 7.5165204E-01 9.6219107E-09 -1.8812285E-07 -2.7652531E-06 -1.4356068E-03 1.4382752E-03 30 3.5062253E-01 -4.9850199E-09 7.1390274E-08 -1.1819437E-07 -7.2080366E-05 -6.7859534E-04 31 1.8509389E-01 2.9525430E-09 -2.8819392E-08 3.4095972E-08 3.9820464E-06 -1.4978220E-03 32 9.2119430E-02 -1.2045281E-09 7.0486298E-09 7.4525661E-09 -1.0866445E-06 -8.6903287E-04 33 4.4348908E-02 3.2209725E-10 -1.3380591E-09 1.6892337E-09 8.3913805E-08 -1.2415272E-04 2p- 3p- 4p- 5p- 1 4.3524067E+07 -1.0107355E-06 4.6452838E-07 -1.9367148E-07 4.5592741E-08 2 9.9362626E+06 -3.4386211E-06 1.5802845E-06 -6.5916234E-07 1.5525236E-07 3 2.6682617E+06 -8.9241761E-06 4.1045114E-06 -1.7113812E-06 4.0286175E-07 4 8.0036417E+05 -2.1678173E-05 9.9728370E-06 -4.1609481E-06 9.8013052E-07 5 2.6250825E+05 -5.0737545E-05 2.3372664E-05 -9.7475901E-06 2.2945557E-06 6 9.3697913E+04 -1.1717751E-04 5.4014095E-05 -2.2545602E-05 5.3112331E-06 7 3.5815467E+04 -2.7087379E-04 1.2509992E-04 -5.2197784E-05 1.2287962E-05 8 1.4582743E+04 -6.1463022E-04 2.8427337E-04 -1.1873114E-04 2.7972798E-05 9 6.3255199E+03 -1.3486022E-03 6.2593232E-04 -2.6141748E-04 6.1549668E-05 10 2.9056573E+03 -2.8335167E-03 1.3214749E-03 -5.5280881E-04 1.3027095E-04 11 1.4022722E+03 -5.6082634E-03 2.6422856E-03 -1.1067002E-03 2.6067679E-04 12 7.0514880E+02 -1.0271851E-02 4.9234888E-03 -2.0705251E-03 4.8831518E-04 13 3.6656695E+02 -1.6816257E-02 8.3094968E-03 -3.5125125E-03 8.2844593E-04 14 1.9557480E+02 -2.3223527E-02 1.1953694E-02 -5.0987025E-03 1.2051401E-03 15 1.0643468E+02 -2.4926328E-02 1.3498046E-02 -5.8192932E-03 1.3761988E-03 16 5.8879326E+01 -1.7960332E-02 9.1410527E-03 -3.8731781E-03 9.1516030E-04 17 3.2761215E+01 -7.0508424E-03 -1.9023742E-03 1.5930504E-03 -4.0812621E-04 18 1.8087021E+01 -1.0633560E-03 -1.1890112E-02 7.0051958E-03 -1.7319479E-03 19 1.0090743E+01 1.6372318E-05 -1.2028655E-02 8.1798587E-03 -2.0860815E-03 20 5.6311244E+00 3.8950227E-05 -4.6092747E-03 1.5295561E-03 -2.6175167E-04 21 3.0577847E+00 3.3575311E-05 -5.7440395E-04 -5.4460020E-03 1.7044049E-03 22 1.6085284E+00 1.8939147E-05 -2.4147370E-05 -5.4729310E-03 1.8035428E-03 23 8.2204937E-01 1.4014544E-05 -4.4714339E-06 -1.9046272E-03 6.7460276E-04 24 3.7962321E-01 7.2907394E-06 -3.3790486E-07 -1.5825607E-04 -8.3473433E-04 25 1.7493628E-01 5.4071288E-06 -3.5451970E-07 -5.1081767E-07 -1.5137845E-03 26 7.7726430E-02 1.3337104E-06 -5.7934309E-08 -1.3910121E-06 -9.9736826E-04 27 3.3744350E-02 2.7632821E-06 -1.7069312E-07 4.1279326E-07 -1.9136630E-04 2p+ 3p+ 4p+ 5p+ 1 4.3524067E+07 -3.2327448E-08 1.5060971E-08 -6.2239905E-09 1.4322625E-09 2 9.9362626E+06 -1.8613411E-07 8.6052295E-08 -3.6004133E-08 8.3278619E-09 3 2.6682617E+06 -8.4979219E-07 3.9488078E-07 -1.6387759E-07 3.7777982E-08 4 8.0036417E+05 -3.4783896E-06 1.6109963E-06 -6.7218598E-07 1.5530201E-07 5 2.6250825E+05 -1.2675214E-05 5.8843949E-06 -2.4463997E-06 5.6436968E-07 6 9.3697913E+04 -4.1838657E-05 1.9396815E-05 -8.0852306E-06 1.8672125E-06 7 3.5815467E+04 -1.2769415E-04 5.9301696E-05 -2.4674585E-05 5.6939940E-06 8 1.4582743E+04 -3.5675492E-04 1.6571798E-04 -6.9069422E-05 1.5948902E-05 9 6.3255199E+03 -9.1086409E-04 4.2445497E-04 -1.7677541E-04 4.0801675E-05 10 2.9056573E+03 -2.1346816E-03 9.9887281E-04 -4.1683219E-04 9.6264550E-05 11 1.4022722E+03 -4.5754233E-03 2.1621894E-03 -9.0301425E-04 2.0851484E-04 12 7.0514880E+02 -8.9002633E-03 4.2763176E-03 -1.7935444E-03 4.1450623E-04 13 3.6656695E+02 -1.5314443E-02 7.5816443E-03 -3.1950827E-03 7.3874486E-04 14 1.9557480E+02 -2.2132680E-02 1.1410600E-02 -4.8531444E-03 1.1239228E-03 15 1.0643468E+02 -2.4923708E-02 1.3566841E-02 -5.8337255E-03 1.3527339E-03 16 5.8879326E+01 -1.9054663E-02 1.0144240E-02 -4.3380100E-03 1.0054497E-03 17 3.2761215E+01 -8.1595517E-03 -3.6716737E-04 7.9927517E-04 -2.0918870E-04 18 1.8087021E+01 -1.4795830E-03 -1.0920524E-02 6.3866426E-03 -1.5461584E-03 19 1.0090743E+01 -7.1907309E-05 -1.2275734E-02 8.2921944E-03 -2.0640067E-03 20 5.6311244E+00 -8.8865365E-06 -5.1575956E-03 2.2890265E-03 -4.7475821E-04 21 3.0577847E+00 3.1823949E-06 -7.2404687E-04 -4.9287683E-03 1.5050635E-03 22 1.6085284E+00 -1.0798389E-07 -3.0621257E-05 -5.5511999E-03 1.7656245E-03 23 8.2204937E-01 3.5066202E-07 -4.7152280E-06 -2.1474034E-03 7.9934352E-04 24 3.7962321E-01 -5.8370268E-08 2.0790515E-07 -2.0922305E-04 -6.7527156E-04 25 1.7493628E-01 2.2451537E-08 -6.1699813E-08 -4.7442895E-07 -1.4479448E-03 26 7.7726430E-02 -7.0662780E-09 3.7662893E-08 -2.3332058E-06 -1.0413936E-03 27 3.3744350E-02 1.2554006E-09 -3.5581729E-09 1.4948878E-07 -2.3733026E-04 3d- 4d- 1 1.8146443E+04 -5.8752717E-06 2.1839749E-06 2 4.6133170E+03 -3.6808728E-05 1.3724279E-05 3 1.6313708E+03 -1.5868231E-04 5.9123162E-05 4 6.8231586E+02 -5.4474620E-04 2.0373492E-04 5 3.1716834E+02 -1.5519517E-03 5.8216441E-04 6 1.5841390E+02 -3.6342177E-03 1.3732452E-03 7 8.2994569E+01 -6.9995307E-03 2.6724595E-03 8 4.5071562E+01 -1.0866404E-02 4.2025929E-03 9 2.5018308E+01 -1.2915890E-02 4.8971230E-03 10 1.4047922E+01 -1.1407293E-02 4.0912469E-03 11 7.9655373E+00 -6.5534049E-03 1.2007085E-03 12 4.4905065E+00 -2.0428550E-03 -2.8205288E-03 13 2.4753573E+00 -2.7512375E-04 -4.7523666E-03 14 1.3400768E+00 -1.1115712E-05 -3.9745679E-03 15 7.2142291E-01 -3.1833225E-07 -2.0625834E-03 16 3.9545442E-01 4.9757073E-07 -6.5667016E-04 17 2.1573367E-01 1.4251606E-07 -1.3819538E-04 18 8.8334165E-02 1.1747626E-07 -6.9964713E-06 3d+ 4d+ 1 1.8146443E+04 -3.9263405E-06 1.4505459E-06 2 4.6133170E+03 -2.9240396E-05 1.0844311E-05 3 1.6313708E+03 -1.3763138E-04 5.0987794E-05 4 6.8231586E+02 -4.9554426E-04 1.8430546E-04 5 3.1716834E+02 -1.4552817E-03 5.4284018E-04 6 1.5841390E+02 -3.4806313E-03 1.3078595E-03 7 8.2994569E+01 -6.8023361E-03 2.5826983E-03 8 4.5071562E+01 -1.0675686E-02 4.1079193E-03 9 2.5018308E+01 -1.2818410E-02 4.8427142E-03 10 1.4047922E+01 -1.1462386E-02 4.1122739E-03 11 7.9655373E+00 -6.6919306E-03 1.3114699E-03 12 4.4905065E+00 -2.1297754E-03 -2.6713022E-03 13 2.4753573E+00 -2.9653896E-04 -4.6643211E-03 14 1.3400768E+00 -1.3606696E-05 -3.9800336E-03 15 7.2142291E-01 -1.1439855E-06 -2.1121018E-03 16 3.9545442E-01 1.8906492E-07 -6.9095994E-04 17 2.1573367E-01 -1.7842538E-08 -1.5119197E-04 18 8.8334165E-02 1.0163568E-08 -8.0343754E-06 ** Sb 121 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.9618374E+07 2.1452655E-05 -7.3951158E-06 3.2810927E-06 -1.4457068E-06 4.6042400E-07 2 2.1177085E+07 5.3024132E-05 -1.8312975E-05 8.1273414E-06 -3.5812721E-06 1.1405521E-06 3 7.2485942E+06 1.1218214E-04 -3.8821823E-05 1.7234291E-05 -7.5945699E-06 2.4187630E-06 4 2.7577612E+06 2.1975388E-04 -7.6279191E-05 3.3877150E-05 -1.4930098E-05 4.7549759E-06 5 1.1432960E+06 4.2745578E-04 -1.4887528E-04 6.6151584E-05 -2.9156010E-05 9.2862287E-06 6 4.9984472E+05 8.2803579E-04 -2.8962109E-04 1.2876564E-04 -5.6761962E-05 1.8078144E-05 7 2.2794588E+05 1.6246453E-03 -5.7087508E-04 2.5398694E-04 -1.1197121E-04 3.5665452E-05 8 1.0719236E+05 3.2218699E-03 -1.1383219E-03 5.0682056E-04 -2.2348377E-04 7.1179753E-05 9 5.1736853E+04 6.4499928E-03 -2.2934679E-03 1.0221302E-03 -4.5076088E-04 1.4359094E-04 10 2.5533233E+04 1.2930739E-02 -4.6384737E-03 2.0697291E-03 -9.1308069E-04 2.9083367E-04 11 1.2869247E+04 2.5646385E-02 -9.3215553E-03 4.1677761E-03 -1.8391791E-03 5.8596603E-04 12 6.6203355E+03 4.9509340E-02 -1.8398097E-02 8.2523202E-03 -3.6446105E-03 1.1610706E-03 13 3.4739086E+03 9.0929284E-02 -3.5103617E-02 1.5837952E-02 -7.0019123E-03 2.2317171E-03 14 1.8579647E+03 1.5331231E-01 -6.3289581E-02 2.8843858E-02 -1.2781594E-02 4.0740921E-03 15 1.0128426E+03 2.2372647E-01 -1.0353479E-01 4.8050143E-02 -2.1365945E-02 6.8183464E-03 16 5.6377274E+02 2.5697378E-01 -1.4254804E-01 6.8149751E-02 -3.0508818E-02 9.7402591E-03 17 3.2132444E+02 2.0312581E-01 -1.3887588E-01 6.9262596E-02 -3.1253779E-02 1.0010855E-02 18 1.8810067E+02 9.2568456E-02 -3.9109901E-02 1.8717168E-02 -8.4759685E-03 2.6826767E-03 19 1.1409331E+02 1.9592369E-02 1.5949354E-01 -1.0433188E-01 4.9913886E-02 -1.6073225E-02 20 7.0879649E+01 2.1438042E-03 3.5315888E-01 -2.8113002E-01 1.4034554E-01 -4.5917878E-02 21 4.4468904E+01 4.7998915E-06 3.7918381E-01 -3.8045829E-01 1.9997165E-01 -6.5535086E-02 22 2.7719925E+01 1.1874685E-04 2.1838761E-01 -2.4058107E-01 1.3071754E-01 -4.3983570E-02 23 1.7243248E+01 -1.4050625E-04 5.5314375E-02 1.7038681E-01 -1.0252545E-01 3.4975926E-02 24 1.0891505E+01 4.8431865E-05 6.5553428E-03 5.3794944E-01 -4.7320895E-01 1.7319875E-01 25 7.0155628E+00 -6.1518021E-05 4.5596187E-04 4.5012502E-01 -5.4217012E-01 2.1208180E-01 26 4.5139653E+00 3.2636489E-05 2.0826602E-04 1.8549259E-01 -1.8407491E-01 5.6435733E-02 27 2.7836408E+00 -1.1572405E-05 -2.4825987E-04 3.1261969E-02 4.1559162E-01 -1.9355354E-01 28 1.6095789E+00 7.5716814E-06 -2.6071599E-05 3.1990965E-03 7.0702509E-01 -4.1413219E-01 29 8.8937840E-01 -1.8992290E-06 -3.6456593E-05 6.6399269E-04 3.3464845E-01 -3.3558744E-01 30 4.1643195E-01 8.9475097E-07 8.2099394E-06 3.5084511E-05 2.7964970E-02 1.7043723E-01 31 2.2300726E-01 -5.1705838E-07 -3.3169933E-06 -2.6606100E-05 -2.1516000E-03 5.7396133E-01 32 1.1134555E-01 1.6298398E-07 2.0513861E-06 -6.1233404E-06 8.6821482E-04 4.6349169E-01 33 5.3554385E-02 -4.1784979E-08 -2.7145094E-07 -2.2879672E-06 -8.8564496E-05 9.3101324E-02 2p- 3p- 4p- 5p- 1 4.4622198E+07 4.7714125E-06 -2.2043051E-06 9.3446906E-07 -2.4403068E-07 2 1.0157524E+07 1.5153447E-05 -7.0007120E-06 2.9678309E-06 -7.7505257E-07 3 2.7371358E+06 3.6848742E-05 -1.7024671E-05 7.2173329E-06 -1.8847369E-06 4 8.2907697E+05 8.1985985E-05 -3.7882218E-05 1.6060071E-05 -4.1942513E-06 5 2.7481569E+05 1.7406904E-04 -8.0451921E-05 3.4108316E-05 -8.9066627E-06 6 9.8181287E+04 3.6267725E-04 -1.6770770E-04 7.1111275E-05 -1.8573676E-05 7 3.7497253E+04 7.5912534E-04 -3.5146555E-04 1.4905218E-04 -3.8917606E-05 8 1.5293286E+04 1.6422548E-03 -7.6188868E-04 3.2327430E-04 -8.4464978E-05 9 6.6369328E+03 3.7566324E-03 -1.7496214E-03 7.4279907E-04 -1.9392171E-04 10 3.0525593E+03 9.0042635E-03 -4.2180130E-03 1.7931983E-03 -4.6881061E-04 11 1.4758298E+03 2.1968482E-02 -1.0400470E-02 4.4293210E-03 -1.1566157E-03 12 7.4256019E+02 5.2056305E-02 -2.5080382E-02 1.0721394E-02 -2.8060151E-03 13 3.8608503E+02 1.1280469E-01 -5.6010772E-02 2.4077626E-02 -6.2951601E-03 14 2.0599757E+02 2.0845702E-01 -1.0777394E-01 4.6729850E-02 -1.2261894E-02 15 1.1208377E+02 3.0045571E-01 -1.6324753E-01 7.1584156E-02 -1.8759594E-02 16 6.1996060E+01 2.9098635E-01 -1.4834478E-01 6.3800689E-02 -1.6764319E-02 17 3.4505058E+01 1.5520183E-01 3.9477618E-02 -3.4421481E-02 9.9393597E-03 18 1.9077673E+01 3.4110769E-02 3.4260275E-01 -2.0690303E-01 5.6786552E-02 19 1.0678008E+01 2.0725100E-03 4.6338262E-01 -3.2178260E-01 9.1838886E-02 20 5.9815711E+00 3.0866749E-04 2.3767658E-01 -7.8740207E-02 1.3665016E-02 21 3.2745073E+00 -1.6041230E-04 4.0751943E-02 3.8409873E-01 -1.3401841E-01 22 1.7395863E+00 -1.5857272E-05 2.4189404E-03 5.3252148E-01 -2.0223268E-01 23 9.0001119E-01 -3.0074032E-05 4.4237425E-04 2.5447428E-01 -9.5456851E-02 24 4.1904814E-01 5.2198729E-06 -1.6202118E-05 3.0050890E-02 2.1189176E-01 25 1.9867809E-01 -2.9638178E-06 -3.6725959E-06 3.5014857E-04 4.6491092E-01 26 9.0720889E-02 1.6248067E-06 -9.7986546E-06 7.8969032E-04 4.0225442E-01 27 4.0180696E-02 -3.3057881E-07 -1.5725309E-07 -2.5653782E-05 1.0335772E-01 2p+ 3p+ 4p+ 5p+ 1 4.4622198E+07 1.1332510E-08 -5.2941337E-09 2.2397901E-09 -5.7116647E-10 2 1.0157524E+07 6.3230554E-08 -2.9498482E-08 1.2508101E-08 -3.2074379E-09 3 2.7371358E+06 3.1913270E-07 -1.4917126E-07 6.3146917E-08 -1.6119266E-08 4 8.2907697E+05 1.4843021E-06 -6.9344493E-07 2.9401060E-07 -7.5334924E-08 5 2.7481569E+05 6.5878315E-06 -3.0833826E-06 1.3059163E-06 -3.3356182E-07 6 9.8181287E+04 2.8316274E-05 -1.3253862E-05 5.6203119E-06 -1.4395083E-06 7 3.7497253E+04 1.1628281E-04 -5.4527479E-05 2.3106572E-05 -5.9046010E-06 8 1.5293286E+04 4.4858418E-04 -2.1053312E-04 8.9311445E-05 -2.2870009E-05 9 6.6369328E+03 1.6019147E-03 -7.5421028E-04 3.1988386E-04 -8.1769369E-05 10 3.0525593E+03 5.2276519E-03 -2.4717477E-03 1.0500006E-03 -2.6889762E-04 11 1.4758298E+03 1.5552676E-02 -7.4245225E-03 3.1575766E-03 -8.0754496E-04 12 7.4256019E+02 4.1775252E-02 -2.0271343E-02 8.6548344E-03 -2.2180943E-03 13 3.8608503E+02 9.8443228E-02 -4.9193452E-02 2.1110441E-02 -5.4062924E-03 14 2.0599757E+02 1.9380634E-01 -1.0081218E-01 4.3646197E-02 -1.1211696E-02 15 1.1208377E+02 2.9576122E-01 -1.6234166E-01 7.1095645E-02 -1.8256457E-02 16 6.1996060E+01 3.0489341E-01 -1.6380831E-01 7.1276394E-02 -1.8350328E-02 17 3.4505058E+01 1.7619070E-01 5.7938763E-03 -1.6566910E-02 4.9512760E-03 18 1.9077673E+01 4.3432973E-02 3.1375982E-01 -1.8809467E-01 5.0502558E-02 19 1.0678008E+01 2.8562349E-03 4.7357657E-01 -3.2701500E-01 9.0957265E-02 20 5.9815711E+00 4.5318747E-04 2.6721136E-01 -1.2049072E-01 2.6888833E-02 21 3.2745073E+00 -2.3086587E-04 5.1951461E-02 3.4594900E-01 -1.1770879E-01 22 1.7395863E+00 9.3759533E-06 3.2538120E-03 5.4087348E-01 -1.9760674E-01 23 9.0001119E-01 -4.7959714E-05 5.8367520E-04 2.8853909E-01 -1.1705280E-01 24 4.1904814E-01 1.2378623E-05 -3.4875563E-05 3.9950781E-02 1.7511211E-01 25 1.9867809E-01 -6.6739633E-06 5.6835386E-06 1.1919028E-04 4.4854330E-01 26 9.0720889E-02 3.2504560E-06 -1.5816132E-05 1.1691726E-03 4.2661882E-01 27 4.0180696E-02 -7.5001767E-07 6.6634292E-07 -6.2870416E-05 1.3377109E-01 3d- 4d- 1 2.0282877E+04 1.5453899E-05 -5.9669843E-06 2 5.1334551E+03 9.2308695E-05 -3.5708345E-05 3 1.8082527E+03 4.8311573E-04 -1.8686701E-04 4 7.5432154E+02 2.2238885E-03 -8.6341713E-04 5 3.4997595E+02 8.7671309E-03 -3.4137381E-03 6 1.7461745E+02 2.8490354E-02 -1.1175543E-02 7 9.1452333E+01 7.5704439E-02 -2.9992493E-02 8 4.9662156E+01 1.6131298E-01 -6.4813404E-02 9 2.7590058E+01 2.6221916E-01 -1.0355921E-01 10 1.5508740E+01 3.1648695E-01 -1.1878039E-01 11 8.8099266E+00 2.4974213E-01 -5.3576248E-02 12 4.9815947E+00 1.0849821E-01 1.3113237E-01 13 2.7585584E+00 2.1019831E-02 3.1579524E-01 14 1.5037301E+00 1.3141403E-03 3.6314729E-01 15 8.1880380E-01 1.3615846E-04 2.4847313E-01 16 4.6153714E-01 -4.2325673E-05 9.9721170E-02 17 2.6188458E-01 1.5934266E-06 3.1005304E-02 18 1.0878786E-01 -4.6992009E-06 2.7848633E-03 3d+ 4d+ 1 2.0282877E+04 3.4311236E-06 -1.3181457E-06 2 5.1334551E+03 4.4864820E-05 -1.7302032E-05 3 1.8082527E+03 3.3764904E-04 -1.3005220E-04 4 7.5432154E+02 1.8374523E-03 -7.1057181E-04 5 3.4997595E+02 7.8571775E-03 -3.0466651E-03 6 1.7461745E+02 2.6689272E-02 -1.0425406E-02 7 9.1452333E+01 7.2728051E-02 -2.8691849E-02 8 4.9662156E+01 1.5741602E-01 -6.3013992E-02 9 2.7590058E+01 2.5915694E-01 -1.0212855E-01 10 1.5508740E+01 3.1711932E-01 -1.1919605E-01 11 8.8099266E+00 2.5442158E-01 -5.7710500E-02 12 4.9815947E+00 1.1275346E-01 1.2353208E-01 13 2.7585584E+00 2.2410701E-02 3.0978202E-01 14 1.5037301E+00 1.4231519E-03 3.6390778E-01 15 8.1880380E-01 1.5786975E-04 2.5472327E-01 16 4.6153714E-01 -4.7340566E-05 1.0486427E-01 17 2.6188458E-01 4.4385242E-06 3.3690635E-02 18 1.0878786E-01 -5.3150753E-06 3.1483524E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.9618374E+07 -3.7641622E-05 1.2955874E-05 -5.7470878E-06 2.5321251E-06 -8.0643013E-07 2 2.1177085E+07 -1.3139502E-04 4.5227299E-05 -2.0062090E-05 8.8394693E-06 -2.8150656E-06 3 7.2485942E+06 -2.5938601E-04 8.9294395E-05 -3.9611328E-05 1.7452421E-05 -5.5583163E-06 4 2.7577612E+06 -4.9067011E-04 1.6895571E-04 -7.4949355E-05 3.3023886E-05 -1.0516778E-05 5 1.1432960E+06 -8.5372379E-04 2.9406406E-04 -1.3046008E-04 5.7479850E-05 -1.8306863E-05 6 4.9984472E+05 -1.4677116E-03 5.0588519E-04 -2.2444275E-04 9.8897367E-05 -3.1494316E-05 7 2.2794588E+05 -2.4473557E-03 8.4440490E-04 -3.7471268E-04 1.6510232E-04 -5.2585316E-05 8 1.0719236E+05 -4.0282283E-03 1.3926285E-03 -6.1812969E-04 2.7239810E-04 -8.6746271E-05 9 5.1736853E+04 -6.4891666E-03 2.2511469E-03 -9.9978623E-04 4.4058509E-04 -1.4033395E-04 10 2.5533233E+04 -1.0244451E-02 3.5771875E-03 -1.5901195E-03 7.0096030E-04 -2.2323225E-04 11 1.2869247E+04 -1.5697417E-02 5.5459041E-03 -2.4698434E-03 1.0890102E-03 -3.4691346E-04 12 6.6203355E+03 -2.3126561E-02 8.3489596E-03 -3.7298534E-03 1.6459412E-03 -5.2426334E-04 13 3.4739086E+03 -3.2148569E-02 1.2059718E-02 -5.4197979E-03 2.3941444E-03 -7.6297786E-04 14 1.8579647E+03 -4.0870679E-02 1.6407933E-02 -7.4500035E-03 3.2988428E-03 -1.0513382E-03 15 1.0128426E+03 -4.4949422E-02 2.0254915E-02 -9.3682921E-03 4.1628102E-03 -1.3282813E-03 16 5.6377274E+02 -3.9041966E-02 2.1128516E-02 -1.0072092E-02 4.5064208E-03 -1.4385618E-03 17 3.2132444E+02 -2.3486870E-02 1.5726012E-02 -7.8299312E-03 3.5319854E-03 -1.1312517E-03 18 1.8810067E+02 -8.2279241E-03 3.4996027E-03 -1.6932842E-03 7.6833720E-04 -2.4340860E-04 19 1.1409331E+02 -1.3580152E-03 -1.0679633E-02 6.9503250E-03 -3.3219672E-03 1.0694965E-03 20 7.0879649E+01 -1.1793829E-04 -1.8786724E-02 1.4896830E-02 -7.4314724E-03 2.4311115E-03 21 4.4468904E+01 7.9503174E-07 -1.6020514E-02 1.6023116E-02 -8.4184561E-03 2.7587402E-03 22 2.7719925E+01 -4.7761673E-06 -7.2918233E-03 8.0181484E-03 -4.3565596E-03 1.4657979E-03 23 1.7243248E+01 4.3691570E-06 -1.4578238E-03 -4.4577481E-03 2.6781415E-03 -9.1334525E-04 24 1.0891505E+01 -1.5360883E-06 -1.3689726E-04 -1.1220877E-02 9.8624110E-03 -3.6092229E-03 25 7.0155628E+00 1.4111814E-06 -7.8541635E-06 -7.5395384E-03 9.0758591E-03 -3.5500421E-03 26 4.5139653E+00 -6.6212177E-07 -2.6778265E-06 -2.4926972E-03 2.4733484E-03 -7.5865768E-04 27 2.7836408E+00 2.2528821E-07 2.5667934E-06 -3.2986839E-04 -4.3813946E-03 2.0402702E-03 28 1.6095789E+00 -1.0306689E-07 2.3260333E-07 -2.5675881E-05 -5.6692386E-03 3.3202676E-03 29 8.8937840E-01 2.7552250E-08 2.0850426E-07 -3.9536171E-06 -1.9947570E-03 2.0001318E-03 30 4.1643195E-01 -1.0442000E-08 -2.9691249E-08 -1.4533903E-07 -1.1406278E-04 -6.9504235E-04 31 2.2300726E-01 5.2713426E-09 7.7739279E-09 8.0690604E-08 6.4219068E-06 -1.7129348E-03 32 1.1134555E-01 -1.7950935E-09 -3.4913385E-09 1.2425481E-08 -1.8309568E-06 -9.7741324E-04 33 5.3554385E-02 4.2273624E-10 1.8649196E-10 3.4698432E-09 1.2950727E-07 -1.3616185E-04 2p- 3p- 4p- 5p- 1 4.4622198E+07 -1.0967784E-06 5.0687701E-07 -2.1486992E-07 5.6080648E-08 2 1.0157524E+07 -3.7573908E-06 1.7364799E-06 -7.3629544E-07 1.9240695E-07 3 2.7371358E+06 -9.6649287E-06 4.4699755E-06 -1.8950668E-06 4.9453285E-07 4 8.2907697E+05 -2.3066618E-05 1.0671408E-05 -4.5259557E-06 1.1829985E-06 5 2.7481569E+05 -5.3517654E-05 2.4791226E-05 -1.0513231E-05 2.7431950E-06 6 9.8181287E+04 -1.2364215E-04 5.7318443E-05 -2.4319911E-05 6.3577222E-06 7 3.7497253E+04 -2.8317757E-04 1.3152419E-04 -5.5803509E-05 1.4561445E-05 8 1.5293286E+04 -6.3741937E-04 2.9651748E-04 -1.2589420E-04 3.2914685E-05 9 6.6369328E+03 -1.3916342E-03 6.4962763E-04 -2.7589496E-04 7.2003638E-05 10 3.0525593E+03 -2.9015447E-03 1.3610980E-03 -5.7882640E-04 1.5137254E-04 11 1.4758298E+03 -5.7211172E-03 2.7109506E-03 -1.1546803E-03 3.0147961E-04 12 7.4256019E+02 -1.0469882E-02 5.0470581E-03 -2.1577807E-03 5.6479530E-04 13 3.8608503E+02 -1.7133621E-02 8.5129829E-03 -3.6598674E-03 9.5684875E-04 14 2.0599757E+02 -2.3702842E-02 1.2267465E-02 -5.3200818E-03 1.3960716E-03 15 1.1208377E+02 -2.5513096E-02 1.3888228E-02 -6.0918817E-03 1.5964982E-03 16 6.1996060E+01 -1.8449683E-02 9.4446168E-03 -4.0660805E-03 1.0686127E-03 17 3.4505058E+01 -7.2784901E-03 -1.9080701E-03 1.6489261E-03 -4.7581255E-04 18 1.9077673E+01 -1.1033092E-03 -1.2212119E-02 7.3671972E-03 -2.0217197E-03 19 1.0678008E+01 1.9039813E-05 -1.2362335E-02 8.5794080E-03 -2.4484544E-03 20 5.9815711E+00 4.2030238E-05 -4.7486151E-03 1.5770836E-03 -2.7457253E-04 21 3.2745073E+00 3.6134705E-05 -6.0404942E-04 -5.6661025E-03 1.9771485E-03 22 1.7395863E+00 2.0195820E-05 -2.7260761E-05 -5.7281183E-03 2.1754761E-03 23 9.0001119E-01 1.5470778E-05 -4.3269158E-06 -1.9679288E-03 7.3849186E-04 24 4.1904814E-01 7.7521638E-06 -3.8374900E-07 -1.5773931E-04 -1.1192364E-03 25 1.9867809E-01 6.1370542E-06 -3.5057389E-07 -5.0144950E-07 -1.6908170E-03 26 9.0720889E-02 1.2876243E-06 -5.4073028E-08 -1.7763346E-06 -9.8852615E-04 27 4.0180696E-02 3.3070220E-06 -1.9705567E-07 4.5943482E-07 -1.6910161E-04 2p+ 3p+ 4p+ 5p+ 1 4.4622198E+07 -3.3957202E-08 1.5909000E-08 -6.7048466E-09 1.6928509E-09 2 1.0157524E+07 -1.9613969E-07 9.1268195E-08 -3.8784499E-08 1.0004280E-08 3 2.7371358E+06 -8.8713312E-07 4.1468353E-07 -1.7525717E-07 4.4572785E-08 4 8.2907697E+05 -3.5644276E-06 1.6612062E-06 -7.0466330E-07 1.8092463E-07 5 2.7481569E+05 -1.2872485E-05 6.0122504E-06 -2.5440132E-06 6.4899241E-07 6 9.8181287E+04 -4.2762020E-05 1.9948440E-05 -8.4561394E-06 2.1670052E-06 7 3.7497253E+04 -1.3007752E-04 6.0777640E-05 -2.5733271E-05 6.5728348E-06 8 1.5293286E+04 -3.6244194E-04 1.6940434E-04 -7.1813448E-05 1.8390596E-05 9 6.6369328E+03 -9.2514778E-04 4.3375210E-04 -1.8380977E-04 4.6974815E-05 10 3.0525593E+03 -2.1596870E-03 1.0168126E-03 -4.3160474E-04 1.1052421E-04 11 1.4758298E+03 -4.6252559E-03 2.1989677E-03 -9.3444901E-04 2.3894586E-04 12 7.4256019E+02 -9.0122663E-03 4.3560813E-03 -1.8584695E-03 4.7625246E-04 13 3.8608503E+02 -1.5534154E-02 7.7348334E-03 -3.3170046E-03 8.4937187E-04 14 2.0599757E+02 -2.2533047E-02 1.1683968E-02 -5.0556499E-03 1.2985773E-03 15 1.1208377E+02 -2.5498295E-02 1.3958140E-02 -6.1099351E-03 1.5688360E-03 16 6.1996060E+01 -1.9611514E-02 1.0517829E-02 -4.5761417E-03 1.1781369E-03 17 3.4505058E+01 -8.4673691E-03 -2.5923868E-04 7.8233767E-04 -2.3413367E-04 18 1.9077673E+01 -1.5530793E-03 -1.1169144E-02 6.6920103E-03 -1.7966147E-03 19 1.0678008E+01 -7.6309883E-05 -1.2627760E-02 8.7155036E-03 -2.4240335E-03 20 5.9815711E+00 -9.1037937E-06 -5.3351185E-03 2.4061687E-03 -5.3718946E-04 21 3.2745073E+00 3.4399749E-06 -7.6747252E-04 -5.1066378E-03 1.7373959E-03 22 1.7395863E+00 -1.1444064E-07 -3.5045953E-05 -5.8203886E-03 2.1262983E-03 23 9.0001119E-01 3.7788652E-07 -4.5120054E-06 -2.2335219E-03 9.0602956E-04 24 4.1904814E-01 -6.8314686E-08 1.8118519E-07 -2.1101216E-04 -9.2481771E-04 25 1.9867809E-01 2.5719805E-08 -1.9086646E-08 -4.3600921E-07 -1.6311678E-03 26 9.0720889E-02 -8.6078307E-09 3.8174656E-08 -2.8720186E-06 -1.0483716E-03 27 4.0180696E-02 1.4100554E-09 -8.7947010E-10 1.0245746E-07 -2.1877299E-04 3d- 4d- 1 2.0282877E+04 -5.5580126E-06 2.1445064E-06 2 5.1334551E+03 -3.4788089E-05 1.3468532E-05 3 1.8082527E+03 -1.5038534E-04 5.8164093E-05 4 7.5432154E+02 -5.1833632E-04 2.0126896E-04 5 3.4997595E+02 -1.4876206E-03 5.7923580E-04 6 1.7461745E+02 -3.5241508E-03 1.3824240E-03 7 9.1452333E+01 -6.8806509E-03 2.7259936E-03 8 4.9662156E+01 -1.0884930E-02 4.3739850E-03 9 2.7590058E+01 -1.3238345E-02 5.2295607E-03 10 1.5508740E+01 -1.2002368E-02 4.5060962E-03 11 8.8099266E+00 -7.1431451E-03 1.5339043E-03 12 4.9815947E+00 -2.3312208E-03 -2.8234934E-03 13 2.7585584E+00 -3.3352349E-04 -5.0618353E-03 14 1.5037301E+00 -1.3777813E-05 -4.2981850E-03 15 8.1880380E-01 -4.2618407E-07 -2.1702276E-03 16 4.6153714E-01 6.7740280E-07 -6.5386208E-04 17 2.6188458E-01 1.6999284E-07 -1.5310711E-04 18 1.0878786E-01 1.5948063E-07 -8.8116161E-06 3d+ 4d+ 1 2.0282877E+04 -3.6183946E-06 1.3885904E-06 2 5.1334551E+03 -2.7201579E-05 1.0484934E-05 3 1.8082527E+03 -1.2914971E-04 4.9708969E-05 4 7.5432154E+02 -4.6843232E-04 1.8104108E-04 5 3.4997595E+02 -1.3885629E-03 5.3810285E-04 6 1.7461745E+02 -3.3644351E-03 1.3135449E-03 7 9.1452333E+01 -6.6723266E-03 2.6310289E-03 8 4.9662156E+01 -1.0678072E-02 4.2727150E-03 9 2.7590058E+01 -1.3124640E-02 5.1704398E-03 10 1.5508740E+01 -1.2051462E-02 4.5287080E-03 11 8.8099266E+00 -7.2913941E-03 1.6544889E-03 12 4.9815947E+00 -2.4303439E-03 -2.6603405E-03 13 2.7585584E+00 -3.5950846E-04 -4.9662704E-03 14 1.5037301E+00 -1.6839511E-05 -4.3077723E-03 15 8.1880380E-01 -1.3885289E-06 -2.2251079E-03 16 4.6153714E-01 3.1583531E-07 -6.8774804E-04 17 2.6188458E-01 -2.3993985E-08 -1.6644163E-04 18 1.0878786E-01 1.7317285E-08 -1.0024738E-05 ** Te 130 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.6492197E+07 2.3942961E-05 -8.2861047E-06 3.6923539E-06 -1.6466573E-06 5.4879115E-07 2 2.0354226E+07 5.9104512E-05 -2.0495130E-05 9.1353512E-06 -4.0743231E-06 1.3578932E-06 3 6.9801128E+06 1.2438606E-04 -4.3221709E-05 1.9271270E-05 -8.5952764E-06 2.8646589E-06 4 2.6669223E+06 2.4190294E-04 -8.4322263E-05 3.7613339E-05 -1.6778168E-05 5.5920260E-06 5 1.1105731E+06 4.6854068E-04 -1.6389191E-04 7.3144722E-05 -3.2629652E-05 1.0875278E-05 6 4.8718994E+05 9.0281768E-04 -3.1720334E-04 1.4165313E-04 -6.3203195E-05 2.1066182E-05 7 2.2330104E+05 1.7519661E-03 -6.1848551E-04 2.7639596E-04 -1.2333037E-04 4.1107211E-05 8 1.0593516E+05 3.4164744E-03 -1.2129656E-03 5.4247624E-04 -2.4212521E-04 8.0707962E-05 9 5.1724705E+04 6.7281212E-03 -2.4043705E-03 1.0764010E-03 -4.8046161E-04 1.6015248E-04 10 2.5788987E+04 1.3361405E-02 -4.8182093E-03 2.1597126E-03 -9.6443507E-04 3.2150880E-04 11 1.3073998E+04 2.6413184E-02 -9.6529662E-03 4.3358549E-03 -1.9366233E-03 6.4561575E-04 12 6.7423097E+03 5.0792277E-02 -1.8987456E-02 8.5565842E-03 -3.8254319E-03 1.2755559E-03 13 3.5457539E+03 9.2555181E-02 -3.5961397E-02 1.6303154E-02 -7.2955656E-03 2.4330109E-03 14 1.9022028E+03 1.5478799E-01 -6.4355973E-02 2.9475822E-02 -1.3223890E-02 4.4124006E-03 15 1.0386890E+03 2.2543771E-01 -1.0513475E-01 4.9049144E-02 -2.2078796E-02 7.3714169E-03 16 5.7613341E+02 2.5975822E-01 -1.4555253E-01 6.9993917E-02 -3.1736617E-02 1.0611604E-02 17 3.2452020E+02 2.0365422E-01 -1.3995970E-01 7.0270675E-02 -3.2103270E-02 1.0748314E-02 18 1.8605667E+02 8.5996729E-02 -2.4959973E-02 1.0686203E-02 -4.8710329E-03 1.6334552E-03 19 1.1625598E+02 1.3163340E-02 1.5400603E-01 -1.0163712E-01 4.9508757E-02 -1.6790356E-02 20 7.7567752E+01 4.0608664E-03 2.8972503E-01 -2.2817120E-01 1.1471572E-01 -3.9136999E-02 21 5.0227335E+01 -7.8596504E-04 3.9329527E-01 -3.8115175E-01 2.0181486E-01 -6.9515743E-02 22 3.0679129E+01 5.4671819E-04 2.5916150E-01 -2.9327196E-01 1.6144183E-01 -5.6240752E-02 23 1.8219517E+01 -3.9952999E-04 6.5348933E-02 1.7776960E-01 -1.1029088E-01 3.8630787E-02 24 1.1003739E+01 2.4946041E-04 4.4917183E-03 6.1923838E-01 -5.7319634E-01 2.2415369E-01 25 6.7263135E+00 -2.5304021E-04 1.2185828E-03 4.3169262E-01 -5.5362864E-01 2.2547605E-01 26 4.3618858E+00 2.1957610E-04 -5.1716044E-04 1.1675590E-01 -5.7921938E-02 6.5608629E-03 27 2.9888651E+00 -1.3002761E-04 1.1037449E-04 2.8241055E-02 3.4232686E-01 -1.6493852E-01 28 1.8133791E+00 5.0285688E-05 -1.5330288E-04 3.5730769E-03 7.1043809E-01 -4.3353970E-01 29 1.0174645E+00 -1.5989055E-05 1.3167745E-06 8.7974004E-04 3.7682157E-01 -3.8788158E-01 30 5.0000296E-01 6.1195345E-06 -6.7883348E-06 -1.6537818E-05 3.7203648E-02 1.4496129E-01 31 2.6744553E-01 -2.9450458E-06 5.0906891E-06 -1.5137511E-05 -1.5502945E-03 5.9367805E-01 32 1.3317982E-01 9.6582926E-07 -4.0007811E-07 -1.9839056E-05 8.9283922E-04 4.8526651E-01 33 6.3740378E-02 -2.1631971E-07 3.7300957E-07 -1.3034189E-06 -5.2464923E-05 9.7421372E-02 2p- 3p- 4p- 5p- 1 4.3647500E+07 5.2244322E-06 -2.4265150E-06 1.0448453E-06 -2.9461716E-07 2 1.0068222E+07 1.6501864E-05 -7.6645118E-06 3.3003020E-06 -9.3061988E-07 3 2.7366605E+06 3.9980805E-05 -1.8570674E-05 7.9965679E-06 -2.2547810E-06 4 8.3320193E+05 8.8735238E-05 -4.1220880E-05 1.7750013E-05 -5.0053253E-06 5 2.7675245E+05 1.8829908E-04 -8.7495824E-05 3.7678859E-05 -1.0623810E-05 6 9.8938721E+04 3.9160455E-04 -1.8206410E-04 7.8409878E-05 -2.2113469E-05 7 3.7787188E+04 8.1979530E-04 -3.8161110E-04 1.6439581E-04 -4.6347983E-05 8 1.5379760E+04 1.7750349E-03 -8.2807963E-04 3.5686088E-04 -1.0067752E-04 9 6.6610992E+03 4.0578320E-03 -1.9005603E-03 8.1976377E-04 -2.3109396E-04 10 3.0544978E+03 9.7466238E-03 -4.5934291E-03 1.9834235E-03 -5.5991699E-04 11 1.4722820E+03 2.3724236E-02 -1.1303680E-02 4.8922251E-03 -1.3795188E-03 12 7.4029926E+02 5.5699260E-02 -2.7034887E-02 1.1741400E-02 -3.3185676E-03 13 3.8548216E+02 1.1895445E-01 -5.9545357E-02 2.6027843E-02 -7.3493687E-03 14 2.0626427E+02 2.1538147E-01 -1.1236689E-01 4.9521716E-02 -1.4036871E-02 15 1.1271415E+02 3.0217964E-01 -1.6544390E-01 7.3819988E-02 -2.0895079E-02 16 6.2663715E+01 2.8302379E-01 -1.4172543E-01 6.1318614E-02 -1.7384397E-02 17 3.5057863E+01 1.4570405E-01 5.5132756E-02 -4.3506537E-02 1.3470439E-02 18 1.9471364E+01 3.0720409E-02 3.5565412E-01 -2.2070200E-01 6.5716987E-02 19 1.0973479E+01 1.7680090E-03 4.5583079E-01 -3.2425578E-01 1.0052156E-01 20 6.1838777E+00 2.7094105E-04 2.2448576E-01 -5.8419235E-02 6.8215729E-03 21 3.4139753E+00 -1.6207237E-04 3.7432433E-02 3.9917061E-01 -1.5156835E-01 22 1.8377108E+00 -1.5840968E-05 2.3555404E-03 5.2711160E-01 -2.2431398E-01 23 9.6753360E-01 -2.9169297E-05 3.6979593E-04 2.3984822E-01 -9.1036586E-02 24 4.6323601E-01 5.6488503E-06 -8.3067347E-06 2.7851356E-02 2.5133881E-01 25 2.2272604E-01 -2.6998553E-06 -1.7337931E-05 8.1599442E-04 4.7832438E-01 26 1.0340812E-01 1.7079890E-06 -8.4128050E-06 7.7600701E-04 3.7276620E-01 27 4.6436821E-02 -2.8785255E-07 -1.7014281E-06 1.8618437E-05 8.6023395E-02 2p+ 3p+ 4p+ 5p+ 1 4.3647500E+07 1.2740401E-08 -5.9857624E-09 2.5769059E-09 -7.0882437E-10 2 1.0068222E+07 6.9696940E-08 -3.2716315E-08 1.4085424E-08 -3.8977632E-09 3 2.7366605E+06 3.4860323E-07 -1.6388941E-07 7.0567291E-08 -1.9431374E-08 4 8.3320193E+05 1.6061383E-06 -7.5498713E-07 3.2512338E-07 -8.9894295E-08 5 2.7675245E+05 7.1061553E-06 -3.3455645E-06 1.4409654E-06 -3.9705166E-07 6 9.8938721E+04 3.0370468E-05 -1.4303357E-05 6.1616920E-06 -1.7028893E-06 7 3.7787188E+04 1.2461067E-04 -5.8784064E-05 2.5329177E-05 -6.9827628E-06 8 1.5379760E+04 4.8121803E-04 -2.2726858E-04 9.7956472E-05 -2.7065436E-05 9 6.6610992E+03 1.7199685E-03 -8.1482893E-04 3.5139352E-04 -9.6907668E-05 10 3.0544978E+03 5.6343264E-03 -2.6816524E-03 1.1575911E-03 -3.1987549E-04 11 1.4722820E+03 1.6750717E-02 -8.0516477E-03 3.4822497E-03 -9.6085849E-04 12 7.4029926E+02 4.4627623E-02 -2.1825335E-02 9.4721458E-03 -2.6196740E-03 13 3.8548216E+02 1.0377541E-01 -5.2304160E-02 2.2836541E-02 -6.3105362E-03 14 2.0626427E+02 2.0049065E-01 -1.0528928E-01 4.6361253E-02 -1.2855148E-02 15 1.1271415E+02 2.9846375E-01 -1.6535450E-01 7.3741386E-02 -2.0435126E-02 16 6.2663715E+01 2.9840440E-01 -1.5912515E-01 6.9985956E-02 -1.9441603E-02 17 3.5057863E+01 1.6712950E-01 1.9501794E-02 -2.4190909E-02 7.5933559E-03 18 1.9471364E+01 3.9759473E-02 3.2703718E-01 -2.0139153E-01 5.8577231E-02 19 1.0973479E+01 2.4558319E-03 4.6851168E-01 -3.3225294E-01 1.0035176E-01 20 6.1838777E+00 4.2005645E-04 2.5461971E-01 -1.0340058E-01 2.2557672E-02 21 3.4139753E+00 -2.3948377E-04 4.8431626E-02 3.6077427E-01 -1.3322178E-01 22 1.8377108E+00 1.2815187E-05 3.1568184E-03 5.3828244E-01 -2.2004633E-01 23 9.6753360E-01 -4.9165745E-05 5.1323950E-04 2.7452870E-01 -1.1719622E-01 24 4.6323601E-01 1.3882725E-05 -3.1775528E-05 3.7401171E-02 2.1101343E-01 25 2.2272604E-01 -6.8269424E-06 -7.4564392E-06 7.8051603E-04 4.6438246E-01 26 1.0340812E-01 3.5200881E-06 -1.5459730E-05 1.1219906E-03 4.0154642E-01 27 4.6436821E-02 -7.2884461E-07 -1.0964849E-06 1.4032481E-05 1.1584084E-01 3d- 4d- 1 2.2664376E+04 1.4719220E-05 -5.8739863E-06 2 5.7189613E+03 8.5978060E-05 -3.4377507E-05 3 2.0076149E+03 4.4321545E-04 -1.7717600E-04 4 8.3471211E+02 2.0312888E-03 -8.1512215E-04 5 3.8607558E+02 8.0450450E-03 -3.2372217E-03 6 1.9218632E+02 2.6429585E-02 -1.0714438E-02 7 1.0051699E+02 7.1144574E-02 -2.9118355E-02 8 5.4543552E+01 1.5423438E-01 -6.4086477E-02 9 3.0315261E+01 2.5597812E-01 -1.0482692E-01 10 1.7055776E+01 3.1639314E-01 -1.2362233E-01 11 9.7033458E+00 2.5788818E-01 -6.2699346E-02 12 5.5000936E+00 1.1675456E-01 1.2390363E-01 13 3.0562500E+00 2.3821096E-02 3.1821896E-01 14 1.6739392E+00 1.5092881E-03 3.7099662E-01 15 9.1781788E-01 1.5357485E-04 2.4593929E-01 16 5.3193820E-01 -6.1760467E-05 9.0848246E-02 17 3.1487046E-01 2.4429992E-06 3.2725037E-02 18 1.3157014E-01 -6.7914955E-06 3.1949266E-03 3d+ 4d+ 1 2.2664376E+04 3.0387228E-06 -1.2072522E-06 2 5.7189613E+03 3.9730039E-05 -1.5850930E-05 3 2.0076149E+03 3.0090275E-04 -1.1986671E-04 4 8.3471211E+02 1.6519501E-03 -6.6079136E-04 5 3.8607558E+02 7.1453935E-03 -2.8653289E-03 6 1.9218632E+02 2.4626740E-02 -9.9492958E-03 7 1.0051699E+02 6.8129440E-02 -2.7786998E-02 8 5.4543552E+01 1.5020460E-01 -6.2224516E-02 9 3.0315261E+01 2.5264575E-01 -1.0331200E-01 10 1.7055776E+01 3.1674130E-01 -1.2400844E-01 11 9.7033458E+00 2.6260080E-01 -6.6954912E-02 12 5.5000936E+00 1.2133324E-01 1.1598944E-01 13 3.0562500E+00 2.5414560E-02 3.1197109E-01 14 1.6739392E+00 1.6438494E-03 3.7204691E-01 15 9.1781788E-01 1.7918649E-04 2.5244098E-01 16 5.3193820E-01 -6.8302569E-05 9.5507922E-02 17 3.1487046E-01 6.2724688E-06 3.5374429E-02 18 1.3157014E-01 -7.5987727E-06 3.5914234E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.6492197E+07 -4.1254016E-05 1.4254297E-05 -6.3504168E-06 2.8318715E-06 -9.4378047E-07 2 2.0354226E+07 -1.4390413E-04 4.9725708E-05 -2.2152943E-05 9.8792343E-06 -3.2925078E-06 3 6.9801128E+06 -2.8255383E-04 9.7648396E-05 -4.3504767E-05 1.9400142E-05 -6.4654849E-06 4 2.6669223E+06 -5.3132255E-04 1.8367113E-04 -8.1829944E-05 3.6493767E-05 -1.2162589E-05 5 1.1105731E+06 -9.2096982E-04 3.1847191E-04 -1.4190136E-04 6.3277998E-05 -2.1088588E-05 6 4.8718994E+05 -1.5775153E-03 5.4590056E-04 -2.4324693E-04 1.0848713E-04 -3.6156917E-05 7 2.2330104E+05 -2.6059641E-03 9.0274182E-04 -4.0234516E-04 1.7942323E-04 -5.9796397E-05 8 1.0593516E+05 -4.2331600E-03 1.4695346E-03 -6.5510956E-04 2.9221203E-04 -9.7391867E-05 9 5.1724705E+04 -6.7406147E-03 2.3481873E-03 -1.0474636E-03 4.6718136E-04 -1.5570183E-04 10 2.5788987E+04 -1.0597266E-02 3.7165429E-03 -1.6593406E-03 7.4040318E-04 -2.4678721E-04 11 1.3073998E+04 -1.6246822E-02 5.7658869E-03 -2.5792597E-03 1.1510315E-03 -3.8365606E-04 12 6.7423097E+03 -2.3902068E-02 8.6714386E-03 -3.8914437E-03 1.7382924E-03 -5.7952401E-04 13 3.5457539E+03 -3.3034161E-02 1.2458575E-02 -5.6251486E-03 2.5150737E-03 -8.3861668E-04 14 1.9022028E+03 -4.1748265E-02 1.6862305E-02 -7.6932168E-03 3.4487308E-03 -1.1505608E-03 15 1.0386890E+03 -4.5887550E-02 2.0816685E-02 -9.6774244E-03 4.3529701E-03 -1.4531128E-03 16 5.7613341E+02 -3.9931054E-02 2.1808535E-02 -1.0456110E-02 4.7381793E-03 -1.5841006E-03 17 3.2452020E+02 -2.3693710E-02 1.5940901E-02 -7.9907717E-03 3.6494425E-03 -1.2217722E-03 18 1.8605667E+02 -7.6132545E-03 2.2751977E-03 -1.0047007E-03 4.6036368E-04 -1.5451767E-04 19 1.1625598E+02 -9.2113942E-04 -1.0418627E-02 6.8398816E-03 -3.3287438E-03 1.1287325E-03 20 7.7567752E+01 -2.3404958E-04 -1.6113516E-02 1.2637721E-02 -6.3485954E-03 2.1655605E-03 21 5.0227335E+01 3.7588105E-05 -1.7657682E-02 1.7052861E-02 -9.0250445E-03 3.1084818E-03 22 3.0679129E+01 -2.0412940E-05 -9.1037541E-03 1.0279611E-02 -5.6581241E-03 1.9709922E-03 23 1.8219517E+01 1.1587754E-05 -1.7709314E-03 -4.7787286E-03 2.9597814E-03 -1.0362069E-03 24 1.1003739E+01 -5.8179110E-06 -9.3913754E-05 -1.2984283E-02 1.2008764E-02 -4.6954917E-03 25 6.7263135E+00 4.6492191E-06 -2.0546763E-05 -7.0807305E-03 9.0756417E-03 -3.6961424E-03 26 4.3618858E+00 -3.3221800E-06 7.3056028E-06 -1.5425952E-03 7.6597347E-04 -8.7435565E-05 27 2.9888651E+00 1.6704775E-06 -1.4885569E-06 -3.0869626E-04 -3.7395355E-03 1.8014947E-03 28 1.8133791E+00 -5.1673612E-07 1.4097657E-06 -3.0475681E-05 -6.0465012E-03 3.6893054E-03 29 1.0174645E+00 1.3137066E-07 -4.3796657E-08 -5.5924344E-06 -2.4024748E-03 2.4726835E-03 30 5.0000296E-01 -3.8385044E-08 4.4025075E-08 6.6887913E-08 -1.6627911E-04 -6.4774274E-04 31 2.6744553E-01 1.4918078E-08 -2.3354676E-08 5.3048491E-08 5.0674254E-06 -1.9402942E-03 32 1.3317982E-01 -4.1390932E-09 3.3845988E-09 4.4453252E-08 -2.0592733E-06 -1.1191809E-03 33 6.3740378E-02 8.0306063E-10 -1.1932521E-09 2.4017236E-09 8.3691410E-08 -1.5544061E-04 2p- 3p- 4p- 5p- 1 4.3647500E+07 -1.2216258E-06 5.6757089E-07 -2.4442223E-07 6.8882551E-08 2 1.0068222E+07 -4.1603992E-06 1.9331843E-06 -8.3243781E-07 2.3487785E-07 3 2.7366605E+06 -1.0655247E-05 4.9541457E-06 -2.1338299E-06 6.0126567E-07 4 8.3320193E+05 -2.5305014E-05 1.1771249E-05 -5.0697359E-06 1.4307963E-06 5 2.7675245E+05 -5.8570170E-05 2.7276612E-05 -1.1752395E-05 3.3112239E-06 6 9.8938721E+04 -1.3457940E-04 6.2736845E-05 -2.7031016E-05 7.6299584E-06 7 3.7787188E+04 -3.0760883E-04 1.4364983E-04 -6.1926216E-05 1.7448706E-05 8 1.5379760E+04 -6.9139397E-04 3.2347132E-04 -1.3947006E-04 3.9372169E-05 9 6.6610992E+03 -1.5068210E-03 7.0739759E-04 -3.0526858E-04 8.6029236E-05 10 3.0544978E+03 -3.1439022E-03 1.4838485E-03 -6.4088632E-04 1.8097448E-04 11 1.4722820E+03 -6.1758628E-03 2.9452647E-03 -1.2749415E-03 3.5946657E-04 12 7.4029926E+02 -1.1190701E-02 5.4348619E-03 -2.3606302E-03 6.6727440E-04 13 3.8548216E+02 -1.8056765E-02 9.0452758E-03 -3.9542648E-03 1.1165117E-03 14 2.0626427E+02 -2.4505239E-02 1.2799362E-02 -5.6419876E-03 1.5993203E-03 15 1.1271415E+02 -2.5725734E-02 1.4114109E-02 -6.2998822E-03 1.7832660E-03 16 6.2663715E+01 -1.8029662E-02 9.0696814E-03 -3.9286373E-03 1.1140687E-03 17 3.5057863E+01 -6.8723666E-03 -2.6781148E-03 2.0996503E-03 -6.4971382E-04 18 1.9471364E+01 -9.8906480E-04 -1.2807425E-02 7.9389565E-03 -2.3635773E-03 19 1.0973479E+01 2.9647598E-05 -1.2328665E-02 8.7646092E-03 -2.7169086E-03 20 6.1838777E+00 4.4902567E-05 -4.5606643E-03 1.1917772E-03 -1.4070949E-04 21 3.4139753E+00 3.7918606E-05 -5.6674732E-04 -6.0124719E-03 2.2831606E-03 22 1.8377108E+00 2.1025217E-05 -2.7299939E-05 -5.8275678E-03 2.4801155E-03 23 9.6753360E-01 1.6551015E-05 -3.9135069E-06 -1.9229368E-03 7.3019382E-04 24 4.6323601E-01 8.0857333E-06 -4.3097652E-07 -1.5361521E-04 -1.3958197E-03 25 2.2272604E-01 7.0551365E-06 -3.4247131E-07 -2.2321853E-06 -1.8418933E-03 26 1.0340812E-01 1.2094464E-06 -4.9495535E-08 -1.8774154E-06 -9.7802136E-04 27 4.6436821E-02 3.8638126E-06 -2.2215874E-07 4.6732816E-07 -1.5132626E-04 2p+ 3p+ 4p+ 5p+ 1 4.3647500E+07 -3.7487512E-08 1.7646448E-08 -7.5963389E-09 2.0669154E-09 2 1.0068222E+07 -2.1225209E-07 9.9428015E-08 -4.2801601E-08 1.1922116E-08 3 2.7366605E+06 -9.5606462E-07 4.4932963E-07 -1.9342659E-07 5.3046446E-08 4 8.3320193E+05 -3.8104655E-06 1.7870454E-06 -7.6929420E-07 2.1318361E-07 5 2.7675245E+05 -1.3775645E-05 6.4707908E-06 -2.7856260E-06 7.6651640E-07 6 9.8938721E+04 -4.5630412E-05 2.1417106E-05 -9.2203643E-06 2.5497250E-06 7 3.7787188E+04 -1.3907722E-04 6.5362606E-05 -2.8142566E-05 7.7544800E-06 8 1.5379760E+04 -3.8842729E-04 1.8266427E-04 -7.8666724E-05 2.1737324E-05 9 6.6610992E+03 -9.9298423E-04 4.6836844E-04 -2.0180921E-04 5.5640797E-05 10 3.0544978E+03 -2.3260229E-03 1.1021825E-03 -4.7537406E-04 1.3135043E-04 11 1.4722820E+03 -4.9737735E-03 2.3805840E-03 -1.0287213E-03 2.8380575E-04 12 7.4029926E+02 -9.6126715E-03 4.6820082E-03 -2.0303996E-03 5.6148308E-04 13 3.8548216E+02 -1.6364320E-02 8.2172050E-03 -3.5851809E-03 9.9058399E-04 14 2.0626427E+02 -2.3328422E-02 1.2210984E-02 -5.3735504E-03 1.4898611E-03 15 1.1271415E+02 -2.5808170E-02 1.4258472E-02 -6.3556237E-03 1.7611193E-03 16 6.2663715E+01 -1.9300818E-02 1.0274209E-02 -4.5186336E-03 1.2552512E-03 17 3.5057863E+01 -8.0973276E-03 -9.2206544E-04 1.1555761E-03 -3.6298407E-04 18 1.9471364E+01 -1.4366207E-03 -1.1761644E-02 7.2386181E-03 -2.1052326E-03 19 1.0973479E+01 -6.6482402E-05 -1.2665014E-02 8.9770545E-03 -2.7112248E-03 20 6.1838777E+00 -8.6024387E-06 -5.1691507E-03 2.0999823E-03 -4.5847037E-04 21 3.4139753E+00 3.6537706E-06 -7.3060413E-04 -5.4376952E-03 2.0077863E-03 22 1.8377108E+00 -1.6197698E-07 -3.4935931E-05 -5.9536764E-03 2.4336093E-03 23 9.6753360E-01 4.0469337E-07 -4.1189012E-06 -2.2033737E-03 9.4056840E-04 24 4.6323601E-01 -8.1660387E-08 1.7618249E-07 -2.0770171E-04 -1.1717093E-03 25 2.2272604E-01 2.8519224E-08 2.8894566E-08 -3.0082417E-06 -1.7880552E-03 26 1.0340812E-01 -1.0187150E-08 4.0486414E-08 -2.9424713E-06 -1.0535015E-03 27 4.6436821E-02 1.5596367E-09 1.9507564E-09 -2.5052655E-08 -2.0366486E-04 3d- 4d- 1 2.2664376E+04 -5.2486642E-06 2.0928279E-06 2 5.7189613E+03 -3.2732911E-05 1.3100564E-05 3 2.0076149E+03 -1.4189153E-04 5.6716242E-05 4 8.3471211E+02 -4.9197916E-04 1.9745493E-04 5 3.8607558E+02 -1.4250016E-03 5.7338711E-04 6 1.9218632E+02 -3.4191011E-03 1.3861475E-03 7 1.0051699E+02 -6.7683997E-03 2.7702192E-03 8 5.4543552E+01 -1.0897798E-02 4.5287558E-03 9 3.0315261E+01 -1.3540582E-02 5.5465012E-03 10 1.7055776E+01 -1.2580202E-02 4.9170884E-03 11 9.7033458E+00 -7.7403149E-03 1.8837102E-03 12 5.5000936E+00 -2.6359038E-03 -2.8029666E-03 13 3.0562500E+00 -3.9803409E-04 -5.3686829E-03 14 1.6739392E+00 -1.6793203E-05 -4.6328712E-03 15 9.1781788E-01 -5.6013730E-07 -2.2742505E-03 16 5.3193820E-01 9.0034730E-07 -6.3947128E-04 17 3.1487046E-01 1.9607402E-07 -1.7719162E-04 18 1.3157014E-01 2.1161901E-07 -1.1112498E-05 3d+ 4d+ 1 2.2664376E+04 -3.3247519E-06 1.3192939E-06 2 5.7189613E+03 -2.5167134E-05 1.0035631E-05 3 2.0076149E+03 -1.2056812E-04 4.7991929E-05 4 8.3471211E+02 -4.4150168E-04 1.7648987E-04 5 3.8607558E+02 -1.3236459E-03 5.3044483E-04 6 1.9218632E+02 -3.2531364E-03 1.3135487E-03 7 1.0051699E+02 -6.5485405E-03 2.6694755E-03 8 5.4543552E+01 -1.0674197E-02 4.4199851E-03 9 3.0315261E+01 -1.3409769E-02 5.4815429E-03 10 1.7055776E+01 -1.2622267E-02 4.9404707E-03 11 9.7033458E+00 -7.8981070E-03 2.0143158E-03 12 5.5000936E+00 -2.7480678E-03 -2.6244266E-03 13 3.0562500E+00 -4.2914655E-04 -5.2642129E-03 14 1.6739392E+00 -2.0522538E-05 -4.6466898E-03 15 9.1781788E-01 -1.6699888E-06 -2.3347129E-03 16 5.3193820E-01 4.8866351E-07 -6.7246820E-04 17 3.1487046E-01 -3.6997567E-08 -1.9162681E-04 18 1.3157014E-01 2.7127208E-08 -1.2576110E-05 ** I 127 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.7536542E+07 2.5724092E-05 -8.9372928E-06 3.9991043E-06 -1.8040181E-06 6.2398476E-07 2 2.0605227E+07 6.3461973E-05 -2.2092911E-05 9.8885971E-06 -4.4610974E-06 1.5430467E-06 3 7.0496680E+06 1.3359122E-04 -4.6605842E-05 2.0866967E-05 -9.4143612E-06 3.2563836E-06 4 2.6847677E+06 2.6009248E-04 -9.1032895E-05 4.0777066E-05 -1.8399073E-05 6.3642387E-06 5 1.1129577E+06 5.0494841E-04 -1.7737115E-04 7.9493959E-05 -3.5871795E-05 1.2408437E-05 6 4.8541403E+05 9.7689849E-04 -3.4473853E-04 1.5460327E-04 -6.9776654E-05 2.4136840E-05 7 2.2082655E+05 1.9083138E-03 -6.7680512E-04 3.0375249E-04 -1.3710731E-04 4.7429852E-05 8 1.0378765E+05 3.7538721E-03 -1.3393569E-03 6.0160091E-04 -2.7161234E-04 9.3960650E-05 9 5.0202359E+04 7.4264844E-03 -2.6682594E-03 1.1997905E-03 -5.4176580E-04 1.8743026E-04 10 2.4901714E+04 1.4657352E-02 -5.3172207E-03 2.3941247E-03 -1.0814758E-03 3.7415732E-04 11 1.2646252E+04 2.8540334E-02 -1.0501638E-02 4.7389026E-03 -2.1414094E-03 7.4096244E-04 12 6.5646460E+03 5.4001822E-02 -2.0349415E-02 9.2147684E-03 -4.1676193E-03 1.4421981E-03 13 3.4777873E+03 9.7033835E-02 -3.8069758E-02 1.7347833E-02 -7.8550512E-03 2.7191324E-03 14 1.8783840E+03 1.5954357E-01 -6.7153672E-02 3.0930608E-02 -1.4040490E-02 4.8620767E-03 15 1.0342444E+03 2.2627086E-01 -1.0711885E-01 5.0288645E-02 -2.2912952E-02 7.9419678E-03 16 5.8126033E+02 2.5170203E-01 -1.4305269E-01 6.9234115E-02 -3.1770126E-02 1.1023898E-02 17 3.3467185E+02 1.9129363E-01 -1.3148846E-01 6.6348294E-02 -3.0683448E-02 1.0672479E-02 18 2.0023231E+02 8.1456887E-02 -3.0632962E-02 1.4118663E-02 -6.5316113E-03 2.2502893E-03 19 1.3363760E+02 1.8438738E-02 1.0266436E-01 -6.6551505E-02 3.2605508E-02 -1.1419745E-02 20 8.8642082E+01 5.0132840E-03 2.8895876E-01 -2.1924179E-01 1.1079755E-01 -3.9277723E-02 21 5.5489724E+01 -1.4146528E-04 4.1304646E-01 -3.9227614E-01 2.0913948E-01 -7.4684112E-02 22 3.3718898E+01 2.5773927E-04 2.7963527E-01 -3.1904293E-01 1.7739882E-01 -6.4238290E-02 23 2.0294880E+01 -2.0454000E-04 7.8373567E-02 1.0521593E-01 -6.3156552E-02 2.2524331E-02 24 1.2576413E+01 8.8122392E-05 7.3211152E-03 5.5122417E-01 -4.8669997E-01 1.9575493E-01 25 7.9259000E+00 -9.3874748E-05 1.2878927E-03 4.8711371E-01 -6.0427112E-01 2.5679223E-01 26 4.9928561E+00 5.5902015E-05 -2.2164028E-04 1.9008472E-01 -1.6861557E-01 5.5829741E-02 27 3.0482607E+00 -2.6888450E-05 -7.5240142E-05 2.8658299E-02 4.4253889E-01 -2.2706235E-01 28 1.8314611E+00 1.6992432E-05 -9.8895233E-05 3.0845360E-03 6.8936874E-01 -4.6842089E-01 29 1.0586577E+00 -6.4301492E-06 -7.0854778E-06 5.8743130E-04 3.2398852E-01 -3.6947886E-01 30 5.5942026E-01 2.6961470E-06 -1.1768793E-06 2.5847097E-05 3.3410224E-02 1.8802434E-01 31 2.9653867E-01 -1.2660402E-06 3.6107757E-06 -6.0829492E-05 3.3317623E-04 6.0921330E-01 32 1.5000804E-01 3.7542019E-07 5.8592392E-07 -1.2286625E-05 5.8982537E-04 4.7017127E-01 33 7.2609908E-02 -9.0668104E-08 2.4987148E-07 -4.5673793E-06 3.1844088E-05 9.1145934E-02 2p- 3p- 4p- 5p- 1 4.4437221E+07 5.6176883E-06 -2.6225783E-06 1.1459511E-06 -3.4310633E-07 2 1.0316962E+07 1.7591288E-05 -8.2125248E-06 3.5884992E-06 -1.0744500E-06 3 2.8276690E+06 4.2305363E-05 -1.9751464E-05 8.6306802E-06 -2.5840653E-06 4 8.6513173E+05 9.3803260E-05 -4.3799435E-05 1.9138844E-05 -5.7306239E-06 5 2.8739819E+05 1.9911644E-04 -9.2998534E-05 4.0640618E-05 -1.2167613E-05 6 1.0268966E+05 4.1291261E-04 -1.9296158E-04 8.4329541E-05 -2.5252929E-05 7 3.9211761E+04 8.6088338E-04 -4.0280919E-04 1.7609875E-04 -5.2719653E-05 8 1.5955056E+04 1.8536856E-03 -8.6928806E-04 3.8014396E-04 -1.1387130E-04 9 6.9078934E+03 4.2060608E-03 -1.9803670E-03 8.6690953E-04 -2.5952327E-04 10 3.1680314E+03 1.0017325E-02 -4.7464961E-03 2.0797740E-03 -6.2337428E-04 11 1.5274574E+03 2.4212137E-02 -1.1599463E-02 5.0956902E-03 -1.5260169E-03 12 7.6826049E+02 5.6513216E-02 -2.7585518E-02 1.2158557E-02 -3.6488255E-03 13 4.0029857E+02 1.1998744E-01 -6.0406505E-02 2.6807312E-02 -8.0400330E-03 14 2.1442158E+02 2.1616801E-01 -1.1343321E-01 5.0742878E-02 -1.5273236E-02 15 1.1729112E+02 3.0215007E-01 -1.6629327E-01 7.5359740E-02 -2.2664430E-02 16 6.5249304E+01 2.8183954E-01 -1.4097488E-01 6.1703271E-02 -1.8554167E-02 17 3.6524103E+01 1.4424427E-01 5.8644370E-02 -4.6334218E-02 1.5233697E-02 18 2.0313426E+01 3.0094810E-02 3.6000736E-01 -2.2855301E-01 7.2618658E-02 19 1.1480568E+01 1.7149216E-03 4.5379470E-01 -3.2904984E-01 1.0869575E-01 20 6.4884393E+00 2.4252872E-04 2.2029138E-01 -5.0297415E-02 3.5560208E-03 21 3.6011336E+00 -1.5873449E-04 3.6439163E-02 4.0823249E-01 -1.6647445E-01 22 1.9589803E+00 -1.9264575E-05 2.3519589E-03 5.2504498E-01 -2.4436735E-01 23 1.0466017E+00 -2.7116625E-05 3.2793341E-04 2.3080296E-01 -8.7244953E-02 24 5.1503900E-01 5.2968038E-06 -7.4436521E-06 2.7098792E-02 2.7923565E-01 25 2.5018062E-01 -2.0017432E-06 -2.7704134E-05 1.2777532E-03 4.8618061E-01 26 1.1740677E-01 1.6530792E-06 -9.2576533E-06 7.9859884E-04 3.5302372E-01 27 5.3158403E-02 -1.9898443E-07 -2.7519578E-06 5.3142435E-05 7.5610353E-02 2p+ 3p+ 4p+ 5p+ 1 4.4437221E+07 1.3666682E-08 -6.4575104E-09 2.8242447E-09 -8.2453913E-10 2 1.0316962E+07 7.3748965E-08 -3.4818887E-08 1.5213927E-08 -4.4662085E-09 3 2.8276690E+06 3.6334934E-07 -1.7179969E-07 7.5137678E-08 -2.1957448E-08 4 8.6513173E+05 1.6628842E-06 -7.8619871E-07 3.4366023E-07 -1.0080712E-07 5 2.8739819E+05 7.3287169E-06 -3.4702635E-06 1.5180567E-06 -4.4390864E-07 6 1.0268966E+05 3.1164038E-05 -1.4763130E-05 6.4561504E-06 -1.8930357E-06 7 3.9211761E+04 1.2722260E-04 -6.0367853E-05 2.6417256E-05 -7.7284000E-06 8 1.5955056E+04 4.8964949E-04 -2.3262320E-04 1.0179191E-04 -2.9840922E-05 9 6.9078934E+03 1.7447533E-03 -8.3148502E-04 3.6416515E-04 -1.0657425E-04 10 3.1680314E+03 5.6972804E-03 -2.7279397E-03 1.1955859E-03 -3.5054113E-04 11 1.5274574E+03 1.6899029E-02 -8.1721455E-03 3.5896350E-03 -1.0511094E-03 12 7.6826049E+02 4.4931323E-02 -2.2109473E-02 9.7432898E-03 -2.8593257E-03 13 4.0029857E+02 1.0417456E-01 -5.2831935E-02 2.3432056E-02 -6.8720484E-03 14 2.1442158E+02 2.0074545E-01 -1.0608895E-01 4.7442224E-02 -1.3960587E-02 15 1.1729112E+02 2.9843348E-01 -1.6636090E-01 7.5397936E-02 -2.2180885E-02 16 6.5249304E+01 2.9796800E-01 -1.5941962E-01 7.1100642E-02 -2.0952831E-02 17 3.6524103E+01 1.6650113E-01 2.1258069E-02 -2.5719557E-02 8.5732804E-03 18 2.0313426E+01 3.9405438E-02 3.3053069E-01 -2.0829559E-01 6.4558769E-02 19 1.1480568E+01 2.4095352E-03 4.6767380E-01 -3.3865090E-01 1.0899105E-01 20 6.4884393E+00 3.9721115E-04 2.5143392E-01 -9.8245656E-02 2.1518925E-02 21 3.6011336E+00 -2.4248077E-04 4.7696300E-02 3.6874371E-01 -1.4584553E-01 22 1.9589803E+00 1.2911560E-05 3.1651855E-03 5.3832366E-01 -2.4051986E-01 23 1.0466017E+00 -4.9558260E-05 4.7602141E-04 2.6623110E-01 -1.1746310E-01 24 5.1503900E-01 1.4755900E-05 -3.5311605E-05 3.6655216E-02 2.3609488E-01 25 2.5018062E-01 -6.5642266E-06 -1.7623302E-05 1.4514413E-03 4.7383555E-01 26 1.1740677E-01 3.6577570E-06 -1.7383532E-05 1.1246965E-03 3.8523137E-01 27 5.3158403E-02 -6.5641243E-07 -2.4636145E-06 7.8898580E-05 1.0538013E-01 3d- 4d- 1 2.4531944E+04 1.4674533E-05 -6.0310786E-06 2 6.1561227E+03 8.4937764E-05 -3.4976128E-05 3 2.1509140E+03 4.3419898E-04 -1.7875999E-04 4 8.9178828E+02 1.9801933E-03 -8.1840985E-04 5 4.1184308E+02 7.8350490E-03 -3.2471533E-03 6 2.0485293E+02 2.5806869E-02 -1.0776667E-02 7 1.0711474E+02 6.9772267E-02 -2.9415921E-02 8 5.8128222E+01 1.5215117E-01 -6.5153145E-02 9 3.2329802E+01 2.5426050E-01 -1.0740205E-01 10 1.8214413E+01 3.1635633E-01 -1.2761276E-01 11 1.0385388E+01 2.5963700E-01 -6.5681501E-02 12 5.9043953E+00 1.1882534E-01 1.2549663E-01 13 3.2932275E+00 2.4603682E-02 3.2459311E-01 14 1.8147700E+00 1.5170482E-03 3.7502733E-01 15 1.0037929E+00 1.6580429E-04 2.3676892E-01 16 6.0503310E-01 -8.3275951E-05 7.9099301E-02 17 3.7251689E-01 2.8674393E-06 3.5565389E-02 18 1.5580080E-01 -8.9045663E-06 3.5351417E-03 3d+ 4d+ 1 2.4531944E+04 2.8774763E-06 -1.1780078E-06 2 6.1561227E+03 3.7862014E-05 -1.5567828E-05 3 2.1509140E+03 2.8875200E-04 -1.1853694E-04 4 8.9178828E+02 1.5920404E-03 -6.5630899E-04 5 4.1184308E+02 6.9130018E-03 -2.8569064E-03 6 2.0485293E+02 2.3951650E-02 -9.9737207E-03 7 1.0711474E+02 6.6656790E-02 -2.8021339E-02 8 5.8128222E+01 1.4796409E-01 -6.3208899E-02 9 3.2329802E+01 2.5075613E-01 -1.0583922E-01 10 1.8214413E+01 3.1664559E-01 -1.2808789E-01 11 1.0385388E+01 2.6448622E-01 -7.0250929E-02 12 5.9043953E+00 1.2360867E-01 1.1719724E-01 13 3.2932275E+00 2.6299933E-02 3.1829227E-01 14 1.8147700E+00 1.6604584E-03 3.7663262E-01 15 1.0037929E+00 1.9646659E-04 2.4347614E-01 16 6.0503310E-01 -9.2771112E-05 8.3172317E-02 17 3.7251689E-01 8.1616394E-06 3.8286295E-02 18 1.5580080E-01 -9.9450883E-06 3.9617846E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.7536542E+07 -4.3625788E-05 1.5132390E-05 -6.7696371E-06 3.0536442E-06 -1.0562068E-06 2 2.0605227E+07 -1.5213945E-04 5.2775814E-05 -2.3609594E-05 1.0650054E-05 -3.6836477E-06 3 7.0496680E+06 -2.9933364E-04 1.0385047E-04 -4.6460283E-05 2.0957280E-05 -7.2488198E-06 4 2.6847677E+06 -5.6402682E-04 1.9573826E-04 -8.7569399E-05 3.9502594E-05 -1.3663155E-05 5 1.1129577E+06 -9.8164277E-04 3.4078591E-04 -1.5247545E-04 6.8779196E-05 -2.3789938E-05 6 4.8541403E+05 -1.6892257E-03 5.8687245E-04 -2.6259579E-04 1.1846243E-04 -4.0973860E-05 7 2.2082655E+05 -2.8101052E-03 9.7738297E-04 -4.3743049E-04 1.9732748E-04 -6.8254456E-05 8 1.0378765E+05 -4.5986829E-03 1.6030710E-03 -7.1765029E-04 3.2378503E-04 -1.1199281E-04 9 5.0202359E+04 -7.3415915E-03 2.5689184E-03 -1.1507859E-03 5.1922057E-04 -1.7960327E-04 10 2.4901714E+04 -1.1453516E-02 4.0367234E-03 -1.8101200E-03 8.1697661E-04 -2.8259918E-04 11 1.2646252E+04 -1.7308980E-02 6.1782142E-03 -2.7760430E-03 1.2532993E-03 -4.3358638E-04 12 6.5646460E+03 -2.5125200E-02 9.1786548E-03 -4.1383602E-03 1.8700045E-03 -6.4699386E-04 13 3.4777873E+03 -3.4354200E-02 1.3069376E-02 -5.9303991E-03 2.6828832E-03 -9.2855592E-04 14 1.8783840E+03 -4.2822306E-02 1.7492410E-02 -8.0245783E-03 3.6396237E-03 -1.2601535E-03 15 1.0342444E+03 -4.6018589E-02 2.1171497E-02 -9.9029978E-03 4.5086553E-03 -1.5625340E-03 16 5.8126033E+02 -3.8910184E-02 2.1535985E-02 -1.0391028E-02 4.7652831E-03 -1.6532994E-03 17 3.3467185E+02 -2.2623342E-02 1.5213520E-02 -7.6643358E-03 3.5433091E-03 -1.2323682E-03 18 2.0023231E+02 -7.4888961E-03 2.8542608E-03 -1.3388663E-03 6.2141470E-04 -2.1436432E-04 19 1.3363760E+02 -1.3846101E-03 -7.4175350E-03 4.7795826E-03 -2.3392215E-03 8.1908627E-04 20 8.8642082E+01 -3.0921969E-04 -1.7161877E-02 1.2962784E-02 -6.5451029E-03 2.3198392E-03 21 5.5489724E+01 8.4284184E-06 -1.9488382E-02 1.8439427E-02 -9.8255253E-03 3.5083850E-03 22 3.3718898E+01 -1.0611674E-05 -1.0299051E-02 1.1721008E-02 -6.5161575E-03 2.3594515E-03 23 2.0294880E+01 6.6507769E-06 -2.2418084E-03 -2.9765033E-03 1.7819054E-03 -6.3495251E-04 24 1.2576413E+01 -2.5913456E-06 -1.6416763E-04 -1.2354081E-02 1.0897824E-02 -4.3824426E-03 25 7.9259000E+00 2.1220765E-06 -2.3400144E-05 -8.6728914E-03 1.0751593E-02 -4.5687701E-03 26 4.9928561E+00 -1.0763802E-06 3.4150735E-06 -2.6867782E-03 2.3834019E-03 -7.8966574E-04 27 3.0482607E+00 4.5499987E-07 6.7926926E-07 -3.1645142E-04 -4.8821555E-03 2.5045662E-03 28 1.8314611E+00 -2.2632104E-07 9.2592498E-07 -2.6423606E-05 -5.8964957E-03 4.0059988E-03 29 1.0586577E+00 7.7704141E-08 1.0824145E-08 -3.8080348E-06 -2.1070681E-03 2.4026019E-03 30 5.5942026E-01 -2.7785752E-08 2.0439811E-08 -1.2785473E-07 -1.5795110E-04 -8.8869695E-04 31 2.9653867E-01 1.1055517E-08 -1.9127824E-08 2.1204314E-07 -1.1465142E-06 -2.0965701E-03 32 1.5000804E-01 -3.3654189E-09 1.0183440E-09 2.9123867E-08 -1.4438472E-06 -1.1508410E-03 33 7.2609908E-02 7.3371072E-10 -1.0098163E-09 8.0083199E-09 -5.4229695E-08 -1.5521687E-04 2p- 3p- 4p- 5p- 1 4.4437221E+07 -1.3349585E-06 6.2340778E-07 -2.7245468E-07 8.1538536E-08 2 1.0316962E+07 -4.5064959E-06 2.1048195E-06 -9.1965690E-07 2.7550225E-07 3 2.8276690E+06 -1.1433197E-05 5.3431601E-06 -2.3356225E-06 6.9890934E-07 4 8.6513173E+05 -2.7066201E-05 1.2655817E-05 -5.5306553E-06 1.6571561E-06 5 2.8739819E+05 -6.2450047E-05 2.9233774E-05 -1.2783435E-05 3.8250437E-06 6 1.0268966E+05 -1.4268166E-04 6.6863017E-05 -2.9231516E-05 8.7599758E-06 7 3.9211761E+04 -3.2412028E-04 1.5215587E-04 -6.6573005E-05 1.9921192E-05 8 1.5955056E+04 -7.2473351E-04 3.4088628E-04 -1.4913959E-04 4.4699385E-05 9 6.9078934E+03 -1.5714522E-03 7.4171155E-04 -3.2487148E-04 9.7231312E-05 10 3.1680314E+03 -3.2625543E-03 1.5483217E-03 -6.7859584E-04 2.0345115E-04 11 1.5274574E+03 -6.3845728E-03 3.0617122E-03 -1.3453186E-03 4.0284534E-04 12 7.6826049E+02 -1.1528890E-02 5.6311395E-03 -2.4822184E-03 7.4499507E-04 13 4.0029857E+02 -1.8525120E-02 9.3334994E-03 -4.1426246E-03 1.2424228E-03 14 2.1442158E+02 -2.5048714E-02 1.3160180E-02 -5.8882589E-03 1.7724403E-03 15 1.1729112E+02 -2.6222106E-02 1.4463413E-02 -6.5569911E-03 1.9720951E-03 16 6.5249304E+01 -1.8309582E-02 9.2025508E-03 -4.0329098E-03 1.2130116E-03 17 3.6524103E+01 -6.9355560E-03 -2.9066580E-03 2.2818518E-03 -7.4977199E-04 18 2.0313426E+01 -9.8257787E-04 -1.3241439E-02 8.3967240E-03 -2.6674726E-03 19 1.1480568E+01 3.4877177E-05 -1.2554486E-02 9.0975712E-03 -3.0050167E-03 20 6.4884393E+00 4.8476672E-05 -4.5846217E-03 1.0525057E-03 -7.6643876E-05 21 3.6011336E+00 4.0207420E-05 -5.6674137E-04 -6.3150696E-03 2.5754498E-03 22 1.9589803E+00 2.2145238E-05 -2.8135424E-05 -5.9931054E-03 2.7895304E-03 23 1.0466017E+00 1.7810301E-05 -3.7328478E-06 -1.9243564E-03 7.2777347E-04 24 5.1503900E-01 8.4602447E-06 -4.4276086E-07 -1.5755296E-04 -1.6351427E-03 25 2.5018062E-01 8.1161004E-06 -3.4690925E-07 -4.1427659E-06 -1.9842018E-03 26 1.1740677E-01 1.1595902E-06 -4.0989004E-08 -2.0765657E-06 -9.8692834E-04 27 5.3158403E-02 4.4625533E-06 -2.4858441E-07 4.9130733E-07 -1.4233340E-04 2p+ 3p+ 4p+ 5p+ 1 4.4437221E+07 -3.9466496E-08 1.8680820E-08 -8.1843172E-09 2.3656042E-09 2 1.0316962E+07 -2.2154436E-07 1.0438960E-07 -4.5555357E-08 1.3455223E-08 3 2.8276690E+06 -9.8494602E-07 4.6552478E-07 -2.0369051E-07 5.9298364E-08 4 8.6513173E+05 -3.9202017E-06 1.8491694E-06 -8.0769099E-07 2.3742193E-07 5 2.8739819E+05 -1.4183377E-05 6.7002973E-06 -2.9301393E-06 8.5571972E-07 6 1.0268966E+05 -4.6974045E-05 2.2175126E-05 -9.6899784E-06 2.8427940E-06 7 3.9211761E+04 -1.4305763E-04 6.7618635E-05 -2.9568844E-05 8.6461539E-06 8 1.5955056E+04 -3.9954790E-04 1.8898069E-04 -8.2620471E-05 2.4221987E-05 9 6.9078934E+03 -1.0207410E-03 4.8424044E-04 -2.1189477E-04 6.1995259E-05 10 3.1680314E+03 -2.3878080E-03 1.1380665E-03 -4.9833016E-04 1.4609601E-04 11 1.5274574E+03 -5.1010866E-03 2.4558682E-03 -1.0778074E-03 3.1554216E-04 12 7.6826049E+02 -9.8480986E-03 4.8254360E-03 -2.1247334E-03 6.2346601E-04 13 4.0029857E+02 -1.6729940E-02 8.4516940E-03 -3.7457093E-03 1.0983714E-03 14 2.1442158E+02 -2.3808952E-02 1.2539411E-02 -5.6039702E-03 1.6488936E-03 15 1.1729112E+02 -2.6322746E-02 1.4631012E-02 -6.6276772E-03 1.9495841E-03 16 6.5249304E+01 -1.9667606E-02 1.0503535E-02 -4.6844383E-03 1.3804811E-03 17 3.6524103E+01 -8.2349507E-03 -1.0265085E-03 1.2537660E-03 -4.1821699E-04 18 2.0313426E+01 -1.4545565E-03 -1.2141096E-02 7.6463652E-03 -2.3696407E-03 19 1.1480568E+01 -6.6717570E-05 -1.2931499E-02 9.3589460E-03 -3.0118928E-03 20 6.4884393E+00 -8.3447731E-06 -5.2288483E-03 2.0441423E-03 -4.4818192E-04 21 3.6011336E+00 3.8047602E-06 -7.3901304E-04 -5.7080610E-03 2.2574378E-03 22 1.9589803E+00 -1.7194924E-07 -3.6161290E-05 -6.1474877E-03 2.7463919E-03 23 1.0466017E+00 4.2622929E-07 -3.9761536E-06 -2.2224042E-03 9.8049138E-04 24 5.1503900E-01 -9.2158309E-08 2.0790782E-07 -2.1464080E-04 -1.3823419E-03 25 2.5018062E-01 2.9533603E-08 7.1415053E-08 -5.9267637E-06 -1.9336342E-03 26 1.1740677E-01 -1.1381346E-08 4.8821773E-08 -3.1427448E-06 -1.0769383E-03 27 5.3158403E-02 1.5681031E-09 4.5692294E-09 -1.4885250E-07 -1.9822947E-04 3d- 4d- 1 2.4531944E+04 -5.2087792E-06 2.1389175E-06 2 6.1561227E+03 -3.2544051E-05 1.3415063E-05 3 2.1509140E+03 -1.4150337E-04 5.8251930E-05 4 8.9178828E+02 -4.9155116E-04 2.0319397E-04 5 4.1184308E+02 -1.4272334E-03 5.9148571E-04 6 2.0485293E+02 -3.4392292E-03 1.4362522E-03 7 1.0711474E+02 -6.8444779E-03 2.8856447E-03 8 5.8128222E+01 -1.1091657E-02 4.7502175E-03 9 3.2329802E+01 -1.3885031E-02 5.8667609E-03 10 1.8214413E+01 -1.2996757E-02 5.2446105E-03 11 1.0385388E+01 -8.0611908E-03 2.0413983E-03 12 5.9043953E+00 -2.7791624E-03 -2.9412830E-03 13 3.2932275E+00 -4.2664062E-04 -5.6844297E-03 14 1.8147700E+00 -1.7425821E-05 -4.8761624E-03 15 1.0037929E+00 -6.8427503E-07 -2.2896858E-03 16 6.0503310E-01 1.1554703E-06 -5.9375179E-04 17 3.7251689E-01 2.2559718E-07 -2.0945865E-04 18 1.5580080E-01 2.7169116E-07 -1.3372487E-05 3d+ 4d+ 1 2.4531944E+04 -3.2262010E-06 1.3190585E-06 2 6.1561227E+03 -2.4685628E-05 1.0144529E-05 3 2.1509140E+03 -1.1922838E-04 4.8904399E-05 4 8.9178828E+02 -4.3868002E-04 1.8071859E-04 5 4.1184308E+02 -1.3206901E-03 5.4541835E-04 6 2.0485293E+02 -3.2638057E-03 1.3582724E-03 7 1.0711474E+02 -6.6107776E-03 2.7775059E-03 8 5.8128222E+01 -1.0852377E-02 4.6338242E-03 9 3.2329802E+01 -1.3743059E-02 5.7984132E-03 10 1.8214413E+01 -1.3039480E-02 5.2731629E-03 11 1.0385388E+01 -8.2296973E-03 2.1865265E-03 12 5.9043953E+00 -2.9007485E-03 -2.7473306E-03 13 3.2932275E+00 -4.6101427E-04 -5.5751380E-03 14 1.8147700E+00 -2.1581189E-05 -4.8978553E-03 15 1.0037929E+00 -1.9178482E-06 -2.3549248E-03 16 6.0503310E-01 7.0812903E-07 -6.2455976E-04 17 3.7251689E-01 -5.2505837E-08 -2.2559008E-04 18 1.5580080E-01 3.8563596E-08 -1.5096617E-05 ** Xe 132 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.5931970E+07 2.8256872E-05 -9.8559749E-06 4.4278474E-06 -2.0192357E-06 7.2050631E-07 2 2.0191847E+07 6.9570447E-05 -2.4316492E-05 1.0927630E-05 -4.9836736E-06 1.7782961E-06 3 6.9130961E+06 1.4613051E-04 -5.1188607E-05 2.3011088E-05 -1.0495139E-05 3.7450017E-06 4 2.6338037E+06 2.8381969E-04 -9.9753456E-05 4.4864642E-05 -2.0464608E-05 7.3024937E-06 5 1.0927593E+06 5.4889087E-04 -1.9364125E-04 8.7138150E-05 -3.9751413E-05 1.4185294E-05 6 4.7735047E+05 1.0572668E-03 -3.7477093E-04 1.6876331E-04 -7.7000373E-05 2.7477701E-05 7 2.1743573E+05 2.0599979E-03 -7.3403674E-04 3.3079182E-04 -1.5094871E-04 5.3869917E-05 8 1.0220067E+05 4.0470842E-03 -1.4510891E-03 6.5452577E-04 -2.9874255E-04 1.0661320E-04 9 4.9400888E+04 7.9928365E-03 -2.8869855E-03 1.3035824E-03 -5.9510239E-04 2.1239840E-04 10 2.4488416E+04 1.5730494E-02 -5.7392328E-03 2.5953812E-03 -1.1852561E-03 4.2302683E-04 11 1.2433235E+04 3.0505906E-02 -1.1298184E-02 5.1206500E-03 -2.3394802E-03 8.3513611E-04 12 6.4552801E+03 5.7387127E-02 -2.1790460E-02 9.9137263E-03 -4.5332895E-03 1.6183539E-03 13 3.4223475E+03 1.0219724E-01 -4.0485923E-02 1.8539230E-02 -8.4885605E-03 3.0316613E-03 14 1.8515400E+03 1.6560751E-01 -7.0595572E-02 3.2701001E-02 -1.5011481E-02 5.3629497E-03 15 1.0228993E+03 2.2958450E-01 -1.1055111E-01 5.2224731E-02 -2.4071612E-02 8.6096738E-03 16 5.7797994E+02 2.4779227E-01 -1.4350109E-01 6.9980261E-02 -3.2487801E-02 1.1630305E-02 17 3.3491389E+02 1.8217991E-01 -1.2598609E-01 6.3922647E-02 -2.9921543E-02 1.0745598E-02 18 2.0113053E+02 7.5617015E-02 -1.8369856E-02 7.3218378E-03 -3.2972198E-03 1.1392964E-03 19 1.3225364E+02 1.6199397E-02 1.2422601E-01 -8.2759577E-02 4.1067747E-02 -1.4832643E-02 20 8.8031447E+01 3.7100195E-03 3.0048109E-01 -2.3390601E-01 1.2054668E-01 -4.4232796E-02 21 5.5587293E+01 -6.1510230E-05 4.0385626E-01 -3.9492919E-01 2.1382795E-01 -7.8838149E-02 22 3.3923181E+01 1.6929664E-04 2.6229691E-01 -2.9604985E-01 1.6826140E-01 -6.3260274E-02 23 2.0308052E+01 -1.5390253E-04 6.8704763E-02 1.4966135E-01 -9.5435639E-02 3.6070421E-02 24 1.2692152E+01 5.2319681E-05 4.8337102E-03 5.7398886E-01 -5.3568495E-01 2.2517846E-01 25 7.9547408E+00 -6.4093637E-05 1.5993525E-03 4.6694936E-01 -5.9863078E-01 2.6329028E-01 26 4.9988648E+00 3.9841753E-05 -5.5240907E-04 1.6092592E-01 -9.7868848E-02 2.4288987E-02 27 3.0707979E+00 -1.8740350E-05 9.2373413E-05 2.3171792E-02 4.9196532E-01 -2.6168413E-01 28 1.8815154E+00 1.3129399E-05 -1.7940822E-04 2.3388158E-03 6.6402057E-01 -5.0274406E-01 29 1.1061517E+00 -4.7495279E-06 3.3072234E-05 6.5349637E-04 2.9214781E-01 -3.4344045E-01 30 5.8274294E-01 1.8414703E-06 -1.4033234E-05 -8.2091429E-05 2.8547723E-02 2.5894064E-01 31 3.1156539E-01 -9.4650051E-07 1.0456170E-05 -3.7890903E-05 1.8829846E-04 6.2578976E-01 32 1.5990661E-01 2.5591990E-07 -1.4197295E-06 -2.6575832E-05 7.0204630E-04 4.2732012E-01 33 7.8476292E-02 -6.6251896E-08 7.0535725E-07 -2.1263793E-06 1.7060430E-05 7.2702418E-02 2p- 3p- 4p- 5p- 1 4.3943119E+07 6.1482706E-06 -2.8844661E-06 1.2784860E-06 -3.9944365E-07 2 1.0193776E+07 1.9407151E-05 -9.1050820E-06 4.0356258E-06 -1.2608900E-06 3 2.7769157E+06 4.6908424E-05 -2.2008890E-05 9.7552497E-06 -3.0478670E-06 4 8.4677403E+05 1.0364651E-04 -4.8635589E-05 2.1557143E-05 -6.7354520E-06 5 2.8182555E+05 2.1893039E-04 -1.0276082E-04 4.5552583E-05 -1.4231971E-05 6 1.0090806E+05 4.5340238E-04 -2.1294630E-04 9.4398902E-05 -2.9496957E-05 7 3.8598809E+04 9.4364274E-04 -4.4376691E-04 1.9680485E-04 -6.1486992E-05 8 1.5732528E+04 2.0295234E-03 -9.5671596E-04 4.2438307E-04 -1.3264076E-04 9 6.8186592E+03 4.6022585E-03 -2.1785289E-03 9.6754828E-04 -3.0231348E-04 10 3.1281268E+03 1.0942979E-02 -5.2150640E-03 2.3180776E-03 -7.2491589E-04 11 1.5084434E+03 2.6343192E-02 -1.2699383E-02 5.6617701E-03 -1.7699455E-03 12 7.5887458E+02 6.1037379E-02 -3.0012901E-02 1.3424043E-02 -4.2033858E-03 13 3.9564241E+02 1.2784380E-01 -6.4897196E-02 2.9246658E-02 -9.1589261E-03 14 2.1225470E+02 2.2522697E-01 -1.1930181E-01 5.4188665E-02 -1.7020289E-02 15 1.1647916E+02 3.0456101E-01 -1.6881251E-01 7.7730556E-02 -2.4421245E-02 16 6.5073114E+01 2.7164970E-01 -1.3109711E-01 5.7204716E-02 -1.7869122E-02 17 3.6600341E+01 1.3185027E-01 8.0577026E-02 -5.9481317E-02 2.0203762E-02 18 2.0470515E+01 2.5735510E-02 3.7686581E-01 -2.4606392E-01 8.2225304E-02 19 1.1648733E+01 1.4323091E-03 4.4237075E-01 -3.2765241E-01 1.1318775E-01 20 6.6150426E+00 1.5750207E-04 2.0301124E-01 -1.8414726E-02 -9.3557640E-03 21 3.6847220E+00 -1.3417647E-04 3.1584329E-02 4.3337555E-01 -1.8707257E-01 22 2.0272017E+00 -2.9962052E-05 2.0481532E-03 5.1348264E-01 -2.5916873E-01 23 1.0980336E+00 -1.8553193E-05 2.5427673E-04 2.0768314E-01 -6.6838210E-02 24 5.5604418E-01 2.0172108E-06 4.3390121E-06 2.3191362E-02 3.1257594E-01 25 2.7296723E-01 -1.0858513E-06 -1.9631736E-05 9.6207488E-04 4.8861299E-01 26 1.2967571E-01 5.0610228E-07 3.0398103E-06 2.2674815E-04 3.2854318E-01 27 5.9339740E-02 -1.2546859E-07 -1.1858695E-06 -1.7547157E-05 6.4642519E-02 2p+ 3p+ 4p+ 5p+ 1 4.3943119E+07 1.5198912E-08 -7.2204104E-09 3.2079290E-09 -9.7633959E-10 2 1.0193776E+07 8.2378393E-08 -3.9114856E-08 1.7335264E-08 -5.2958686E-09 3 2.7769157E+06 4.0922537E-07 -1.9455460E-07 8.6415406E-08 -2.6319013E-08 4 8.4677403E+05 1.8675807E-06 -8.8802414E-07 3.9381029E-07 -1.2024781E-07 5 2.8182555E+05 8.1754878E-06 -3.8928958E-06 1.7292349E-06 -5.2689518E-07 6 1.0090806E+05 3.4600730E-05 -1.6485807E-05 7.3153453E-06 -2.2331610E-06 7 3.8598809E+04 1.4054233E-04 -6.7069696E-05 2.9800942E-05 -9.0833543E-06 8 1.5732528E+04 5.3836209E-04 -2.5727561E-04 1.1424560E-04 -3.4872594E-05 9 6.8186592E+03 1.9121954E-03 -9.1671654E-04 4.0766308E-04 -1.2429371E-04 10 3.1281268E+03 6.2245525E-03 -2.9992457E-03 1.3341369E-03 -4.0731975E-04 11 1.5084434E+03 1.8379121E-02 -8.9480300E-03 3.9915820E-03 -1.2177332E-03 12 7.5887458E+02 4.8525545E-02 -2.4063647E-02 1.0766889E-02 -3.2906122E-03 13 3.9564241E+02 1.1110856E-01 -5.6844545E-02 2.5619098E-02 -7.8294159E-03 14 2.1225470E+02 2.0972004E-01 -1.1194227E-01 5.0858786E-02 -1.5589219E-02 15 1.1647916E+02 3.0236245E-01 -1.7015122E-01 7.8434969E-02 -2.4055018E-02 16 6.5073114E+01 2.8967449E-01 -1.5218134E-01 6.8228244E-02 -2.0895113E-02 17 3.6600341E+01 1.5428780E-01 4.1067904E-02 -3.7152447E-02 1.2583191E-02 18 2.0470515E+01 3.4411589E-02 3.4864625E-01 -2.2589224E-01 7.3429927E-02 19 1.1648733E+01 2.0079559E-03 4.5966049E-01 -3.4135125E-01 1.1486267E-01 20 6.6150426E+00 2.9863634E-04 2.3452044E-01 -7.0313765E-02 1.1386419E-02 21 3.6847220E+00 -2.1503377E-04 4.2203430E-02 3.9482624E-01 -1.6449718E-01 22 2.0272017E+00 7.3495898E-07 2.7056701E-03 5.3157412E-01 -2.5749016E-01 23 1.0980336E+00 -4.0339517E-05 4.1550713E-04 2.4290433E-01 -1.0187993E-01 24 5.5604418E-01 1.1419761E-05 -3.7232852E-05 3.1992626E-02 2.6789835E-01 25 2.7296723E-01 -5.4675448E-06 -3.7841329E-06 1.2020908E-03 4.7903064E-01 26 1.2967571E-01 2.3022114E-06 -4.5972627E-06 3.5257972E-04 3.6433427E-01 27 5.9339740E-02 -5.9610982E-07 7.5333108E-07 -3.8478774E-05 9.3590528E-02 3d- 4d- 1 2.7282038E+04 1.4051475E-05 -5.9295829E-06 2 6.8242802E+03 7.9748049E-05 -3.3719656E-05 3 2.3770082E+03 4.0111837E-04 -1.6955190E-04 4 9.8286540E+02 1.8167904E-03 -7.7098695E-04 5 4.5280979E+02 7.2007127E-03 -3.0636381E-03 6 2.2486276E+02 2.3911737E-02 -1.0251619E-02 7 1.1749726E+02 6.5371028E-02 -2.8282925E-02 8 6.3743899E+01 1.4489146E-01 -6.3722104E-02 9 3.5470663E+01 2.4738190E-01 -1.0761240E-01 10 1.9992770E+01 3.1568959E-01 -1.3164835E-01 11 1.1403273E+01 2.6807410E-01 -7.5208000E-02 12 6.4869096E+00 1.2766641E-01 1.1690454E-01 13 3.6227035E+00 2.7634385E-02 3.2638341E-01 14 1.9992693E+00 1.7373991E-03 3.8370750E-01 15 1.1044448E+00 1.8148087E-04 2.3749139E-01 16 6.7735740E-01 -1.0609054E-04 6.9741249E-02 17 4.3172672E-01 4.7095360E-06 3.7689898E-02 18 1.8047375E-01 -1.1265124E-05 3.8107686E-03 3d+ 4d+ 1 2.7282038E+04 2.5678279E-06 -1.0797724E-06 2 6.8242802E+03 3.3766981E-05 -1.4266027E-05 3 2.3770082E+03 2.5867795E-04 -1.0908299E-04 4 9.8286540E+02 1.4357825E-03 -6.0808276E-04 5 4.5280979E+02 6.2908924E-03 -2.6703590E-03 6 2.2486276E+02 2.2061535E-02 -9.4366381E-03 7 1.1749726E+02 6.2228711E-02 -2.6859609E-02 8 6.3743899E+01 1.4058322E-01 -6.1708738E-02 9 3.5470663E+01 2.4359371E-01 -1.0593320E-01 10 1.9992770E+01 3.1564443E-01 -1.3203671E-01 11 1.1403273E+01 2.7292514E-01 -7.9860882E-02 12 6.4869096E+00 1.3279971E-01 1.0823238E-01 13 3.6227035E+00 2.9559420E-02 3.1973226E-01 14 1.9992693E+00 1.9120524E-03 3.8557265E-01 15 1.1044448E+00 2.1644007E-04 2.4453367E-01 16 6.7735740E-01 -1.1789021E-04 7.3385691E-02 17 4.3172672E-01 1.1476487E-05 4.0460157E-02 18 1.8047375E-01 -1.2541016E-05 4.2629402E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.5931970E+07 -4.7110179E-05 1.6404800E-05 -7.3681423E-06 3.3599116E-06 -1.1988846E-06 2 2.0191847E+07 -1.6409416E-04 5.7144301E-05 -2.5666416E-05 1.1704190E-05 -4.1762116E-06 3 6.9130961E+06 -3.2234047E-04 1.1227093E-04 -5.0427580E-05 2.2995316E-05 -8.2052543E-06 4 2.6338037E+06 -6.0652763E-04 2.1131070E-04 -9.4916768E-05 4.3284026E-05 -1.5444223E-05 5 1.0927593E+06 -1.0524543E-03 3.6681802E-04 -1.6477625E-04 7.5140231E-05 -2.6812128E-05 6 4.7735047E+05 -1.8057639E-03 6.2984806E-04 -2.8296562E-04 1.2904383E-04 -4.6044174E-05 7 2.1743573E+05 -3.0003314E-03 1.0477984E-03 -4.7081540E-04 2.1471067E-04 -7.6616465E-05 8 1.0220067E+05 -4.9098888E-03 1.7186366E-03 -7.7253051E-04 3.5234780E-04 -1.2572309E-04 9 4.9400888E+04 -7.8316063E-03 2.7524559E-03 -1.2379765E-03 5.6467986E-04 -2.0150852E-04 10 2.4488416E+04 -1.2191528E-02 4.3170997E-03 -1.9439771E-03 8.8698060E-04 -3.1650896E-04 11 1.2433235E+04 -1.8359712E-02 6.5891110E-03 -2.9731049E-03 1.3570437E-03 -4.8434191E-04 12 6.4552801E+03 -2.6510352E-02 9.7482117E-03 -4.4151390E-03 2.0170260E-03 -7.1992120E-04 13 3.4223475E+03 -3.5945908E-02 1.3793527E-02 -6.2886476E-03 2.8767154E-03 -1.0272218E-03 14 1.8515400E+03 -4.4200540E-02 1.8267123E-02 -8.4265346E-03 3.8648704E-03 -1.3805003E-03 15 1.0228993E+03 -4.6507802E-02 2.1742862E-02 -1.0232708E-02 4.7127710E-03 -1.6853488E-03 16 5.7797994E+02 -3.8254240E-02 2.1557556E-02 -1.0480181E-02 4.8622556E-03 -1.7404115E-03 17 3.3491389E+02 -2.1582951E-02 1.4599046E-02 -7.3965689E-03 3.4612514E-03 -1.2429410E-03 18 2.0113053E+02 -6.9777010E-03 1.7733099E-03 -7.4366240E-04 3.3904254E-04 -1.1793800E-04 19 1.3225364E+02 -1.2111013E-03 -8.9430271E-03 5.9228128E-03 -2.9358215E-03 1.0600499E-03 20 8.8031447E+01 -2.2916243E-04 -1.7795539E-02 1.3789280E-02 -7.1001094E-03 2.6048278E-03 21 5.5587293E+01 4.7936796E-06 -1.9076913E-02 1.8583810E-02 -1.0056450E-02 3.7074528E-03 22 3.3923181E+01 -7.4514340E-06 -9.6921330E-03 1.0913331E-02 -6.2017726E-03 2.3314924E-03 23 2.0308052E+01 5.2816467E-06 -1.9663514E-03 -4.2425973E-03 2.6997867E-03 -1.0198026E-03 24 1.2692152E+01 -1.8642371E-06 -1.0874519E-04 -1.2925284E-02 1.2051192E-02 -5.0649121E-03 25 7.9547408E+00 1.6460629E-06 -2.8981609E-05 -8.3294162E-03 1.0671197E-02 -4.6932269E-03 26 4.9988648E+00 -8.9666977E-07 8.0893763E-06 -2.2762601E-03 1.3854074E-03 -3.4467087E-04 27 3.0707979E+00 4.0422243E-07 -1.1784032E-06 -2.5675165E-04 -5.4476814E-03 2.8971723E-03 28 1.8815154E+00 -2.1892192E-07 1.6394361E-06 -2.0344686E-05 -5.7568852E-03 4.3579182E-03 29 1.1061517E+00 7.7470854E-08 -2.5580875E-07 -4.3192998E-06 -1.9421819E-03 2.2828710E-03 30 5.8274294E-01 -2.7449100E-08 8.2090996E-08 3.8565804E-07 -1.3774845E-04 -1.2491569E-03 31 3.1156539E-01 1.1723140E-08 -4.3399433E-08 1.3860532E-07 -6.6456713E-07 -2.2075150E-03 32 1.5990661E-01 -3.7307334E-09 5.9646541E-09 6.5379442E-08 -1.7741611E-06 -1.0799153E-03 33 7.8476292E-02 8.4004687E-10 -1.8056531E-09 4.1906181E-09 -3.0250891E-08 -1.2871316E-04 2p- 3p- 4p- 5p- 1 4.3943119E+07 -1.4862389E-06 6.9746552E-07 -3.0922725E-07 9.6587995E-08 2 1.0193776E+07 -5.0530028E-06 2.3718791E-06 -1.0511246E-06 3.2851727E-07 3 2.7769157E+06 -1.2885111E-05 6.0514055E-06 -2.6835389E-06 8.3816601E-07 4 8.4677403E+05 -3.0354583E-05 1.4265313E-05 -6.3227869E-06 1.9764011E-06 5 2.8182555E+05 -6.9593465E-05 3.2740451E-05 -1.4525001E-05 4.5365878E-06 6 1.0090806E+05 -1.5833111E-04 7.4579936E-05 -3.3069704E-05 1.0338429E-05 7 3.8598809E+04 -3.5788820E-04 1.6886902E-04 -7.4962978E-05 2.3415124E-05 8 1.5732528E+04 -7.9635662E-04 3.7658028E-04 -1.6711001E-04 5.2250490E-05 9 6.8186592E+03 -1.7201677E-03 8.1629785E-04 -3.6278138E-04 1.1333949E-04 10 3.1281268E+03 -3.5564172E-03 1.6976468E-03 -7.5476010E-04 2.3607520E-04 11 1.5084434E+03 -6.9199738E-03 3.3393247E-03 -1.4891555E-03 4.6550891E-04 12 7.5887458E+02 -1.2392282E-02 6.0976399E-03 -2.7275719E-03 8.5412730E-04 13 3.9564241E+02 -1.9636952E-02 9.9767393E-03 -4.4968887E-03 1.4082474E-03 14 2.1225470E+02 -2.5973716E-02 1.3776540E-02 -6.2589002E-03 1.9659969E-03 15 1.1647916E+02 -2.6337226E-02 1.4633967E-02 -6.7413563E-03 2.1181205E-03 16 6.5073114E+01 -1.7610034E-02 8.5442621E-03 -3.7338962E-03 1.1667335E-03 17 3.6600341E+01 -6.3256804E-03 -3.9900363E-03 2.9312645E-03 -9.9513282E-04 18 2.0470515E+01 -8.2225623E-04 -1.3915155E-02 9.0749042E-03 -3.0319658E-03 19 1.1648733E+01 4.5043603E-05 -1.2328690E-02 9.1259158E-03 -3.1523734E-03 20 6.6150426E+00 5.2281104E-05 -4.2664558E-03 3.9435730E-04 1.9312614E-04 21 3.6847220E+00 4.1458151E-05 -4.9724805E-04 -6.7814598E-03 2.9275469E-03 22 2.0272017E+00 2.2756729E-05 -2.5050823E-05 -5.9622508E-03 3.0095673E-03 23 1.0980336E+00 1.8771723E-05 -3.2081632E-06 -1.7732809E-03 5.7097344E-04 24 5.5604418E-01 8.5341450E-06 -5.0050846E-07 -1.3994269E-04 -1.9018202E-03 25 2.7296723E-01 9.1792416E-06 -4.2542470E-07 -2.8605592E-06 -2.0829880E-03 26 1.2967571E-01 9.9905765E-07 -6.4395401E-08 -5.2895049E-07 -9.6528722E-04 27 5.9339740E-02 5.0665384E-06 -2.7874101E-07 7.2148697E-07 -1.2859574E-04 2p+ 3p+ 4p+ 5p+ 1 4.3943119E+07 -4.3134443E-08 2.0518074E-08 -9.1573994E-09 2.7682138E-09 2 1.0193776E+07 -2.4330770E-07 1.1532887E-07 -5.0959662E-08 1.5632911E-08 3 2.7769157E+06 -1.0923290E-06 5.1900174E-07 -2.3086580E-07 7.0132254E-08 4 8.4677403E+05 -4.3361594E-06 2.0571265E-06 -9.1100117E-07 2.7856269E-07 5 2.8182555E+05 -1.5607699E-05 7.4133161E-06 -3.2930747E-06 1.0024654E-06 6 1.0090806E+05 -5.1538909E-05 2.4468034E-05 -1.0846428E-05 3.3121989E-06 7 3.8598809E+04 -1.5644756E-04 7.4358250E-05 -3.3017673E-05 1.0059846E-05 8 1.5732528E+04 -4.3560729E-04 2.0721846E-04 -9.1925020E-05 2.8058780E-05 9 6.8186592E+03 -1.1106408E-03 5.2993497E-04 -2.3544972E-04 7.1769278E-05 10 3.1281268E+03 -2.5917351E-03 1.2428502E-03 -5.5230790E-04 1.6860239E-04 11 1.5084434E+03 -5.5136808E-03 2.6720109E-03 -1.1908679E-03 3.6323532E-04 12 7.5887458E+02 -1.0573366E-02 5.2202456E-03 -2.3336679E-03 7.1312675E-04 13 3.9564241E+02 -1.7744610E-02 9.0420435E-03 -4.0719821E-03 1.2442496E-03 14 2.1225470E+02 -2.4754200E-02 1.3166417E-02 -5.9779169E-03 1.8321503E-03 15 1.1647916E+02 -2.6584371E-02 1.4915706E-02 -6.8721735E-03 2.1074128E-03 16 6.5073114E+01 -1.9099074E-02 1.0016632E-02 -4.4911809E-03 1.3754826E-03 17 3.6600341E+01 -7.6403455E-03 -2.0036554E-03 1.8177014E-03 -6.1581283E-04 18 2.0470515E+01 -1.2754351E-03 -1.2856948E-02 8.3247080E-03 -2.7057595E-03 19 1.1648733E+01 -5.5958591E-05 -1.2803602E-02 9.5029552E-03 -3.1975009E-03 20 6.6150426E+00 -6.3717111E-06 -4.9246384E-03 1.4780998E-03 -2.4008354E-04 21 3.6847220E+00 3.4295836E-06 -6.6152209E-04 -6.1823842E-03 2.5755055E-03 22 2.0272017E+00 -4.0551188E-08 -3.1421881E-05 -6.1752995E-03 2.9909394E-03 23 1.0980336E+00 3.6181203E-07 -3.5673463E-06 -2.0769326E-03 8.7108936E-04 24 5.5604418E-01 -7.7424323E-08 2.3350974E-07 -1.9465665E-04 -1.6298009E-03 25 2.7296723E-01 2.7022618E-08 1.2895132E-08 -5.1270306E-06 -2.0419201E-03 26 1.2967571E-01 -8.3169165E-09 1.4881898E-08 -1.0348801E-06 -1.0704157E-03 27 5.9339740E-02 1.6279789E-09 -1.8919441E-09 7.6170320E-08 -1.8600675E-04 3d- 4d- 1 2.7282038E+04 -4.9453668E-06 2.0848594E-06 2 6.8242802E+03 -3.0771330E-05 1.3026207E-05 3 2.3770082E+03 -1.3393748E-04 5.6609262E-05 4 9.8286540E+02 -4.6717500E-04 1.9829686E-04 5 4.5280979E+02 -1.3660240E-03 5.8117488E-04 6 2.2486276E+02 -3.3269536E-03 1.4264328E-03 7 1.1749726E+02 -6.7041807E-03 2.9005937E-03 8 6.3743899E+01 -1.1050367E-02 4.8604786E-03 9 3.5470663E+01 -1.4143253E-02 6.1541122E-03 10 1.9992770E+01 -1.3584192E-02 5.6670283E-03 11 1.1403273E+01 -8.7204623E-03 2.4490223E-03 12 6.4869096E+00 -3.1297208E-03 -2.8715201E-03 13 3.6227035E+00 -5.0279579E-04 -5.9946706E-03 14 1.9992693E+00 -2.1070055E-05 -5.2364008E-03 15 1.1044448E+00 -8.1133591E-07 -2.4090501E-03 16 6.7735740E-01 1.4466060E-06 -5.5386239E-04 17 4.3172672E-01 2.4427014E-07 -2.3896117E-04 18 1.8047375E-01 3.3839179E-07 -1.5504248E-05 3d+ 4d+ 1 2.7282038E+04 -2.9767295E-06 1.2499246E-06 2 6.8242802E+03 -2.2928447E-05 9.6815362E-06 3 2.3770082E+03 -1.1157922E-04 4.7010330E-05 4 9.8286540E+02 -4.1378962E-04 1.7511968E-04 5 4.5280979E+02 -1.2574081E-03 5.3334743E-04 6 2.2486276E+02 -3.1456086E-03 1.3446446E-03 7 1.1749726E+02 -6.4589280E-03 2.7861779E-03 8 6.3743899E+01 -1.0793218E-02 4.7352153E-03 9 3.5470663E+01 -1.3981313E-02 6.0775730E-03 10 1.9992770E+01 -1.3616785E-02 5.6942303E-03 11 1.1403273E+01 -8.8985651E-03 2.6043504E-03 12 6.4869096E+00 -3.2666207E-03 -2.6590380E-03 13 3.6227035E+00 -5.4346985E-04 -5.8736965E-03 14 1.9992693E+00 -2.6086914E-05 -5.2628246E-03 15 1.1044448E+00 -2.2169904E-06 -2.4809203E-03 16 6.7735740E-01 9.5141327E-07 -5.8308142E-04 17 4.3172672E-01 -7.8593461E-08 -2.5664895E-04 18 1.8047375E-01 5.2222909E-08 -1.7483223E-05 Spin-free Dirac-Hartree-Fock basis sets ======================================= ** In 115 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 8.1558825E+07 1.7907371E-05 -6.1250188E-06 2.6926785E-06 -1.1561800E-06 3.2177669E-07 2 2.1604557E+07 4.4658854E-05 -1.5302293E-05 6.7289447E-06 -2.8894225E-06 8.0414323E-07 3 7.3347745E+06 9.5867995E-05 -3.2911648E-05 1.4476116E-05 -6.2163866E-06 1.7301423E-06 4 2.7547371E+06 1.9252243E-04 -6.6283377E-05 2.9167015E-05 -1.2526105E-05 3.4861006E-06 5 1.1175232E+06 3.8778196E-04 -1.3394660E-04 5.8966854E-05 -2.5326112E-05 7.0491524E-06 6 4.7503120E+05 7.8229658E-04 -2.7132860E-04 1.1951958E-04 -5.1339920E-05 1.4288318E-05 7 2.1003140E+05 1.5980573E-03 -5.5677862E-04 2.4540397E-04 -1.0542568E-04 2.9346054E-05 8 9.5868324E+04 3.2928680E-03 -1.1533809E-03 5.0877481E-04 -2.1860736E-04 6.0840485E-05 9 4.5082316E+04 6.8039274E-03 -2.3985355E-03 1.0589160E-03 -4.5506068E-04 1.2668362E-04 10 2.1811096E+04 1.3953010E-02 -4.9632707E-03 2.1942725E-03 -9.4324789E-04 2.6251909E-04 11 1.0844717E+04 2.8080879E-02 -1.0130477E-02 4.4873554E-03 -1.9296931E-03 5.3730772E-04 12 5.5303871E+03 5.4600967E-02 -2.0179910E-02 8.9720311E-03 -3.8611956E-03 1.0747358E-03 13 2.8874411E+03 1.0001172E-01 -3.8561394E-02 1.7249261E-02 -7.4323544E-03 2.0704707E-03 14 1.5427641E+03 1.6551900E-01 -6.8737811E-02 3.1102831E-02 -1.3433203E-02 3.7405809E-03 15 8.4513395E+02 2.3188869E-01 -1.0914739E-01 5.0341120E-02 -2.1825931E-02 6.0891384E-03 16 4.7610969E+02 2.5089529E-01 -1.4302134E-01 6.8135559E-02 -2.9739600E-02 8.2893460E-03 17 2.7586967E+02 1.8684024E-01 -1.3026499E-01 6.4601128E-02 -2.8432062E-02 7.9741836E-03 18 1.6364563E+02 8.1215631E-02 -2.4356250E-02 1.1025657E-02 -4.8063211E-03 1.2776595E-03 19 9.9833181E+01 1.5909114E-02 1.7965688E-01 -1.1778055E-01 5.4827004E-02 -1.5336626E-02 20 6.1734460E+01 1.8497355E-03 3.6986300E-01 -2.9534675E-01 1.4397355E-01 -4.1265729E-02 21 3.8919682E+01 -1.8580876E-04 3.5507722E-01 -3.6371252E-01 1.8603180E-01 -5.2810335E-02 22 2.4976413E+01 2.4964461E-04 2.0092725E-01 -2.0594703E-01 1.0801634E-01 -3.2153906E-02 23 1.5430928E+01 -2.4060300E-04 5.8268230E-02 1.3986768E-01 -8.0509901E-02 2.4577985E-02 24 1.0122651E+01 1.1613106E-04 2.5868068E-03 5.1270826E-01 -4.1698772E-01 1.2992132E-01 25 6.3532582E+00 -8.7826544E-05 2.7231755E-03 5.0602503E-01 -5.9045094E-01 1.9937504E-01 26 3.8372507E+00 3.9609031E-05 -7.8556666E-04 1.8187148E-01 -1.4238886E-01 3.3075975E-02 27 2.2081211E+00 -1.4574976E-05 2.0174557E-04 1.9793894E-02 5.2573323E-01 -2.1453453E-01 28 1.2348418E+00 8.9292813E-06 -1.9877659E-04 2.1865874E-03 6.5660327E-01 -3.4004118E-01 29 6.6410819E-01 -2.7475413E-06 4.2513468E-05 4.5658463E-04 2.4921380E-01 -2.2746327E-01 30 2.8202334E-01 1.2476137E-06 -2.3505589E-05 5.3741121E-05 1.4935621E-02 1.8736504E-01 31 1.4695134E-01 -7.6101900E-07 1.4145570E-05 -1.9208253E-05 -1.9667678E-03 5.2554508E-01 32 7.2704208E-02 3.0653116E-07 -5.6289173E-06 4.5680904E-06 6.3880084E-04 4.3902153E-01 33 3.5142002E-02 -7.4538312E-08 1.3888098E-06 -1.9476417E-06 -1.0919240E-04 9.1666406E-02 2p 3p 4p 5p 1 4.1428526E+07 1.1492611E-06 -5.2652608E-07 2.1534498E-07 -4.2921683E-08 2 9.1070348E+06 3.7238084E-06 -1.7060946E-06 6.9780320E-07 -1.3907564E-07 3 2.3983519E+06 9.5264469E-06 -4.3653144E-06 1.7854131E-06 -3.5587437E-07 4 7.1282736E+05 2.2626612E-05 -1.0370686E-05 4.2421156E-06 -8.4543175E-07 5 2.3281254E+05 5.2505687E-05 -2.4082298E-05 9.8508522E-06 -1.9637541E-06 6 8.2454357E+04 1.2428892E-04 -5.7066697E-05 2.3352513E-05 -4.6535061E-06 7 3.1415693E+04 3.1372075E-04 -1.4435476E-04 5.9077455E-05 -1.1780333E-05 8 1.2802658E+04 8.5763868E-04 -3.9561944E-04 1.6204964E-04 -3.2289274E-05 9 5.5678426E+03 2.4601491E-03 -1.1395432E-03 4.6689944E-04 -9.3132595E-05 10 2.5697906E+03 7.0691966E-03 -3.2926629E-03 1.3512222E-03 -2.6927708E-04 11 1.2462109E+03 1.9490025E-02 -9.1749804E-03 3.7705778E-03 -7.5247787E-04 12 6.2931224E+02 4.9615598E-02 -2.3781497E-02 9.8125631E-03 -1.9568328E-03 13 3.2862964E+02 1.1159394E-01 -5.5168756E-02 2.2884531E-02 -4.5732098E-03 14 1.7615450E+02 2.0946417E-01 -1.0791946E-01 4.5163193E-02 -9.0220233E-03 15 9.6251051E+01 3.0326597E-01 -1.6467128E-01 6.9690155E-02 -1.3972892E-02 16 5.3358380E+01 2.9219231E-01 -1.4917769E-01 6.1986205E-02 -1.2339853E-02 17 2.9679431E+01 1.5357973E-01 4.2133193E-02 -3.3906519E-02 7.1881231E-03 18 1.6350287E+01 3.2862982E-02 3.4716690E-01 -1.9987071E-01 4.1860372E-02 19 9.1136801E+00 1.9516374E-03 4.6356471E-01 -3.1005521E-01 6.6108318E-02 20 5.0767333E+00 3.0979008E-04 2.3444872E-01 -7.4748468E-02 1.1682084E-02 21 2.7516461E+00 -1.5438508E-04 3.9254419E-02 3.7338002E-01 -9.7602334E-02 22 1.4433787E+00 -1.4586463E-05 2.3496707E-03 5.2002528E-01 -1.3873521E-01 23 7.3330241E-01 -2.9605183E-05 5.0016799E-04 2.6826746E-01 -8.5394903E-02 24 3.3886537E-01 3.4939861E-06 5.1472629E-06 3.7975481E-02 1.0454520E-01 25 1.4839747E-01 -2.5462482E-06 2.7902111E-06 6.0108518E-04 3.8914954E-01 26 6.3599765E-02 1.1777871E-06 -6.2891383E-06 6.5283200E-04 4.8685180E-01 27 2.6984065E-02 -3.1349922E-07 8.3595761E-07 -8.6396219E-05 1.8627869E-01 3d 4d 1 1.6290524E+04 9.0978655E-06 -3.2281255E-06 2 4.1744221E+03 7.4394728E-05 -2.6461206E-05 3 1.4841644E+03 4.6951751E-04 -1.6694414E-04 4 6.2272694E+02 2.3659704E-03 -8.4441166E-04 5 2.8988999E+02 9.6782400E-03 -3.4646355E-03 6 1.4474177E+02 3.1721813E-02 -1.1438070E-02 7 7.5691230E+01 8.3807425E-02 -3.0542268E-02 8 4.0982586E+01 1.7472992E-01 -6.4436444E-02 9 2.2644277E+01 2.7487958E-01 -9.9176595E-02 10 1.2647704E+01 3.1773936E-01 -1.0805706E-01 11 7.1267469E+00 2.3436640E-01 -3.5504088E-02 12 3.9869563E+00 9.2349218E-02 1.4410569E-01 13 2.1775314E+00 1.5594964E-02 3.0986451E-01 14 1.1661294E+00 9.3579984E-04 3.4712325E-01 15 6.2215607E-01 1.0713935E-04 2.5015094E-01 16 3.4162573E-01 -1.3693589E-05 1.1719784E-01 17 1.8482052E-01 1.6378318E-06 3.9598188E-02 18 7.2672750E-02 -1.5873708E-06 2.9841455E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 8.1558825E+07 5.7197226E-07 -1.9535272E-07 8.5862009E-08 -3.6865668E-08 1.0260437E-08 2 2.1604557E+07 3.8968775E-06 -1.3310020E-06 5.8502856E-07 -2.5119051E-07 6.9903939E-08 3 7.3347745E+06 1.3389231E-05 -4.5737477E-06 2.0102983E-06 -8.6314247E-07 2.4023606E-07 4 2.7547371E+06 4.2097223E-05 -1.4383336E-05 6.3224317E-06 -2.7146649E-06 7.5543679E-07 5 1.1175232E+06 1.1854636E-04 -4.0516887E-05 1.7809543E-05 -7.6468024E-06 2.1283983E-06 6 4.7503120E+05 3.2165994E-04 -1.1000443E-04 4.8361375E-05 -2.0765586E-05 5.7784726E-06 7 2.1003140E+05 8.2912541E-04 -2.8385330E-04 1.2479934E-04 -5.3586987E-05 1.4915921E-05 8 9.5868324E+04 2.0630054E-03 -7.0770935E-04 3.1127523E-04 -1.3366917E-04 3.7195688E-05 9 4.5082316E+04 4.9181161E-03 -1.6934411E-03 7.4516187E-04 -3.2001489E-04 8.9082079E-05 10 2.1811096E+04 1.1235883E-02 -3.8961867E-03 1.7164291E-03 -7.3731659E-04 2.0517252E-04 11 1.0844717E+04 2.4453791E-02 -8.5903970E-03 3.7911556E-03 -1.6291024E-03 4.5356607E-04 12 5.5303871E+03 5.0297282E-02 -1.8095711E-02 8.0158246E-03 -3.4471493E-03 9.5934196E-04 13 2.8874411E+03 9.5801311E-02 -3.5971665E-02 1.6033271E-02 -6.9034725E-03 1.9229364E-03 14 1.5427641E+03 1.6284535E-01 -6.5918263E-02 2.9726771E-02 -1.2830306E-02 3.5722239E-03 15 8.4513395E+02 2.3221136E-01 -1.0667367E-01 4.9049852E-02 -2.1253237E-02 5.9288210E-03 16 4.7610969E+02 2.5412146E-01 -1.4164727E-01 6.7309861E-02 -2.9364609E-02 8.1840431E-03 17 2.7586967E+02 1.9050947E-01 -1.3038435E-01 6.4574925E-02 -2.8413519E-02 7.9685490E-03 18 1.6364563E+02 8.3141281E-02 -2.5553650E-02 1.1815470E-02 -5.1723523E-03 1.3810701E-03 19 9.9833181E+01 1.6295917E-02 1.7854584E-01 -1.1652727E-01 5.4197187E-02 -1.5156902E-02 20 6.1734460E+01 1.9110779E-03 3.6993148E-01 -2.9437295E-01 1.4341276E-01 -4.1101551E-02 21 3.8919682E+01 -2.1564865E-04 3.5594975E-01 -3.6355934E-01 1.8588687E-01 -5.2766506E-02 22 2.4976413E+01 2.7876071E-04 2.0156340E-01 -2.0629990E-01 1.0821386E-01 -3.2210320E-02 23 1.5430928E+01 -2.6867419E-04 5.8497745E-02 1.3941371E-01 -8.0130935E-02 2.4459495E-02 24 1.0122651E+01 1.3947087E-04 2.5780879E-03 5.1275313E-01 -4.1670855E-01 1.2981718E-01 25 6.3532582E+00 -1.0353098E-04 2.7415761E-03 5.0629842E-01 -5.9045066E-01 1.9936581E-01 26 3.8372507E+00 4.9161401E-05 -7.9480598E-04 1.8201756E-01 -1.4252514E-01 3.3135171E-02 27 2.2081211E+00 -2.0123449E-05 2.0638766E-04 1.9801411E-02 5.2571653E-01 -2.1450475E-01 28 1.2348418E+00 1.2205718E-05 -2.0157329E-04 2.1912543E-03 6.5665759E-01 -3.4003493E-01 29 6.6410819E-01 -4.4683769E-06 4.3868691E-05 4.5475107E-04 2.4924399E-01 -2.2746994E-01 30 2.8202334E-01 2.3538040E-06 -2.4347522E-05 5.5041989E-05 1.4936511E-02 1.8736046E-01 31 1.4695134E-01 -1.7127308E-06 1.4853083E-05 -2.0326204E-05 -1.9663049E-03 5.2554686E-01 32 7.2704208E-02 8.9196881E-07 -6.0551532E-06 5.2561007E-06 6.3843331E-04 4.3902382E-01 33 3.5142002E-02 -2.9851020E-07 1.5495080E-06 -2.2117303E-06 -1.0903624E-04 9.1667244E-02 2p 3p 4p 5p 1 4.1428526E+07 5.3872307E-09 -2.4704314E-09 1.0099809E-09 -2.0153564E-10 2 9.1070348E+06 4.2342030E-08 -1.9410133E-08 7.9444423E-09 -1.5815270E-09 3 2.3983519E+06 2.4315472E-07 -1.1162901E-07 4.5643571E-08 -9.1092658E-09 4 7.1282736E+05 1.2639918E-06 -5.8025696E-07 2.3755936E-07 -4.7292682E-08 5 2.3281254E+05 6.2067098E-06 -2.8538911E-06 1.1673451E-06 -2.3294442E-07 6 8.2454357E+04 2.8820638E-05 -1.3254297E-05 5.4274298E-06 -1.0808032E-06 7 3.1415693E+04 1.2534719E-04 -5.7739853E-05 2.3628847E-05 -4.7140901E-06 8 1.2802658E+04 5.0284769E-04 -2.3187112E-04 9.4983636E-05 -1.8920357E-05 9 5.5678426E+03 1.8284779E-03 -8.4590637E-04 3.4647767E-04 -6.9120965E-05 10 2.5697906E+03 6.0123418E-03 -2.7949937E-03 1.1466316E-03 -2.2847410E-04 11 1.2462109E+03 1.7852181E-02 -8.3859553E-03 3.4448454E-03 -6.8746802E-04 12 6.2931224E+02 4.7332663E-02 -2.2637575E-02 9.3369387E-03 -1.8618329E-03 13 3.2862964E+02 1.0887588E-01 -5.3719515E-02 2.2275146E-02 -4.4512791E-03 14 1.7615450E+02 2.0688301E-01 -1.0641910E-01 4.4522988E-02 -8.8937192E-03 15 9.6251051E+01 3.0151583E-01 -1.6354652E-01 6.9201712E-02 -1.3874710E-02 16 5.3358380E+01 2.9135308E-01 -1.4879277E-01 6.1845837E-02 -1.2312524E-02 17 2.9679431E+01 1.5285337E-01 4.1995895E-02 -3.3755796E-02 7.1552485E-03 18 1.6350287E+01 3.1983556E-02 3.4703297E-01 -1.9966510E-01 4.1814072E-02 19 9.1136801E+00 1.1199581E-03 4.6373128E-01 -3.1002092E-01 6.6098191E-02 20 5.0767333E+00 -4.2207599E-04 2.3463038E-01 -7.4890479E-02 1.1717020E-02 21 2.7516461E+00 -8.3796471E-04 3.9323674E-02 3.7326665E-01 -9.7571103E-02 22 1.4433787E+00 -5.9215692E-04 2.3913191E-03 5.1997385E-01 -1.3871843E-01 23 7.3330241E-01 -6.0222989E-04 5.3931609E-04 2.6821888E-01 -8.5385385E-02 24 3.3886537E-01 -4.7277851E-04 3.8309417E-05 3.7920543E-02 1.0455086E-01 25 1.4839747E-01 -5.0250380E-04 3.7063587E-05 5.4145541E-04 3.8915621E-01 26 6.3599765E-02 -2.0732310E-04 8.2364976E-06 6.2757205E-04 4.8685577E-01 27 2.6984065E-02 -5.5091885E-04 3.8744968E-05 -1.5234873E-04 1.8628814E-01 3d 4d 1 1.6290524E+04 4.0229032E-06 -1.4262791E-06 2 4.1744221E+03 5.4227066E-05 -1.9290574E-05 3 1.4841644E+03 4.0911158E-04 -1.4541261E-04 4 6.2272694E+02 2.2173189E-03 -7.9115092E-04 5 2.8988999E+02 9.3725899E-03 -3.3541962E-03 6 1.4474177E+02 3.1211822E-02 -1.1251357E-02 7 7.5691230E+01 8.3122069E-02 -3.0285280E-02 8 4.0982586E+01 1.7402293E-01 -6.4165963E-02 9 2.2644277E+01 2.7433055E-01 -9.8970669E-02 10 1.2647704E+01 3.1743866E-01 -1.0795535E-01 11 7.1267469E+00 2.3424827E-01 -3.5515391E-02 12 3.9869563E+00 9.2266264E-02 1.4404926E-01 13 2.1775314E+00 1.5525568E-02 3.0982198E-01 14 1.1661294E+00 8.8618812E-04 3.4710317E-01 15 6.2215607E-01 7.8263250E-05 2.5014316E-01 16 3.4162573E-01 -3.2933476E-05 1.1719340E-01 17 1.8482052E-01 -1.0933713E-05 3.9594510E-02 18 7.2672750E-02 -1.4650584E-05 2.9796920E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 8.1558825E+07 5.0408645E-05 -1.7459868E-05 7.6811286E-06 -3.3001460E-06 9.1840049E-07 2 2.1604557E+07 1.1808010E-04 -4.0942604E-05 1.8015083E-05 -7.7403024E-06 2.1536737E-06 3 7.3347745E+06 2.3021023E-04 -7.9871055E-05 3.5148567E-05 -1.5101105E-05 4.2030953E-06 4 2.7547371E+06 4.1981810E-04 -1.4584995E-04 6.4212334E-05 -2.7588745E-05 7.6758590E-06 5 1.1175232E+06 7.5317203E-04 -2.6192693E-04 1.1535890E-04 -4.9560209E-05 1.3796386E-05 6 4.7503120E+05 1.3451683E-03 -4.6857694E-04 2.0653696E-04 -8.8737067E-05 2.4688632E-05 7 2.1003140E+05 2.4311651E-03 -8.4821585E-04 3.7410135E-04 -1.6072304E-04 4.4747914E-05 8 9.5868324E+04 4.4793973E-03 -1.5671390E-03 6.9185301E-04 -2.9728312E-04 8.2717061E-05 9 4.5082316E+04 8.4403636E-03 -2.9654189E-03 1.3100743E-03 -5.6296790E-04 1.5676053E-04 10 2.1811096E+04 1.6163098E-02 -5.7249749E-03 2.5324864E-03 -1.0886073E-03 3.0292362E-04 11 1.0844717E+04 3.1035388E-02 -1.1150323E-02 4.9407961E-03 -2.1244262E-03 5.9163502E-04 12 5.5303871E+03 5.8474273E-02 -2.1549493E-02 9.5837195E-03 -4.1242831E-03 1.1478399E-03 13 2.8874411E+03 1.0476062E-01 -4.0347130E-02 1.8054246E-02 -7.7794616E-03 2.1674285E-03 14 1.5427641E+03 1.7049701E-01 -7.0873498E-02 3.2086000E-02 -1.3858428E-02 3.8586718E-03 15 8.4513395E+02 2.3568763E-01 -1.1129651E-01 5.1370023E-02 -2.2274303E-02 6.2149905E-03 16 4.7610969E+02 2.5221307E-01 -1.4458250E-01 6.8959159E-02 -3.0106177E-02 8.3912132E-03 17 2.7586967E+02 1.8603981E-01 -1.3066347E-01 6.4912611E-02 -2.8579694E-02 8.0173674E-03 18 1.6364563E+02 8.0038866E-02 -2.3532691E-02 1.0710548E-02 -4.6787540E-03 1.2404862E-03 19 9.9833181E+01 1.5353198E-02 1.8115485E-01 -1.1867150E-01 5.5240456E-02 -1.5450508E-02 20 6.1734460E+01 1.7089145E-03 3.7091681E-01 -2.9634578E-01 1.4447991E-01 -4.1414593E-02 21 3.8919682E+01 -2.4083151E-04 3.5511267E-01 -3.6408125E-01 1.8624686E-01 -5.2868364E-02 22 2.4976413E+01 2.3157015E-04 2.0067163E-01 -2.0572872E-01 1.0793305E-01 -3.2136654E-02 23 1.5430928E+01 -2.5287723E-04 5.8092522E-02 1.4026801E-01 -8.0690273E-02 2.4631289E-02 24 1.0122651E+01 1.1270001E-04 2.5254224E-03 5.1308354E-01 -4.1734366E-01 1.3003497E-01 25 6.3532582E+00 -9.1073393E-05 2.7139080E-03 5.0600032E-01 -5.9054700E-01 1.9941497E-01 26 3.8372507E+00 3.8662485E-05 -7.8832665E-04 1.8178454E-01 -1.4225589E-01 3.3027265E-02 27 2.2081211E+00 -1.5727717E-05 2.0010798E-04 1.9770465E-02 5.2583658E-01 -2.1457221E-01 28 1.2348418E+00 8.5450935E-06 -2.0000150E-04 2.1825260E-03 6.5660929E-01 -3.4005192E-01 29 6.6410819E-01 -2.9028618E-06 4.1945312E-05 4.5546781E-04 2.4919747E-01 -2.2745798E-01 30 2.8202334E-01 1.1825447E-06 -2.3723391E-05 5.3572175E-05 1.4933242E-02 1.8737154E-01 31 1.4695134E-01 -8.1662199E-07 1.4051731E-05 -1.9354914E-05 -1.9686416E-03 5.2554825E-01 32 7.2704208E-02 2.7732009E-07 -5.6745268E-06 4.5688046E-06 6.3921027E-04 4.3902058E-01 33 3.5142002E-02 -9.1987810E-08 1.3834182E-06 -2.0890897E-06 -1.0914130E-04 9.1665920E-02 2p 3p 4p 5p 1 4.1428526E+07 1.0391610E-06 -4.7239930E-07 1.9275960E-07 -3.8440311E-08 2 9.1070348E+06 3.4895261E-06 -1.5879854E-06 6.4987446E-07 -1.2940657E-07 3 2.3983519E+06 9.1959588E-06 -4.1851956E-06 1.7076981E-06 -3.4060443E-07 4 7.1282736E+05 2.2672485E-05 -1.0335359E-05 4.2314249E-06 -8.4252924E-07 5 2.3281254E+05 5.4662788E-05 -2.4948855E-05 1.0184664E-05 -2.0316185E-06 6 8.2454357E+04 1.3262462E-04 -6.0688426E-05 2.4857904E-05 -4.9499334E-06 7 3.1415693E+04 3.3655565E-04 -1.5438514E-04 6.3094567E-05 -1.2587031E-05 8 1.2802658E+04 9.1034477E-04 -4.1904853E-04 1.7172936E-04 -3.4204146E-05 9 5.5678426E+03 2.5745527E-03 -1.1904151E-03 4.8739672E-04 -9.7239852E-05 10 2.5697906E+03 7.3087327E-03 -3.4008045E-03 1.3958165E-03 -2.7812271E-04 11 1.2462109E+03 1.9958809E-02 -9.3897790E-03 3.8579695E-03 -7.6996897E-04 12 6.2931224E+02 5.0421928E-02 -2.4164651E-02 9.9713946E-03 -1.9884116E-03 13 3.2862964E+02 1.1274308E-01 -5.5745268E-02 2.3123791E-02 -4.6211743E-03 14 1.7615450E+02 2.1070776E-01 -1.0859982E-01 4.5452604E-02 -9.0797638E-03 15 9.6251051E+01 3.0413339E-01 -1.6523562E-01 6.9939511E-02 -1.4023427E-02 16 5.3358380E+01 2.9235990E-01 -1.4932022E-01 6.2052967E-02 -1.2353048E-02 17 2.9679431E+01 1.5341063E-01 4.2433333E-02 -3.4056903E-02 7.2185264E-03 18 1.6350287E+01 3.2774083E-02 3.4751020E-01 -2.0006513E-01 4.1901450E-02 19 9.1136801E+00 1.9357511E-03 4.6366952E-01 -3.1016708E-01 6.6133499E-02 20 5.0767333E+00 3.0800111E-04 2.3439234E-01 -7.4681944E-02 1.1666366E-02 21 2.7516461E+00 -1.5516307E-04 3.9234765E-02 3.7345301E-01 -9.7620360E-02 22 1.4433787E+00 -1.4578819E-05 2.3458967E-03 5.2004100E-01 -1.3874026E-01 23 7.3330241E-01 -2.9712832E-05 5.0025926E-04 2.6825969E-01 -8.5394135E-02 24 3.3886537E-01 3.4984603E-06 4.8322699E-06 3.7973029E-02 1.0454820E-01 25 1.4839747E-01 -2.5611355E-06 2.8940902E-06 6.0074081E-04 3.8915184E-01 26 6.3599765E-02 1.1805204E-06 -6.3442015E-06 6.5286796E-04 4.8685219E-01 27 2.6984065E-02 -3.1446282E-07 8.4634551E-07 -8.6418659E-05 1.8627843E-01 3d 4d 1 1.6290524E+04 9.8730578E-06 -3.4976943E-06 2 4.1744221E+03 7.7397930E-05 -2.7529342E-05 3 1.4841644E+03 4.8027182E-04 -1.7069683E-04 4 6.2272694E+02 2.4008968E-03 -8.5681694E-04 5 2.8988999E+02 9.7698279E-03 -3.4971715E-03 6 1.4474177E+02 3.1905709E-02 -1.1504352E-02 7 7.5691230E+01 8.4092189E-02 -3.0647083E-02 8 4.0982586E+01 1.7506116E-01 -6.4561872E-02 9 2.2644277E+01 2.7513951E-01 -9.9272238E-02 10 1.2647704E+01 3.1787026E-01 -1.0810698E-01 11 7.1267469E+00 2.3437734E-01 -3.5489885E-02 12 3.9869563E+00 9.2333819E-02 1.4415222E-01 13 2.1775314E+00 1.5589461E-02 3.0989545E-01 14 1.1661294E+00 9.3532658E-04 3.4713466E-01 15 6.2215607E-01 1.0697497E-04 2.5015213E-01 16 3.4162573E-01 -1.3662366E-05 1.1719707E-01 17 1.8482052E-01 1.6176692E-06 3.9597839E-02 18 7.2672750E-02 -1.5847264E-06 2.9840898E-03 ** Sn 120 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.9679550E+07 1.9796609E-05 -6.7978004E-06 3.0025007E-06 -1.3062291E-06 3.9266848E-07 2 2.1111952E+07 4.9312461E-05 -1.6964270E-05 7.4948880E-06 -3.2608310E-06 9.8025099E-07 3 7.1669636E+06 1.0569905E-04 -3.6434124E-05 1.6101258E-05 -7.0055456E-06 2.1060013E-06 4 2.6922571E+06 2.1160022E-04 -7.3155650E-05 3.2343381E-05 -1.4073885E-05 4.2308994E-06 5 1.0939261E+06 4.2390913E-04 -1.4705526E-04 6.5046722E-05 -2.8306336E-05 8.5097535E-06 6 4.6648190E+05 8.4909306E-04 -2.9580821E-04 1.3092428E-04 -5.6983543E-05 1.7131008E-05 7 2.0711902E+05 1.7216938E-03 -6.0263629E-04 2.6690117E-04 -1.1617556E-04 3.4927828E-05 8 9.4950649E+04 3.5217812E-03 -1.2395447E-03 5.4941961E-04 -2.3920394E-04 7.1915319E-05 9 4.4827047E+04 7.2318647E-03 -2.5624673E-03 1.1368678E-03 -4.9501744E-04 1.4883651E-04 10 2.1739911E+04 1.4785592E-02 -5.2883646E-03 2.3494847E-03 -1.0234130E-03 3.0770635E-04 11 1.0808631E+04 2.9754629E-02 -1.0800136E-02 4.8084747E-03 -2.0951687E-03 6.3004314E-04 12 5.4996837E+03 5.7865140E-02 -2.1541465E-02 9.6270512E-03 -4.1986409E-03 1.2626479E-03 13 2.8620699E+03 1.0570046E-01 -4.1138659E-02 1.8507360E-02 -8.0809393E-03 2.4310363E-03 14 1.5236558E+03 1.7374483E-01 -7.3120286E-02 3.3291151E-02 -1.4575669E-02 4.3861746E-03 15 8.3025497E+02 2.4070235E-01 -1.1562858E-01 5.3750899E-02 -2.3625104E-02 7.1165340E-03 16 4.6332252E+02 2.5380036E-01 -1.4906115E-01 7.1687117E-02 -3.1754079E-02 9.5734925E-03 17 2.6511834E+02 1.7537855E-01 -1.2354555E-01 6.1997383E-02 -2.7662793E-02 8.3639983E-03 18 1.5730929E+02 6.3822404E-02 3.2449422E-03 -4.6601489E-03 2.2050388E-03 -7.0431278E-04 19 1.0446732E+02 1.1145557E-02 1.3369016E-01 -8.7784140E-02 4.1659639E-02 -1.2649020E-02 20 7.1329590E+01 2.7343390E-03 3.0766370E-01 -2.3686781E-01 1.1576460E-01 -3.5662300E-02 21 4.4743352E+01 1.2709089E-04 4.0835773E-01 -3.9879054E-01 2.0544178E-01 -6.3530897E-02 22 2.7007722E+01 1.6743700E-05 2.4501457E-01 -2.6653741E-01 1.4256645E-01 -4.4834355E-02 23 1.5893325E+01 -4.6363132E-05 5.6967776E-02 2.0384578E-01 -1.2406634E-01 3.9477511E-02 24 9.7731771E+00 -3.2463513E-05 2.8980340E-03 5.9632611E-01 -5.3412028E-01 1.8604667E-01 25 6.0199525E+00 1.8444543E-06 1.5683650E-03 4.3365815E-01 -5.4305639E-01 1.9766115E-01 26 3.7110616E+00 -3.7079368E-06 -6.1569306E-04 1.2417736E-01 -1.6441132E-02 -1.2236678E-02 27 2.2706859E+00 6.1892757E-06 1.5739241E-04 1.4816485E-02 5.0617335E-01 -2.2522171E-01 28 1.3424342E+00 -6.1419199E-07 -1.7511524E-04 2.1785450E-03 6.2672440E-01 -3.6170963E-01 29 7.5165204E-01 9.9233171E-07 3.2015497E-05 5.0721234E-04 2.6193367E-01 -2.6255118E-01 30 3.5062253E-01 -3.0311723E-07 -1.7754358E-05 3.0680534E-05 1.9230767E-02 1.8129321E-01 31 1.8509389E-01 1.3989037E-07 9.6247168E-06 -1.1737631E-05 -1.4636189E-03 5.5081932E-01 32 9.2119430E-02 -6.5747813E-08 -3.1326214E-06 -4.3276032E-06 5.6522568E-04 4.5315466E-01 33 4.4348908E-02 1.1654162E-08 8.0961171E-07 -1.1113738E-06 -6.2661556E-05 9.3306666E-02 2p 3p 4p 5p 1 4.3524067E+07 1.1439759E-06 -5.2728338E-07 2.1951320E-07 -5.0975484E-08 2 9.9362626E+06 3.6917009E-06 -1.7016273E-06 7.0843842E-07 -1.6451791E-07 3 2.6682617E+06 9.4132439E-06 -4.3395935E-06 1.8066379E-06 -4.1953484E-07 4 8.0036417E+05 2.2303730E-05 -1.0284420E-05 4.2821998E-06 -9.9447200E-07 5 2.6250825E+05 5.1172322E-05 -2.3612483E-05 9.8311902E-06 -2.2829486E-06 6 9.3697913E+04 1.1864252E-04 -5.4798311E-05 2.2826577E-05 -5.3016855E-06 7 3.5815467E+04 2.9444549E-04 -1.3629390E-04 5.6771951E-05 -1.3183362E-05 8 1.4582743E+04 7.8875461E-04 -3.6597355E-04 1.5260260E-04 -3.5450762E-05 9 6.3255199E+03 2.2331510E-03 -1.0404910E-03 4.3389147E-04 -1.0076806E-04 10 2.9056573E+03 6.3997272E-03 -2.9973464E-03 1.2521482E-03 -2.9097184E-04 11 1.4022722E+03 1.7688640E-02 -8.3696318E-03 3.5003298E-03 -8.1325562E-04 12 7.0514880E+02 4.5438246E-02 -2.1865637E-02 9.1823699E-03 -2.1354460E-03 13 3.6656695E+02 1.0401566E-01 -5.1572748E-02 2.1763979E-02 -5.0631530E-03 14 1.9557480E+02 1.9997773E-01 -1.0322874E-01 4.3959123E-02 -1.0244516E-02 15 1.0643468E+02 2.9830448E-01 -1.6233278E-01 6.9878076E-02 -1.6302077E-02 16 5.8879326E+01 2.9978963E-01 -1.5751387E-01 6.7175617E-02 -1.5661243E-02 17 3.2761215E+01 1.6761573E-01 1.8671121E-02 -2.2762705E-02 5.8732789E-03 18 1.8087021E+01 3.9452110E-02 3.2436979E-01 -1.9024704E-01 4.6359866E-02 19 1.0090743E+01 2.5006518E-03 4.7084961E-01 -3.1902621E-01 8.0011626E-02 20 5.6311244E+00 4.0925863E-04 2.5683532E-01 -1.0547997E-01 2.1011185E-02 21 3.0577847E+00 -1.9928068E-04 4.7035810E-02 3.5780022E-01 -1.1008031E-01 22 1.6085284E+00 1.4085248E-06 2.6902652E-03 5.3461191E-01 -1.7194915E-01 23 8.2204937E-01 -4.1056372E-05 5.8759301E-04 2.7948883E-01 -1.0286255E-01 24 3.7962321E-01 8.9632145E-06 -3.5252262E-05 3.8100668E-02 1.4457965E-01 25 1.7493628E-01 -5.1301016E-06 1.4664216E-05 2.0833202E-04 4.3090742E-01 26 7.7726430E-02 2.4016680E-06 -1.4731731E-05 9.0358368E-04 4.5207525E-01 27 3.3744350E-02 -6.0276488E-07 2.0728463E-06 -8.1659809E-05 1.4789080E-01 3d 4d 1 1.8146443E+04 8.5608955E-06 -3.1734640E-06 2 4.6133170E+03 6.9054687E-05 -2.5661111E-05 3 1.6313708E+03 4.3438442E-04 -1.6136158E-04 4 6.8231586E+02 2.1914135E-03 -8.1711558E-04 5 3.1716834E+02 8.9976752E-03 -3.3650441E-03 6 1.5841390E+02 2.9673713E-02 -1.1178473E-02 7 8.2994569E+01 7.8957658E-02 -3.0054560E-02 8 4.5071562E+01 1.6666423E-01 -6.4276121E-02 9 2.5018308E+01 2.6689626E-01 -1.0098787E-01 10 1.4047922E+01 3.1655363E-01 -1.1356138E-01 11 7.9655373E+00 2.4371233E-01 -4.6517326E-02 12 4.4905065E+00 1.0246667E-01 1.3360036E-01 13 2.4753573E+00 1.9021813E-02 3.0951751E-01 14 1.3400768E+00 1.1820864E-03 3.5601925E-01 15 7.2142291E-01 1.3162764E-04 2.5518154E-01 16 3.9545442E-01 -2.9129989E-05 1.1152247E-01 17 2.1573367E-01 2.8773803E-06 3.2523297E-02 18 8.8334165E-02 -3.2742533E-06 2.6551481E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.9679550E+07 6.2796564E-07 -2.1530934E-07 9.5078703E-08 -4.1361321E-08 1.2433714E-08 2 2.1111952E+07 4.2757583E-06 -1.4660776E-06 6.4741479E-07 -2.8165007E-07 8.4665834E-08 3 7.1669636E+06 1.4679314E-05 -5.0339676E-06 2.2230093E-06 -9.6705396E-07 2.9070982E-07 4 2.6922571E+06 4.6047552E-05 -1.5794430E-05 6.9751406E-06 -3.0345254E-06 9.1219303E-07 5 1.0939261E+06 1.2899225E-04 -4.4260417E-05 1.9547055E-05 -8.5033936E-06 2.5562639E-06 6 4.6648190E+05 3.4759970E-04 -1.1934612E-04 5.2713455E-05 -2.2933892E-05 6.8940293E-06 7 2.0711902E+05 8.8942280E-04 -3.0572212E-04 1.3505307E-04 -5.8753432E-05 1.7662557E-05 8 9.4950649E+04 2.1982022E-03 -7.5718910E-04 3.3460027E-04 -1.4558958E-04 4.3765369E-05 9 4.4827047E+04 5.2119871E-03 -1.8023218E-03 7.9688483E-04 -3.4673494E-04 1.0424023E-04 10 2.1739911E+04 1.1884029E-02 -4.1397489E-03 1.8324038E-03 -7.9759059E-04 2.3977485E-04 11 1.0808631E+04 2.5892315E-02 -9.1424892E-03 4.0548691E-03 -1.7654145E-03 5.3081007E-04 12 5.4996837E+03 5.3317762E-02 -1.9302030E-02 8.5931653E-03 -3.7448573E-03 1.1260192E-03 13 2.8620699E+03 1.0134473E-01 -3.8373556E-02 1.7199238E-02 -7.5040779E-03 2.2571958E-03 14 1.5236558E+03 1.7116561E-01 -7.0147669E-02 3.1826183E-02 -1.3924566E-02 4.1896979E-03 15 8.3025497E+02 2.4141447E-01 -1.1308871E-01 5.2404565E-02 -2.3018702E-02 6.9330904E-03 16 4.6332252E+02 2.5749456E-01 -1.4778604E-01 7.0892784E-02 -3.1386615E-02 9.4618472E-03 17 2.6511834E+02 1.7911234E-01 -1.2391887E-01 6.2123596E-02 -2.7713937E-02 8.3790985E-03 18 1.5730929E+02 6.5445118E-02 1.9673241E-03 -3.7528434E-03 1.7727541E-03 -5.7206194E-04 19 1.0446732E+02 1.1407613E-02 1.3284407E-01 -8.6814374E-02 4.1166290E-02 -1.2496908E-02 20 7.1329590E+01 2.8338750E-03 3.0746315E-01 -2.3581810E-01 1.1516860E-01 -3.5474307E-02 21 4.4743352E+01 1.0466431E-04 4.0927613E-01 -3.9843028E-01 2.0517115E-01 -6.3443263E-02 22 2.7007722E+01 3.3981531E-05 2.4582914E-01 -2.6694641E-01 1.4278207E-01 -4.4900470E-02 23 1.5893325E+01 -6.2563567E-05 5.7198236E-02 2.0333999E-01 -1.2359400E-01 3.9315239E-02 24 9.7731771E+00 -1.7330064E-05 2.8934821E-03 5.9645708E-01 -5.3383698E-01 1.8592612E-01 25 6.0199525E+00 -1.2123070E-05 1.5842414E-03 4.3394328E-01 -5.4313054E-01 1.9768365E-01 26 3.7110616E+00 8.0162773E-06 -6.2723755E-04 1.2428352E-01 -1.6559854E-02 -1.2175704E-02 27 2.2706859E+00 -2.2561086E-06 1.6480236E-04 1.4822004E-02 5.0616071E-01 -2.2519009E-01 28 1.3424342E+00 4.6162782E-06 -1.7969385E-04 2.1828440E-03 6.2678256E-01 -3.6170151E-01 29 7.5165204E-01 -1.7586666E-06 3.4287257E-05 5.0564495E-04 2.6196805E-01 -2.6255956E-01 30 3.5062253E-01 1.3332308E-06 -1.9067890E-05 3.1722991E-05 1.9233029E-02 1.8128712E-01 31 1.8509389E-01 -1.0866308E-06 1.0592173E-05 -1.2519405E-05 -1.4636514E-03 5.5082178E-01 32 9.2119430E-02 6.2830746E-07 -3.6706664E-06 -3.8896688E-06 5.6518362E-04 4.5315792E-01 33 4.4348908E-02 -2.4211586E-07 1.0042909E-06 -1.2720981E-06 -6.2631326E-05 9.3307713E-02 2p 3p 4p 5p 1 4.3524067E+07 5.2985044E-09 -2.4448713E-09 1.0171187E-09 -2.3608659E-10 2 9.9362626E+06 4.0600202E-08 -1.8721595E-08 7.8021089E-09 -1.8127836E-09 3 2.6682617E+06 2.2749942E-07 -1.0509073E-07 4.3726176E-08 -1.0149365E-08 4 8.0036417E+05 1.1675580E-06 -5.3916017E-07 2.2475146E-07 -5.2221951E-08 5 2.6250825E+05 5.6171025E-06 -2.5989001E-06 1.0817940E-06 -2.5112369E-07 6 9.3697913E+04 2.5511466E-05 -1.1802732E-05 4.9208490E-06 -1.1433259E-06 7 3.5815467E+04 1.1018599E-04 -5.1072316E-05 2.1270499E-05 -4.9384648E-06 8 1.4582743E+04 4.4114997E-04 -2.0463696E-04 8.5344858E-05 -1.9828719E-05 9 6.3255199E+03 1.6109559E-03 -7.4974451E-04 3.1253606E-04 -7.2576389E-05 10 2.9056573E+03 5.3496164E-03 -2.5006291E-03 1.0443356E-03 -2.4267761E-04 11 1.4022722E+03 1.6046175E-02 -7.5757504E-03 3.1668525E-03 -7.3571496E-04 12 7.0514880E+02 4.3116263E-02 -2.0700658E-02 8.6896178E-03 -2.0207512E-03 13 3.6656695E+02 1.0118987E-01 -5.0067242E-02 2.1120128E-02 -4.9130547E-03 14 1.9557480E+02 1.9721950E-01 -1.0163016E-01 4.3265417E-02 -1.0082450E-02 15 1.0643468E+02 2.9636701E-01 -1.6108738E-01 6.9327425E-02 -1.6173092E-02 16 5.8879326E+01 2.9885654E-01 -1.5704047E-01 6.6990452E-02 -1.5618792E-02 17 3.2761215E+01 1.6687357E-01 1.8547450E-02 -2.2614220E-02 5.8350558E-03 18 1.8087021E+01 3.8543877E-02 3.2420454E-01 -1.9001562E-01 4.6299151E-02 19 1.0090743E+01 1.6202863E-03 4.7100566E-01 -3.1896817E-01 7.9992764E-02 20 5.6311244E+00 -3.6097377E-04 2.5703859E-01 -1.0562994E-01 2.1054627E-02 21 3.0577847E+00 -9.2796249E-04 4.7112881E-02 3.5767079E-01 -1.1003843E-01 22 1.6085284E+00 -5.9957954E-04 2.7338945E-03 5.3455627E-01 -1.7192642E-01 23 8.2204937E-01 -6.5892886E-04 6.2871231E-04 2.7943658E-01 -1.0285113E-01 24 3.7962321E-01 -4.7268552E-04 -1.9070987E-06 3.8043641E-02 1.4458544E-01 25 1.7493628E-01 -5.2914161E-04 4.9750408E-05 1.4416455E-04 4.3091596E-01 26 7.7726430E-02 -1.9214392E-04 -1.2097396E-06 8.7922876E-04 4.5207990E-01 27 3.3744350E-02 -6.1119956E-04 4.3365992E-05 -1.5685996E-04 1.4790284E-01 3d 4d 1 1.8146443E+04 3.5943058E-06 -1.3312620E-06 2 4.6133170E+03 4.9071851E-05 -1.8238640E-05 3 1.6313708E+03 3.7410844E-04 -1.3891650E-04 4 6.8231586E+02 2.0421194E-03 -7.6123626E-04 5 3.1716834E+02 8.6882520E-03 -3.2482483E-03 6 1.5841390E+02 2.9151781E-02 -1.0978870E-02 7 8.2994569E+01 7.8246738E-02 -2.9776191E-02 8 4.5071562E+01 1.6591606E-01 -6.3976577E-02 9 2.5018308E+01 2.6630161E-01 -1.0075379E-01 10 1.4047922E+01 3.1621677E-01 -1.1343992E-01 11 7.9655373E+00 2.4358022E-01 -4.6523827E-02 12 4.4905065E+00 1.0237831E-01 1.3353719E-01 13 2.4753573E+00 1.8946953E-02 3.0946776E-01 14 1.3400768E+00 1.1269186E-03 3.5599599E-01 15 7.2142291E-01 9.9426724E-05 2.5517337E-01 16 3.9545442E-01 -5.1671572E-05 1.1151714E-01 17 2.1573367E-01 -1.0291811E-05 3.2519227E-02 18 8.8334165E-02 -1.8544690E-05 2.6496612E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.9679550E+07 5.5487021E-05 -1.9300467E-05 8.5321453E-06 -3.7144661E-06 1.1164980E-06 2 2.1111952E+07 1.2975900E-04 -4.5168191E-05 1.9964896E-05 -8.6904915E-06 2.6120291E-06 3 7.1669636E+06 2.5256885E-04 -8.8024676E-05 3.8931678E-05 -1.6950272E-05 5.0953169E-06 4 2.6922571E+06 4.5938203E-04 -1.6020621E-04 7.0841674E-05 -3.0832992E-05 9.2672649E-06 5 1.0939261E+06 8.2071830E-04 -2.8681541E-04 1.2697750E-04 -5.5286974E-05 1.6621190E-05 6 4.6648190E+05 1.4576459E-03 -5.0975932E-04 2.2565065E-04 -9.8206595E-05 2.9518383E-05 7 2.0711902E+05 2.6186688E-03 -9.1845218E-04 4.0721896E-04 -1.7732106E-04 5.3315813E-05 8 9.4950649E+04 4.7945511E-03 -1.6846470E-03 7.4691979E-04 -3.2512249E-04 9.7749686E-05 9 4.4827047E+04 8.9822488E-03 -3.1738471E-03 1.4095619E-03 -6.1390441E-04 1.8463396E-04 10 2.1739911E+04 1.7148740E-02 -6.1054687E-03 2.7129208E-03 -1.1813042E-03 3.5509562E-04 11 1.0808631E+04 3.2917636E-02 -1.1905439E-02 5.3039787E-03 -2.3105256E-03 6.9466701E-04 12 5.4996837E+03 6.2002846E-02 -2.3013329E-02 1.0286217E-02 -4.4844952E-03 1.3484236E-03 13 2.8620699E+03 1.1072060E-01 -4.3063192E-02 1.9389048E-02 -8.4708198E-03 2.5488783E-03 14 1.5236558E+03 1.7890622E-01 -7.5366824E-02 3.4338159E-02 -1.5038110E-02 4.5257286E-03 15 8.3025497E+02 2.4452021E-01 -1.1788915E-01 5.4847345E-02 -2.4111499E-02 7.2635998E-03 16 4.6332252E+02 2.5495187E-01 -1.5057101E-01 7.2466841E-02 -3.2098792E-02 9.6773043E-03 17 2.6511834E+02 1.7438210E-01 -1.2375008E-01 6.2223458E-02 -2.7778025E-02 8.4000607E-03 18 1.5730929E+02 6.2629586E-02 4.3559117E-03 -5.1729513E-03 2.4358895E-03 -7.7500818E-04 19 1.0446732E+02 1.0577109E-02 1.3451136E-01 -8.8198419E-02 4.1837472E-02 -1.2700700E-02 20 7.1329590E+01 2.6106276E-03 3.0898891E-01 -2.3798899E-01 1.1634057E-01 -3.5842515E-02 21 4.4743352E+01 9.2894642E-05 4.0867632E-01 -3.9945594E-01 2.0580879E-01 -6.3644203E-02 22 2.7007722E+01 1.5218194E-05 2.4468049E-01 -2.6632636E-01 1.4250360E-01 -4.4819587E-02 23 1.5893325E+01 -5.7655497E-05 5.6750481E-02 2.0442141E-01 -1.2436981E-01 3.9571762E-02 24 9.7731771E+00 -3.6244028E-05 2.8473737E-03 5.9665474E-01 -5.3449810E-01 1.8618504E-01 25 6.0199525E+00 -4.3679659E-06 1.5563346E-03 4.3357388E-01 -5.4306607E-01 1.9766951E-01 26 3.7110616E+00 -4.9066702E-06 -6.1667904E-04 1.2410684E-01 -1.6304448E-02 -1.2290292E-02 27 2.2706859E+00 4.0355833E-06 1.5423055E-04 1.4795970E-02 5.0626601E-01 -2.2525860E-01 28 1.3424342E+00 -9.8857773E-07 -1.7498815E-04 2.1760186E-03 6.2673199E-01 -3.6172400E-01 29 7.5165204E-01 6.3274346E-07 3.1235298E-05 5.0566537E-04 2.6191554E-01 -2.6254559E-01 30 3.5062253E-01 -3.5657128E-07 -1.7736476E-05 3.0431686E-05 1.9226933E-02 1.8130273E-01 31 1.8509389E-01 6.3041770E-08 9.4626638E-06 -1.2013264E-05 -1.4653109E-03 5.5082338E-01 32 9.2119430E-02 -8.8428039E-08 -3.1528702E-06 -4.3340697E-06 5.6551497E-04 4.5315348E-01 33 4.4348908E-02 -5.8636856E-09 7.8913209E-07 -1.2463355E-06 -6.2638593E-05 9.3306036E-02 2p 3p 4p 5p 1 4.3524067E+07 1.0223106E-06 -4.6736765E-07 1.9404164E-07 -4.5023845E-08 2 9.9362626E+06 3.4355426E-06 -1.5728061E-06 6.5538504E-07 -1.5227114E-07 3 2.6682617E+06 9.0352529E-06 -4.1358232E-06 1.7171261E-06 -3.9841084E-07 4 8.0036417E+05 2.2262658E-05 -1.0210018E-05 4.2562080E-06 -9.8897575E-07 5 2.6250825E+05 5.3087393E-05 -2.4369848E-05 1.0122685E-05 -2.3488413E-06 6 9.3697913E+04 1.2638362E-04 -5.8177676E-05 2.4263575E-05 -5.6382972E-06 7 3.5815467E+04 3.1651480E-04 -1.4603356E-04 6.0729696E-05 -1.4094885E-05 8 1.4582743E+04 8.4010002E-04 -3.8899536E-04 1.6230940E-04 -3.7716287E-05 9 6.3255199E+03 2.3446487E-03 -1.0903741E-03 4.5431332E-04 -1.0548400E-04 10 2.9056573E+03 6.6337471E-03 -3.1037238E-03 1.2968726E-03 -3.0139744E-04 11 1.4022722E+03 1.8147619E-02 -8.5808046E-03 3.5876590E-03 -8.3347912E-04 12 7.0514880E+02 4.6240090E-02 -2.2247578E-02 9.3435884E-03 -2.1730036E-03 13 3.6656695E+02 1.0519045E-01 -5.2162061E-02 2.2012524E-02 -5.1209116E-03 14 1.9557480E+02 2.0129524E-01 -1.0394666E-01 4.4269701E-02 -1.0317109E-02 15 1.0643468E+02 2.9927319E-01 -1.6295384E-01 7.0155977E-02 -1.6367229E-02 16 5.8879326E+01 3.0002563E-01 -1.5771193E-01 6.7270304E-02 -1.5683738E-02 17 3.2761215E+01 1.6744543E-01 1.8961468E-02 -2.2911183E-02 5.9088272E-03 18 1.8087021E+01 3.9347554E-02 3.2474511E-01 -1.9045961E-01 4.6411635E-02 19 1.0090743E+01 2.4806124E-03 4.7098544E-01 -3.1916279E-01 8.0048123E-02 20 5.6311244E+00 4.0720674E-04 2.5677694E-01 -1.0541518E-01 2.0992678E-02 21 3.0577847E+00 -2.0028823E-04 4.7011889E-02 3.5788445E-01 -1.1010429E-01 22 1.6085284E+00 1.4570400E-06 2.6856115E-03 5.3463206E-01 -1.7195735E-01 23 8.2204937E-01 -4.1203406E-05 5.8770708E-04 2.7947984E-01 -1.0286103E-01 24 3.7962321E-01 8.9781284E-06 -3.5643417E-05 3.8097798E-02 1.4458422E-01 25 1.7493628E-01 -5.1534817E-06 1.4808483E-05 2.0782699E-04 4.3091027E-01 26 7.7726430E-02 2.4067879E-06 -1.4805787E-05 9.0367724E-04 4.5207543E-01 27 3.3744350E-02 -6.0420457E-07 2.0837557E-06 -8.1692207E-05 1.4789050E-01 3d 4d 1 1.8146443E+04 9.3249476E-06 -3.4513059E-06 2 4.6133170E+03 7.2060650E-05 -2.6776997E-05 3 1.6313708E+03 4.4506215E-04 -1.6525583E-04 4 6.8231586E+02 2.2260673E-03 -8.2996575E-04 5 3.1716834E+02 9.0891899E-03 -3.3990038E-03 6 1.5841390E+02 2.9859970E-02 -1.1248580E-02 7 8.2994569E+01 7.9250084E-02 -3.0166875E-02 8 4.5071562E+01 1.6701273E-01 -6.4414163E-02 9 2.5018308E+01 2.6717907E-01 -1.0109709E-01 10 1.4047922E+01 3.1670396E-01 -1.1362145E-01 11 7.9655373E+00 2.4373064E-01 -4.6506255E-02 12 4.4905065E+00 1.0244977E-01 1.3365239E-01 13 2.4753573E+00 1.9014964E-02 3.0955423E-01 14 1.3400768E+00 1.1813618E-03 3.5603329E-01 15 7.2142291E-01 1.3145536E-04 2.5518272E-01 16 3.9545442E-01 -2.9110365E-05 1.1152132E-01 17 2.1573367E-01 2.8591412E-06 3.2522853E-02 18 8.8334165E-02 -3.2722212E-06 2.6551006E-03 ** Sb 121 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.9618374E+07 2.1453194E-05 -7.3954256E-06 3.2812021E-06 -1.4456201E-06 4.6031078E-07 2 2.1177085E+07 5.3025470E-05 -1.8313747E-05 8.1276143E-06 -3.5810584E-06 1.1402720E-06 3 7.2485942E+06 1.1218498E-04 -3.8823468E-05 1.7234875E-05 -7.5941191E-06 2.4181693E-06 4 2.7577612E+06 2.1975949E-04 -7.6282453E-05 3.3878310E-05 -1.4929217E-05 4.7538121E-06 5 1.1432960E+06 4.2746678E-04 -1.4888170E-04 6.6153882E-05 -2.9154305E-05 9.2839563E-06 6 4.9984472E+05 8.2805732E-04 -2.8963375E-04 1.2877018E-04 -5.6758669E-05 1.8073742E-05 7 2.2794588E+05 1.6246881E-03 -5.7090034E-04 2.5399607E-04 -1.1196481E-04 3.5656761E-05 8 1.0719236E+05 3.2219560E-03 -1.1383731E-03 5.0683913E-04 -2.2347111E-04 7.1162539E-05 9 5.1736853E+04 6.4501692E-03 -2.2935730E-03 1.0221688E-03 -4.5073595E-04 1.4355617E-04 10 2.5533233E+04 1.2931105E-02 -4.6386931E-03 2.0698099E-03 -9.1303118E-04 2.9076414E-04 11 1.2869247E+04 2.5647152E-02 -9.3220164E-03 4.1679496E-03 -1.8390848E-03 5.8582628E-04 12 6.6203355E+03 4.9510958E-02 -1.8399082E-02 8.2526964E-03 -3.6444371E-03 1.1608014E-03 13 3.4739086E+03 9.0932667E-02 -3.5105721E-02 1.5838789E-02 -7.0016339E-03 2.2312093E-03 14 1.8579647E+03 1.5331877E-01 -6.3293948E-02 2.8845651E-02 -1.2781202E-02 4.0732203E-03 15 1.0128426E+03 2.2373549E-01 -1.0354245E-01 4.8053464E-02 -2.1365463E-02 6.8169022E-03 16 5.6377274E+02 2.5697699E-01 -1.4255575E-01 6.8153079E-02 -3.0507486E-02 9.7380864E-03 17 3.2132444E+02 2.0311485E-01 -1.3887122E-01 6.9259408E-02 -3.1249466E-02 1.0007470E-02 18 1.8810067E+02 9.2555733E-02 -3.9091373E-02 1.8705802E-02 -8.4697680E-03 2.6805364E-03 19 1.1409331E+02 1.9588316E-02 1.5952246E-01 -1.0434317E-01 4.9914059E-02 -1.6071100E-02 20 7.0879649E+01 2.1437515E-03 3.5320245E-01 -2.8117118E-01 1.4035705E-01 -4.5911784E-02 21 4.4468904E+01 4.9723778E-06 3.7917463E-01 -3.8047081E-01 1.9996039E-01 -6.5522299E-02 22 2.7719925E+01 1.1862680E-04 2.1834050E-01 -2.4053584E-01 1.3066357E-01 -4.3951351E-02 23 1.7243248E+01 -1.4059754E-04 5.5292333E-02 1.7044189E-01 -1.0251896E-01 3.4955657E-02 24 1.0891505E+01 4.8372966E-05 6.5546313E-03 5.3806204E-01 -4.7324582E-01 1.7320545E-01 25 7.0155628E+00 -6.1513615E-05 4.5726069E-04 4.5009323E-01 -5.4218245E-01 2.1202692E-01 26 4.5139653E+00 3.2640315E-05 2.0881570E-04 1.8540628E-01 -1.8394676E-01 5.6359283E-02 27 2.7836408E+00 -1.1563368E-05 -2.4833200E-04 3.1228850E-02 4.1559783E-01 -1.9353244E-01 28 1.6095789E+00 7.5732325E-06 -2.6176720E-05 3.1990896E-03 7.0708166E-01 -4.1396120E-01 29 8.8937840E-01 -1.8991677E-06 -3.6503718E-05 6.6519530E-04 3.3459174E-01 -3.3564049E-01 30 4.1643195E-01 8.9440539E-07 8.2086949E-06 3.5429091E-05 2.7918685E-02 1.7043020E-01 31 2.2300726E-01 -5.1701754E-07 -3.3183284E-06 -2.6626216E-05 -2.1499027E-03 5.7384663E-01 32 1.1134555E-01 1.6292819E-07 2.0527705E-06 -6.1127806E-06 8.6602328E-04 4.6361075E-01 33 5.3554385E-02 -4.1772497E-08 -2.7136319E-07 -2.3003879E-06 -8.7794870E-05 9.3096995E-02 2p 3p 4p 5p 1 4.4622198E+07 1.2025491E-06 -5.5751091E-07 2.3605715E-07 -6.0764030E-08 2 1.0157524E+07 3.9382619E-06 -1.8258623E-06 7.7312036E-07 -1.9902719E-07 3 2.7371358E+06 9.9444382E-06 -4.6112193E-06 1.9524931E-06 -5.0257767E-07 4 8.2907697E+05 2.3264526E-05 -1.0790161E-05 4.5693201E-06 -1.1764036E-06 5 2.7481569E+05 5.3055664E-05 -2.4624465E-05 1.0427886E-05 -2.6838820E-06 6 9.8181287E+04 1.2333694E-04 -5.7301541E-05 2.4275176E-05 -6.2514047E-06 7 3.7497253E+04 3.0313231E-04 -1.4114063E-04 5.9800572E-05 -1.5388553E-05 8 1.5293286E+04 8.0296292E-04 -3.7479810E-04 1.5893680E-04 -4.0946985E-05 9 6.6369328E+03 2.2543157E-03 -1.0566690E-03 4.4824316E-04 -1.1534285E-04 10 3.0525593E+03 6.3921945E-03 -3.0121188E-03 1.2797265E-03 -3.2984197E-04 11 1.4758298E+03 1.7564985E-02 -8.3613233E-03 3.5574305E-03 -9.1574409E-04 12 7.4256019E+02 4.5054691E-02 -2.1811155E-02 9.3157224E-03 -2.4031879E-03 13 3.8608503E+02 1.0311087E-01 -5.1420300E-02 2.2078001E-02 -5.6907941E-03 14 2.0599757E+02 1.9870007E-01 -1.0316094E-01 4.4684497E-02 -1.1555010E-02 15 1.1208377E+02 2.9756450E-01 -1.6283803E-01 7.1344563E-02 -1.8437568E-02 16 6.1996060E+01 3.0058328E-01 -1.5903811E-01 6.8980115E-02 -1.7873305E-02 17 3.4505058E+01 1.6924930E-01 1.6709496E-02 -2.2328427E-02 6.5347971E-03 18 1.9077673E+01 4.0209817E-02 3.2353674E-01 -1.9437574E-01 5.2549070E-02 19 1.0678008E+01 2.5674133E-03 4.7074048E-01 -3.2578231E-01 9.1354490E-02 20 5.9815711E+00 4.0337596E-04 2.5745240E-01 -1.0708686E-01 2.2728789E-02 21 3.2745073E+00 -2.0685086E-04 4.8061577E-02 3.5879157E-01 -1.2302646E-01 22 1.7395863E+00 5.7538805E-07 2.9514981E-03 5.3875326E-01 -1.9928097E-01 23 9.0001119E-01 -4.1767977E-05 5.3510263E-04 2.7724986E-01 -1.1039597E-01 24 4.1904814E-01 9.8908306E-06 -2.8524520E-05 3.6440225E-02 1.8710685E-01 25 1.9867809E-01 -5.3824701E-06 2.3878166E-06 2.0059446E-04 4.5433187E-01 26 9.0720889E-02 2.6846241E-06 -1.3710466E-05 1.0321310E-03 4.1924256E-01 27 4.0180696E-02 -6.0432768E-07 3.8678849E-07 -4.9653752E-05 1.2324136E-01 3d 4d 1 2.0282877E+04 7.9907788E-06 -3.0765845E-06 2 5.1334551E+03 6.3104462E-05 -2.4361132E-05 3 1.8082527E+03 3.9412778E-04 -1.5206345E-04 4 7.5432154E+02 1.9888148E-03 -7.7033859E-04 5 3.4997595E+02 8.2165537E-03 -3.1914468E-03 6 1.7461745E+02 2.7405257E-02 -1.0723411E-02 7 9.1452333E+01 7.3916689E-02 -2.9211305E-02 8 4.9662156E+01 1.5898588E-01 -6.3740669E-02 9 2.7590058E+01 2.6040212E-01 -1.0271086E-01 10 1.5508740E+01 3.1689451E-01 -1.1904778E-01 11 8.8099266E+00 2.5254957E-01 -5.6074130E-02 12 4.9815947E+00 1.1101496E-01 1.2660916E-01 13 2.7585584E+00 2.1838940E-02 3.1223809E-01 14 1.5037301E+00 1.3776689E-03 3.6365030E-01 15 8.1880380E-01 1.4952553E-04 2.5221083E-01 16 4.6153714E-01 -4.5553954E-05 1.0275284E-01 17 2.6188458E-01 3.3777565E-06 3.2574209E-02 18 1.0878786E-01 -5.0867525E-06 2.9970986E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.9618374E+07 6.6753888E-07 -2.2976411E-07 1.0192004E-07 -4.4901042E-08 1.4297402E-08 2 2.1177085E+07 4.5181507E-06 -1.5552123E-06 6.8986081E-07 -3.0392818E-07 9.6772655E-08 3 7.2485942E+06 1.5245250E-05 -5.2483094E-06 2.3281499E-06 -1.0256678E-06 3.2659786E-07 4 2.7577612E+06 4.6754797E-05 -1.6099660E-05 7.1418049E-06 -3.1464999E-06 1.0018477E-06 5 1.1432960E+06 1.2634351E-04 -4.3519586E-05 1.9307088E-05 -8.5057825E-06 2.7085165E-06 6 4.9984472E+05 3.2850205E-04 -1.1322873E-04 5.0235009E-05 -2.2133245E-05 7.0471276E-06 7 2.2794588E+05 8.1114067E-04 -2.7987049E-04 1.2419414E-04 -5.4716137E-05 1.7423907E-05 8 1.0719236E+05 1.9469158E-03 -6.7309407E-04 2.9875579E-04 -1.3164375E-04 4.1914731E-05 9 5.1736853E+04 4.5144419E-03 -1.5661250E-03 6.9554639E-04 -3.0648436E-04 9.7602278E-05 10 2.5533233E+04 1.0144979E-02 -3.5425162E-03 1.5746941E-03 -6.9409560E-04 2.2100527E-04 11 1.2869247E+04 2.1896136E-02 -7.7360557E-03 3.4451896E-03 -1.5189213E-03 4.8377460E-04 12 6.6203355E+03 4.4976719E-02 -1.6237448E-02 7.2539341E-03 -3.2007787E-03 1.0193206E-03 13 3.4739086E+03 8.6311901E-02 -3.2378447E-02 1.4551199E-02 -6.4272585E-03 2.0478858E-03 14 1.8579647E+03 1.5004209E-01 -6.0237562E-02 2.7350608E-02 -1.2109654E-02 3.8586290E-03 15 1.0128426E+03 2.2349748E-01 -1.0071525E-01 4.6582543E-02 -2.0697102E-02 6.6028398E-03 16 5.6377274E+02 2.6018854E-01 -1.4081434E-01 6.7126718E-02 -3.0030827E-02 9.5848684E-03 17 3.2132444E+02 2.0731655E-01 -1.3881594E-01 6.9115142E-02 -3.1174114E-02 9.9826891E-03 18 1.8810067E+02 9.4916133E-02 -4.0356929E-02 1.9524386E-02 -8.8582298E-03 2.8060792E-03 19 1.1409331E+02 2.0113705E-02 1.5823869E-01 -1.0297344E-01 4.9211795E-02 -1.5841433E-02 20 7.0879649E+01 2.2167081E-03 3.5314093E-01 -2.8002715E-01 1.3968610E-01 -4.5686711E-02 21 4.4468904E+01 -1.8592362E-05 3.8013840E-01 -3.8022357E-01 1.9974951E-01 -6.5449112E-02 22 2.7719925E+01 1.4343186E-04 2.1910401E-01 -2.4093566E-01 1.3087951E-01 -4.4021312E-02 23 1.7243248E+01 -1.6656664E-04 5.5529822E-02 1.6992340E-01 -1.0204705E-01 3.4783758E-02 24 1.0891505E+01 7.3566598E-05 6.5631201E-03 5.3811860E-01 -4.7290768E-01 1.7305734E-01 25 7.0155628E+00 -8.4287495E-05 4.7054388E-04 4.5038814E-01 -5.4221430E-01 2.1202860E-01 26 4.5139653E+00 4.9304352E-05 2.0001776E-04 1.8556329E-01 -1.8408091E-01 5.6426437E-02 27 2.7836408E+00 -2.1349403E-05 -2.4350844E-04 3.1251965E-02 4.1554340E-01 -1.9348081E-01 28 1.6095789E+00 1.2853262E-05 -2.9112667E-05 3.2023526E-03 7.0714338E-01 -4.1394388E-01 29 8.8937840E-01 -4.6204629E-06 -3.5033526E-05 6.6458118E-04 3.3463949E-01 -3.3565101E-01 30 4.1643195E-01 2.5589540E-06 7.2802549E-06 3.5981071E-05 2.7922650E-02 1.7042182E-01 31 2.2300726E-01 -1.7652999E-06 -2.6068920E-06 -2.7054701E-05 -2.1501426E-03 5.7385023E-01 32 1.1134555E-01 8.5067962E-07 1.6574774E-06 -5.8830031E-06 8.6606129E-04 4.6361484E-01 33 5.3554385E-02 -2.8884707E-07 -1.2754919E-07 -2.3844765E-06 -8.7783547E-05 9.3098305E-02 2p 3p 4p 5p 1 4.4622198E+07 5.6139840E-09 -2.6053850E-09 1.1027368E-09 -2.8341116E-10 2 1.0157524E+07 4.3341849E-08 -2.0104264E-08 8.5184969E-09 -2.1965804E-09 3 2.7371358E+06 2.4001603E-07 -1.1151542E-07 4.7207022E-08 -1.2131253E-08 4 8.2907697E+05 1.2018336E-06 -5.5829126E-07 2.3662640E-07 -6.1022093E-08 5 2.7481569E+05 5.6890605E-06 -2.6476248E-06 1.1212245E-06 -2.8819921E-07 6 9.8181287E+04 2.5858456E-05 -1.2035198E-05 5.1022218E-06 -1.3153979E-06 7 3.7497253E+04 1.1091145E-04 -5.1714674E-05 2.1911191E-05 -5.6345415E-06 8 1.5293286E+04 4.4118381E-04 -2.0589318E-04 8.7321565E-05 -2.2506728E-05 9 6.6369328E+03 1.6067131E-03 -7.5226491E-04 3.1901145E-04 -8.2064487E-05 10 3.0525593E+03 5.3030459E-03 -2.4939010E-03 1.0592056E-03 -2.7302700E-04 11 1.4758298E+03 1.5861223E-02 -7.5330544E-03 3.2035221E-03 -8.2452072E-04 12 7.4256019E+02 4.2640610E-02 -2.0593177E-02 8.7916760E-03 -2.2679392E-03 13 3.8608503E+02 1.0016574E-01 -4.9842803E-02 2.1391610E-02 -5.5133839E-03 14 2.0599757E+02 1.9581319E-01 -1.0147895E-01 4.3941798E-02 -1.1362557E-02 15 1.1208377E+02 2.9552690E-01 -1.6152136E-01 7.0751915E-02 -1.8283625E-02 16 6.1996060E+01 2.9960189E-01 -1.5853396E-01 6.8779260E-02 -1.7822227E-02 17 3.4505058E+01 1.6847737E-01 1.6577521E-02 -2.2167440E-02 6.4885013E-03 18 1.9077673E+01 3.9267534E-02 3.2335644E-01 -1.9412096E-01 5.2474524E-02 19 1.0678008E+01 1.6491067E-03 4.7090442E-01 -3.2571927E-01 9.1331336E-02 20 5.9815711E+00 -3.9413852E-04 2.5766609E-01 -1.0724855E-01 2.2781641E-02 21 3.2745073E+00 -9.6554700E-04 4.8142441E-02 3.5865135E-01 -1.2297547E-01 22 1.7395863E+00 -6.1481752E-04 2.9957345E-03 5.3869564E-01 -1.9925291E-01 23 9.0001119E-01 -6.9425286E-04 5.7780340E-04 2.7719450E-01 -1.1038372E-01 24 4.1904814E-01 -4.7753462E-04 4.7156149E-06 3.6380839E-02 1.8711264E-01 25 1.9867809E-01 -5.6349816E-04 3.9141376E-05 1.3052912E-04 4.5434246E-01 26 9.0720889E-02 -1.7120411E-04 -1.7648947E-06 1.0096196E-03 4.1924752E-01 27 4.0180696E-02 -6.7019077E-04 4.4947476E-05 -1.3433762E-04 1.2325587E-01 3d 4d 1 2.0282877E+04 3.1718970E-06 -1.2199965E-06 2 5.1334551E+03 4.3574175E-05 -1.6826041E-05 3 1.8082527E+03 3.3482470E-04 -1.2912757E-04 4 7.5432154E+02 1.8409054E-03 -7.1284281E-04 5 3.4997595E+02 7.9066049E-03 -3.0699507E-03 6 1.7461745E+02 2.6874380E-02 -1.0512605E-02 7 9.1452333E+01 7.3180277E-02 -2.8912047E-02 8 4.9662156E+01 1.5819227E-01 -6.3410222E-02 9 2.7590058E+01 2.5975613E-01 -1.0244553E-01 10 1.5508740E+01 3.1651778E-01 -1.1890444E-01 11 8.8099266E+00 2.5240208E-01 -5.6075583E-02 12 4.9815947E+00 1.1092055E-01 1.2653863E-01 13 2.7585584E+00 2.1758633E-02 3.1218086E-01 14 1.5037301E+00 1.3170622E-03 3.6362416E-01 15 8.1880380E-01 1.1517309E-04 2.5220271E-01 16 4.6153714E-01 -7.0486954E-05 1.0274679E-01 17 2.6188458E-01 -1.0796678E-05 3.2569730E-02 18 1.0878786E-01 -2.3353582E-05 2.9902502E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.9618374E+07 5.9705981E-05 -2.0846758E-05 9.2571450E-06 -4.0811469E-06 1.2994128E-06 2 2.1177085E+07 1.3860957E-04 -4.8449150E-05 2.1514904E-05 -9.4851091E-06 3.0196648E-06 3 7.2485942E+06 2.6676930E-04 -9.3312400E-05 4.1451848E-05 -1.8274884E-05 5.8192361E-06 4 2.7577612E+06 4.7680044E-04 -1.6702367E-04 7.4205883E-05 -3.2713500E-05 1.0414244E-05 5 1.1432960E+06 8.3186748E-04 -2.9177094E-04 1.2972772E-04 -5.7192543E-05 1.8214440E-05 6 4.9984472E+05 1.4375621E-03 -5.0516999E-04 2.2467878E-04 -9.9047693E-05 3.1531665E-05 7 2.2794588E+05 2.5107856E-03 -8.8398530E-04 3.9361351E-04 -1.7353537E-04 5.5275144E-05 8 1.0719236E+05 4.4674491E-03 -1.5775909E-03 7.0277315E-04 -3.0984771E-04 9.8648995E-05 9 5.1736853E+04 8.1548152E-03 -2.8920095E-03 1.2900158E-03 -5.6884308E-04 1.8121295E-04 10 2.5533233E+04 1.5223557E-02 -5.4405693E-03 2.4287620E-03 -1.0712429E-03 3.4109532E-04 11 1.2869247E+04 2.8697705E-02 -1.0390507E-02 4.6484707E-03 -2.0509165E-03 6.5338567E-04 12 6.6203355E+03 5.3496280E-02 -1.9822202E-02 8.8936973E-03 -3.9271947E-03 1.2507279E-03 13 3.4739086E+03 9.5863498E-02 -3.6959885E-02 1.6683774E-02 -7.3755768E-03 2.3506241E-03 14 1.8579647E+03 1.5868372E-01 -6.5554340E-02 2.9890997E-02 -1.3245372E-02 4.2210045E-03 15 1.0128426E+03 2.2820874E-01 -1.0593161E-01 4.9202230E-02 -2.1879362E-02 6.9815769E-03 16 5.6377274E+02 2.5893862E-01 -1.4444729E-01 6.9133998E-02 -3.0953751E-02 9.8805628E-03 17 3.2132444E+02 2.0246849E-01 -1.3949462E-01 6.9697855E-02 -3.1457481E-02 1.0075709E-02 18 1.8810067E+02 9.1204302E-02 -3.8268811E-02 1.8390287E-02 -8.3390131E-03 2.6381108E-03 19 1.1409331E+02 1.8910971E-02 1.6111247E-01 -1.0525240E-01 5.0340667E-02 -1.6206524E-02 20 7.0879649E+01 1.9608904E-03 3.5440187E-01 -2.8227463E-01 1.4092677E-01 -4.6101425E-02 21 4.4468904E+01 -5.4650970E-05 3.7936860E-01 -3.8100291E-01 2.0027945E-01 -6.5626536E-02 22 2.7719925E+01 9.7815651E-05 2.1802418E-01 -2.4035011E-01 1.3060471E-01 -4.3938862E-02 23 1.7243248E+01 -1.5225068E-04 5.5078449E-02 1.7102150E-01 -1.0281664E-01 3.5055046E-02 24 1.0891505E+01 4.3851647E-05 6.5019598E-03 5.3842252E-01 -4.7364378E-01 1.7335678E-01 25 7.0155628E+00 -6.5489000E-05 4.4034392E-04 4.5005172E-01 -5.4224722E-01 2.1206128E-01 26 4.5139653E+00 3.0982351E-05 2.0460430E-04 1.8532318E-01 -1.8383620E-01 5.6311510E-02 27 2.7836408E+00 -1.2913576E-05 -2.5047463E-04 3.1196055E-02 4.1573515E-01 -1.9358766E-01 28 1.6095789E+00 7.0134294E-06 -2.6603925E-05 3.1931982E-03 7.0710792E-01 -4.1398730E-01 29 8.8937840E-01 -2.2087139E-06 -3.6890413E-05 6.6272000E-04 3.3457001E-01 -3.3563498E-01 30 4.1643195E-01 7.9822047E-07 7.9943553E-06 3.4922834E-05 2.7913067E-02 1.7044311E-01 31 2.2300726E-01 -5.6950032E-07 -3.4848077E-06 -2.6841939E-05 -2.1521206E-03 5.7385187E-01 32 1.1134555E-01 1.3802327E-07 1.9659871E-06 -6.1728220E-06 8.6655818E-04 4.6360913E-01 33 5.3554385E-02 -5.9586285E-08 -2.9137323E-07 -2.4350663E-06 -8.7828755E-05 9.3096244E-02 2p 3p 4p 5p 1 4.4622198E+07 1.0698830E-06 -4.9186650E-07 2.0772119E-07 -5.3371716E-08 2 1.0157524E+07 3.6662646E-06 -1.6882250E-06 7.1533077E-07 -1.8442752E-07 3 2.7371358E+06 9.5347281E-06 -4.3893750E-06 1.8537659E-06 -4.7622280E-07 4 8.2907697E+05 2.3166683E-05 -1.0686379E-05 4.5299835E-06 -1.1682159E-06 5 2.7481569E+05 5.4973082E-05 -2.5379555E-05 1.0723599E-05 -2.7548910E-06 6 9.8181287E+04 1.3160214E-04 -6.0940405E-05 2.5844748E-05 -6.6651580E-06 7 3.7497253E+04 3.2655357E-04 -1.5155347E-04 6.4113976E-05 -1.6477183E-05 8 1.5293286E+04 8.5747594E-04 -3.9943525E-04 1.6948840E-04 -4.3701478E-05 9 6.6369328E+03 2.3722145E-03 -1.1098119E-03 4.7040404E-04 -1.2097033E-04 10 3.0525593E+03 6.6354518E-03 -3.1234851E-03 1.3273216E-03 -3.4222020E-04 11 1.4758298E+03 1.8040443E-02 -8.5814957E-03 3.6501070E-03 -9.3940953E-04 12 7.4256019E+02 4.5886440E-02 -2.2209836E-02 9.4868266E-03 -2.4475661E-03 13 3.8608503E+02 1.0433079E-01 -5.2035665E-02 2.2342155E-02 -5.7585920E-03 14 2.0599757E+02 2.0007729E-01 -1.0391556E-01 4.5016488E-02 -1.1641398E-02 15 1.1208377E+02 2.9858547E-01 -1.6349493E-01 7.1643952E-02 -1.8515027E-02 16 6.1996060E+01 3.0083900E-01 -1.5925249E-01 6.9084069E-02 -1.7901166E-02 17 3.4505058E+01 1.6907247E-01 1.7013280E-02 -2.2486328E-02 6.5772506E-03 18 1.9077673E+01 4.0098532E-02 3.2393481E-01 -1.9460703E-01 5.2611294E-02 19 1.0678008E+01 2.5457925E-03 4.7088591E-01 -3.2593049E-01 9.1399210E-02 20 5.9815711E+00 4.0120312E-04 2.5739036E-01 -1.0701620E-01 2.2705652E-02 21 3.2745073E+00 -2.0795048E-04 4.8035829E-02 3.5888318E-01 -1.2305511E-01 22 1.7395863E+00 6.2528934E-07 2.9463474E-03 5.3877593E-01 -1.9929237E-01 23 9.0001119E-01 -4.1931429E-05 5.3521712E-04 2.7723943E-01 -1.1039313E-01 24 4.1904814E-01 9.9105501E-06 -2.8967267E-05 3.6437108E-02 1.8711311E-01 25 1.9867809E-01 -5.4104127E-06 2.5575589E-06 1.9992891E-04 4.5433502E-01 26 9.0720889E-02 2.6905789E-06 -1.3796782E-05 1.0322776E-03 4.1924252E-01 27 4.0180696E-02 -6.0582264E-07 3.9686306E-07 -4.9696257E-05 1.2324101E-01 3d 4d 1 2.0282877E+04 8.7349765E-06 -3.3576276E-06 2 5.1334551E+03 6.6067369E-05 -2.5503668E-05 3 1.8082527E+03 4.0453627E-04 -1.5600579E-04 4 7.5432154E+02 2.0225733E-03 -7.8333587E-04 5 3.4997595E+02 8.3066465E-03 -3.2261591E-03 6 1.7461745E+02 2.7592213E-02 -1.0796472E-02 7 9.1452333E+01 7.4216038E-02 -2.9330542E-02 8 4.9662156E+01 1.5935292E-01 -6.3891812E-02 9 2.7590058E+01 2.6071057E-01 -1.0283515E-01 10 1.5508740E+01 3.1706588E-01 -1.1911903E-01 11 8.8099266E+00 2.5257570E-01 -5.6066344E-02 12 4.9815947E+00 1.1099663E-01 1.2666705E-01 13 2.7585584E+00 2.1830802E-02 3.1228079E-01 14 1.5037301E+00 1.3766807E-03 3.6366693E-01 15 8.1880380E-01 1.4934246E-04 2.5221163E-01 16 4.6153714E-01 -4.5547844E-05 1.0275131E-01 17 2.6188458E-01 3.3594246E-06 3.2573724E-02 18 1.0878786E-01 -5.0857277E-06 2.9970413E-03 ** Te 130 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.6492197E+07 2.3943608E-05 -8.2864770E-06 3.6924886E-06 -1.6465628E-06 5.4864544E-07 2 2.0354226E+07 5.9106115E-05 -2.0496057E-05 9.1356868E-06 -4.0740905E-06 1.3575333E-06 3 6.9801128E+06 1.2438945E-04 -4.3223675E-05 1.9271984E-05 -8.5947885E-06 2.8638996E-06 4 2.6669223E+06 2.4190958E-04 -8.4326132E-05 3.7614748E-05 -1.6777223E-05 5.5905493E-06 5 1.1105731E+06 4.6855366E-04 -1.6389950E-04 7.3147503E-05 -3.2627832E-05 1.0872403E-05 6 4.8718994E+05 9.0284292E-04 -3.1721822E-04 1.4165859E-04 -6.3199707E-05 2.1060652E-05 7 2.2330104E+05 1.7520158E-03 -6.1851493E-04 2.7640685E-04 -1.2332366E-04 4.1096385E-05 8 1.0593516E+05 3.4165727E-03 -1.2130243E-03 5.4249799E-04 -2.4211223E-04 8.0686943E-05 9 5.1724705E+04 6.7283195E-03 -2.4044892E-03 1.0764456E-03 -4.8043644E-04 1.6011053E-04 10 2.5788987E+04 1.3361812E-02 -4.8184545E-03 2.1598049E-03 -9.6438599E-04 3.2142613E-04 11 1.3073998E+04 2.6414037E-02 -9.6534809E-03 4.3360527E-03 -1.9365302E-03 6.4544908E-04 12 6.7423097E+03 5.0794070E-02 -1.8988551E-02 8.5570109E-03 -3.8252652E-03 1.2752382E-03 13 3.5457539E+03 9.2558899E-02 -3.5963724E-02 1.6304097E-02 -7.2953056E-03 2.4324108E-03 14 1.9022028E+03 1.5479499E-01 -6.4360745E-02 2.9477813E-02 -1.3223553E-02 4.4113889E-03 15 1.0386890E+03 2.2544734E-01 -1.0514305E-01 4.9052801E-02 -2.2078394E-02 7.3697103E-03 16 5.7613341E+02 2.5976114E-01 -1.4556055E-01 6.9997415E-02 -3.1735284E-02 1.0609056E-02 17 3.2452020E+02 2.0364142E-01 -1.3995333E-01 7.0266492E-02 -3.2098292E-02 1.0744160E-02 18 1.8605667E+02 8.5983364E-02 -2.4938191E-02 1.0672883E-02 -4.8643875E-03 1.6316172E-03 19 1.1625598E+02 1.3160403E-02 1.5403225E-01 -1.0164567E-01 4.9508137E-02 -1.6788615E-02 20 7.7567752E+01 4.0602174E-03 2.8976892E-01 -2.2821255E-01 1.1472845E-01 -3.9129984E-02 21 5.0227335E+01 -7.8545313E-04 3.9329536E-01 -3.8117110E-01 2.0181007E-01 -6.9504769E-02 22 3.0679129E+01 5.4643899E-04 2.5910864E-01 -2.9322981E-01 1.6138343E-01 -5.6201166E-02 23 1.8219517E+01 -3.9953814E-04 6.5321259E-02 1.7784403E-01 -1.1029021E-01 3.8609182E-02 24 1.1003739E+01 2.4931119E-04 4.4927035E-03 6.1936011E-01 -5.7325018E-01 2.2416204E-01 25 6.7263135E+00 -2.5294834E-04 1.2190447E-03 4.3162435E-01 -5.5361200E-01 2.2537628E-01 26 4.3618858E+00 2.1950391E-04 -5.1602032E-04 1.1668356E-01 -5.7781015E-02 6.5172963E-03 27 2.9888651E+00 -1.2997170E-04 1.0982271E-04 2.8211486E-02 3.4229311E-01 -1.6493080E-01 28 1.8133791E+00 5.0270696E-05 -1.5325863E-04 3.5721357E-03 7.1053870E-01 -4.3334632E-01 29 1.0174645E+00 -1.5983100E-05 1.1955211E-06 8.8142335E-04 3.7675548E-01 -3.8795010E-01 30 5.0000296E-01 6.1168990E-06 -6.7709256E-06 -1.6037520E-05 3.7140250E-02 1.4500914E-01 31 2.6744553E-01 -2.9440323E-06 5.0794766E-06 -1.5127352E-05 -1.5523143E-03 5.9350699E-01 32 1.3317982E-01 9.6540125E-07 -3.9430839E-07 -1.9844347E-05 8.9101633E-04 4.8542472E-01 33 6.3740378E-02 -2.1622520E-07 3.7243450E-07 -1.3198737E-06 -5.1560236E-05 9.7394285E-02 2p 3p 4p 5p 1 4.3647500E+07 1.3040428E-06 -6.0795297E-07 2.6156273E-07 -7.2665516E-08 2 1.0068222E+07 4.2506667E-06 -1.9817651E-06 8.5263051E-07 -2.3689289E-07 3 2.7366605E+06 1.0703050E-05 -4.9908333E-06 2.1473167E-06 -5.9652979E-07 4 8.3320193E+05 2.5001179E-05 -1.1661059E-05 5.0174317E-06 -1.3941659E-06 5 2.7675245E+05 5.7045397E-05 -2.6625437E-05 1.1457774E-05 -3.1826482E-06 6 9.8938721E+04 1.3244448E-04 -6.1885796E-05 2.6636923E-05 -7.4034365E-06 7 3.7787188E+04 3.2571345E-04 -1.5252429E-04 6.5678153E-05 -1.8240435E-05 8 1.5379760E+04 8.6384499E-04 -4.0562087E-04 1.7475274E-04 -4.8592093E-05 9 6.6610992E+03 2.4257039E-03 -1.1438256E-03 4.9320886E-04 -1.3697344E-04 10 3.0544978E+03 6.8995972E-03 -3.2720885E-03 1.4124443E-03 -3.9293487E-04 11 1.4722820E+03 1.8934920E-02 -9.0742067E-03 3.9252209E-03 -1.0905584E-03 12 7.4029926E+02 4.8157260E-02 -2.3492955E-02 1.0197877E-02 -2.8398477E-03 13 3.8548216E+02 1.0871137E-01 -5.4671970E-02 2.3878730E-02 -6.6438210E-03 14 2.0626427E+02 2.0548019E-01 -1.0768867E-01 4.7431132E-02 -1.3243778E-02 15 1.1271415E+02 2.9997522E-01 -1.6561163E-01 7.3871668E-02 -2.0609559E-02 16 6.2663715E+01 2.9362021E-01 -1.5374728E-01 6.7315829E-02 -1.8822271E-02 17 3.5057863E+01 1.6002954E-01 3.1058103E-02 -3.0427824E-02 9.4600023E-03 18 1.9471364E+01 3.6622963E-02 3.3678811E-01 -2.0786980E-01 6.0912640E-02 19 1.0973479E+01 2.2003309E-03 4.6488605E-01 -3.3017389E-01 1.0055932E-01 20 6.1838777E+00 3.6831433E-04 2.4464258E-01 -8.8938890E-02 1.7602954E-02 21 3.4139753E+00 -2.1288568E-04 4.4602079E-02 3.7375113E-01 -1.3921739E-01 22 1.8377108E+00 2.7227493E-06 2.8651798E-03 5.3528295E-01 -2.2169044E-01 23 9.6753360E-01 -4.2185434E-05 4.6407667E-04 2.6300388E-01 -1.0912508E-01 24 4.6323601E-01 1.0996479E-05 -2.3910543E-05 3.3999338E-02 2.2427012E-01 25 2.2272604E-01 -5.3776004E-06 -1.0871541E-05 7.9463597E-04 4.6949564E-01 26 1.0340812E-01 2.8841833E-06 -1.3025903E-05 9.9610529E-04 3.9272845E-01 27 4.6436821E-02 -5.7455099E-07 -1.2823788E-06 1.5332336E-05 1.0537859E-01 3d 4d 1 2.2664376E+04 7.4562009E-06 -2.9682472E-06 2 5.7189613E+03 5.7470485E-05 -2.2943155E-05 3 2.0076149E+03 3.5605714E-04 -1.4203748E-04 4 8.3471211E+02 1.8003149E-03 -7.2107209E-04 5 3.8607558E+02 7.5002782E-03 -3.0118905E-03 6 1.9218632E+02 2.5342909E-02 -1.0253173E-02 7 1.0051699E+02 6.9332771E-02 -2.8318624E-02 8 5.4543552E+01 1.5182708E-01 -6.2976735E-02 9 3.0315261E+01 2.5399994E-01 -1.0392965E-01 10 1.7055776E+01 3.1663246E-01 -1.2387339E-01 11 9.7033458E+00 2.6071906E-01 -6.5272880E-02 12 5.5000936E+00 1.1946305E-01 1.1919448E-01 13 3.0562500E+00 2.4759554E-02 3.1452764E-01 14 1.6739392E+00 1.5876161E-03 3.7168367E-01 15 9.1781788E-01 1.6940554E-04 2.4981894E-01 16 5.3193820E-01 -6.5992546E-05 9.3582496E-02 17 3.1487046E-01 4.8471688E-06 3.4269785E-02 18 1.3157014E-01 -7.3001410E-06 3.4266742E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.6492197E+07 7.4640298E-07 -2.5790554E-07 1.1489825E-07 -5.1232314E-08 1.7070681E-08 2 2.0354226E+07 5.0473295E-06 -1.7441231E-06 7.7700510E-07 -3.4647745E-07 1.1544851E-07 3 6.9801128E+06 1.6923324E-05 -5.8486729E-06 2.6057059E-06 -1.1618571E-06 3.8713124E-07 4 2.6669223E+06 5.1483584E-05 -1.7797507E-05 7.9291534E-06 -3.5358393E-06 1.1781752E-06 5 1.1105731E+06 1.3828898E-04 -4.7821262E-05 2.1307515E-05 -9.5007572E-06 3.1656443E-06 6 4.8718994E+05 3.5763512E-04 -1.2376217E-04 5.5146509E-05 -2.4592810E-05 8.1946711E-06 7 2.2330104E+05 8.7264749E-04 -3.0230252E-04 1.3473281E-04 -6.0077588E-05 2.0017865E-05 8 1.0593516E+05 2.0580714E-03 -7.1446917E-04 3.1850326E-04 -1.4205526E-04 4.7336085E-05 9 5.1724705E+04 4.6899313E-03 -1.6338330E-03 7.2880321E-04 -3.2502450E-04 1.0830115E-04 10 2.5788987E+04 1.0442222E-02 -3.6622371E-03 1.6350806E-03 -7.2950993E-04 2.4310628E-04 11 1.3073998E+04 2.2484383E-02 -7.9797120E-03 3.5695438E-03 -1.5928105E-03 5.3079586E-04 12 6.7423097E+03 4.6062640E-02 -1.6711438E-02 7.4994587E-03 -3.3496649E-03 1.1165054E-03 13 3.5457539E+03 8.7786620E-02 -3.3108842E-02 1.4948807E-02 -6.6831717E-03 2.2279407E-03 14 1.9022028E+03 1.5147160E-01 -6.1181892E-02 2.7913290E-02 -1.2511862E-02 4.1733398E-03 15 1.0386890E+03 2.2530589E-01 -1.0221316E-01 4.7517454E-02 -2.1371684E-02 7.1327932E-03 16 5.7613341E+02 2.6324326E-01 -1.4377907E-01 6.8934596E-02 -3.1234794E-02 1.0440562E-02 17 3.2452020E+02 2.0810818E-01 -1.4001659E-01 7.0185773E-02 -3.2051272E-02 1.0727745E-02 18 1.8605667E+02 8.8304939E-02 -2.6370720E-02 1.1641393E-02 -5.3336372E-03 1.7905547E-03 19 1.1625598E+02 1.3515432E-02 1.5292689E-01 -1.0038763E-01 4.8850546E-02 -1.6563077E-02 20 7.7567752E+01 4.2044709E-03 2.8954762E-01 -2.2709633E-01 1.1407444E-01 -3.8900460E-02 21 5.0227335E+01 -8.3859155E-04 3.9424631E-01 -3.8076334E-01 2.0149998E-01 -6.9393014E-02 22 3.0679129E+01 5.8289142E-04 2.6002464E-01 -2.9362826E-01 1.6158373E-01 -5.6267957E-02 23 1.8219517E+01 -4.2956088E-04 6.5622493E-02 1.7722843E-01 -1.0972178E-01 3.8391754E-02 24 1.1003739E+01 2.7734578E-04 4.4809780E-03 6.1949428E-01 -5.7289151E-01 2.2399104E-01 25 6.7263135E+00 -2.8354524E-04 1.2539851E-03 4.3194169E-01 -5.5370788E-01 2.2540981E-01 26 4.3618858E+00 2.5160580E-04 -5.5221881E-04 1.1680148E-01 -5.7892657E-02 6.5807429E-03 27 2.9888651E+00 -1.5281858E-04 1.3560093E-04 2.8224725E-02 3.4223589E-01 -1.6487827E-01 28 1.8133791E+00 6.0696622E-05 -1.6556519E-04 3.5800169E-03 7.1060056E-01 -4.3332167E-01 29 1.0174645E+00 -2.0597875E-05 6.7274620E-06 8.7902842E-04 3.7681403E-01 -3.8796237E-01 30 5.0000296E-01 8.5850366E-06 -9.8229014E-06 -1.4489712E-05 3.7146253E-02 1.4499844E-01 31 2.6744553E-01 -4.5620554E-06 7.1269961E-06 -1.6203937E-05 -1.5525519E-03 5.9351105E-01 32 1.3317982E-01 1.7935154E-06 -1.4576356E-06 -1.9288579E-05 8.9107726E-04 4.8543006E-01 33 6.3740378E-02 -5.0295494E-07 7.4591670E-07 -1.5187139E-06 -5.1552646E-05 9.7395852E-02 2p 3p 4p 5p 1 4.3647500E+07 6.2673144E-09 -2.9245185E-09 1.2584712E-09 -3.4904000E-10 2 1.0068222E+07 4.7722970E-08 -2.2264921E-08 9.5803028E-09 -2.6664100E-09 3 2.7366605E+06 2.6194176E-07 -1.2237098E-07 5.2670062E-08 -1.4606747E-08 4 8.3320193E+05 1.2999227E-06 -6.0739521E-07 2.6143010E-07 -7.2768218E-08 5 2.7675245E+05 6.1343543E-06 -2.8707786E-06 1.2360300E-06 -3.4286926E-07 6 9.8938721E+04 2.7732804E-05 -1.2983866E-05 5.5905422E-06 -1.5556395E-06 7 3.7787188E+04 1.1889470E-04 -5.5753557E-05 2.4014273E-05 -6.6645735E-06 8 1.5379760E+04 4.7363007E-04 -2.2236291E-04 9.5796380E-05 -2.6649671E-05 9 6.6610992E+03 1.7267954E-03 -8.1327883E-04 3.5059455E-04 -9.7336689E-05 10 3.0544978E+03 5.7215750E-03 -2.7078139E-03 1.1683950E-03 -3.2506863E-04 11 1.4722820E+03 1.7099295E-02 -8.1749833E-03 3.5345895E-03 -9.8187277E-04 12 7.4029926E+02 4.5583700E-02 -2.2182373E-02 9.6243928E-03 -2.6800638E-03 13 3.8548216E+02 1.0561995E-01 -5.2997801E-02 2.3137477E-02 -6.4369591E-03 14 2.0626427E+02 2.0251263E-01 -1.0593679E-01 4.6643623E-02 -1.3023393E-02 15 1.1271415E+02 2.9793887E-01 -1.6428214E-01 7.3262697E-02 -2.0438733E-02 16 6.2663715E+01 2.9264637E-01 -1.5327566E-01 6.7132397E-02 -1.8772368E-02 17 3.5057863E+01 1.5922271E-01 3.0897565E-02 -3.0240483E-02 9.4017403E-03 18 1.9471364E+01 3.5645802E-02 3.3660635E-01 -2.0759447E-01 6.0824712E-02 19 1.0973479E+01 1.2548768E-03 4.6507276E-01 -3.3012212E-01 1.0053738E-01 20 6.1838777E+00 -4.5132035E-04 2.4485821E-01 -8.9115627E-02 1.7666605E-02 21 3.4139753E+00 -9.9389742E-04 4.4684372E-02 3.7360348E-01 -1.3915821E-01 22 1.8377108E+00 -6.2019303E-04 2.9084069E-03 5.3522627E-01 -2.2165830E-01 23 9.6753360E-01 -7.1620976E-04 5.0804403E-04 2.6294582E-01 -1.0911299E-01 24 4.6323601E-01 -4.7244233E-04 8.1383318E-06 3.3938887E-02 2.2427576E-01 25 2.2272604E-01 -6.1154739E-04 2.8732524E-05 7.1659354E-04 4.6950852E-01 26 1.0340812E-01 -1.5007182E-04 -2.8443421E-06 9.7571203E-04 3.9273359E-01 27 4.6436821E-02 -7.2823661E-04 4.6456698E-05 -7.9089530E-05 1.0539550E-01 3d 4d 1 2.2664376E+04 2.7932126E-06 -1.1106486E-06 2 5.7189613E+03 3.8478022E-05 -1.5366550E-05 3 2.0076149E+03 2.9797499E-04 -1.1881204E-04 4 8.3471211E+02 1.6541751E-03 -6.6234265E-04 5 3.8607558E+02 7.1902298E-03 -2.8862563E-03 6 1.9218632E+02 2.4803319E-02 -1.0031708E-02 7 1.0051699E+02 6.8570898E-02 -2.7998779E-02 8 5.4543552E+01 1.5098761E-01 -6.2614984E-02 9 3.0315261E+01 2.5330118E-01 -1.0363166E-01 10 1.7055776E+01 3.1621356E-01 -1.2370638E-01 11 9.7033458E+00 2.6055452E-01 -6.5267977E-02 12 5.5000936E+00 1.1936230E-01 1.1911641E-01 13 3.0562500E+00 2.4673619E-02 3.1446230E-01 14 1.6739392E+00 1.5211502E-03 3.7165446E-01 15 9.1781788E-01 1.3296679E-04 2.4981105E-01 16 5.3193820E-01 -9.3167896E-05 9.3575624E-02 17 3.1487046E-01 -1.0302155E-05 3.4264985E-02 18 1.3157014E-01 -2.8894128E-05 3.4182747E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.6492197E+07 6.6220492E-05 -2.3215639E-05 1.0354279E-05 -4.6205374E-06 1.5394728E-06 2 2.0354226E+07 1.5339572E-04 -5.3837687E-05 2.4012410E-05 -1.0713640E-05 3.5692872E-06 3 6.9801128E+06 2.9386597E-04 -1.0322074E-04 4.6055093E-05 -2.0554119E-05 6.8488197E-06 4 2.6669223E+06 5.2215852E-04 -1.8369906E-04 8.1972944E-05 -3.6569102E-05 1.2182951E-05 5 1.1105731E+06 9.0763266E-04 -3.1974124E-04 1.4279440E-04 -6.3736044E-05 2.1240183E-05 6 4.8718994E+05 1.5619782E-03 -5.5137025E-04 2.4630625E-04 -1.0987104E-04 3.6604293E-05 7 2.2330104E+05 2.7028503E-03 -9.5600528E-04 4.2757081E-04 -1.9086656E-04 6.3613879E-05 8 1.0593516E+05 4.7386291E-03 -1.6815422E-03 7.5237443E-04 -3.3565593E-04 1.1184744E-04 9 5.1724705E+04 8.5193391E-03 -3.0364990E-03 1.3605237E-03 -6.0745345E-04 2.0252597E-04 10 2.5788987E+04 1.5767360E-02 -5.6656609E-03 2.5405922E-03 -1.1339812E-03 3.7789735E-04 11 1.3073998E+04 2.9625810E-02 -1.0786910E-02 4.8479552E-03 -2.1649412E-03 7.2153850E-04 12 6.7423097E+03 5.4983422E-02 -2.0499875E-02 9.2405213E-03 -4.1285365E-03 1.3759166E-03 13 3.5457539E+03 9.7674237E-02 -3.7904839E-02 1.7195449E-02 -7.6970174E-03 2.5667407E-03 14 1.9022028E+03 1.6029859E-01 -6.6711121E-02 3.0580746E-02 -1.3721079E-02 4.5776137E-03 15 1.0386890E+03 2.3002748E-01 -1.0761213E-01 5.0249375E-02 -2.2625376E-02 7.5533763E-03 16 5.7613341E+02 2.6177736E-01 -1.4752991E-01 7.1019241E-02 -3.2201750E-02 1.0765147E-02 17 3.2452020E+02 2.0293025E-01 -1.4050068E-01 7.0661549E-02 -3.2291469E-02 1.0810070E-02 18 1.8605667E+02 8.4596908E-02 -2.3929686E-02 1.0237572E-02 -4.6673415E-03 1.5652535E-03 19 1.1625598E+02 1.2404737E-02 1.5550986E-01 -1.0247577E-01 4.9891175E-02 -1.6915505E-02 20 7.7567752E+01 3.9246865E-03 2.9073838E-01 -2.2911056E-01 1.1521264E-01 -3.9298738E-02 21 5.0227335E+01 -8.6769602E-04 3.9386260E-01 -3.8201418E-01 2.0227747E-01 -6.9665104E-02 22 3.0679129E+01 5.5356434E-04 2.5871730E-01 -2.9306813E-01 1.6136183E-01 -5.6201236E-02 23 1.8219517E+01 -4.1676257E-04 6.5098456E-02 1.7850209E-01 -1.1064768E-01 3.8731752E-02 24 1.1003739E+01 2.5329951E-04 4.4011559E-03 6.1978557E-01 -5.7372846E-01 2.2435701E-01 25 6.7263135E+00 -2.6475268E-04 1.2305126E-03 4.3150625E-01 -5.5360428E-01 2.2538057E-01 26 4.3618858E+00 2.2360043E-04 -5.4368277E-04 1.1661753E-01 -5.7660570E-02 6.4638087E-03 27 2.9888651E+00 -1.3584819E-04 1.2006110E-04 2.8176523E-02 3.4241503E-01 -1.6497996E-01 28 1.8133791E+00 5.0747510E-05 -1.5892799E-04 3.5752219E-03 7.1057607E-01 -4.3338255E-01 29 1.0174645E+00 -1.6875718E-05 2.6441221E-06 8.7742600E-04 3.7673049E-01 -3.8794536E-01 30 5.0000296E-01 6.1121812E-06 -7.0583374E-06 -1.7204737E-05 3.7132771E-02 1.4502599E-01 31 2.6744553E-01 -3.1204394E-06 5.3351608E-06 -1.5786352E-05 -1.5543969E-03 5.9351366E-01 32 1.3317982E-01 9.6061859E-07 -6.1819787E-07 -1.9816579E-05 8.9142854E-04 4.8542286E-01 33 6.3740378E-02 -2.2425323E-07 3.4018913E-07 -1.4485354E-06 -5.1652186E-05 9.7393371E-02 2p 3p 4p 5p 1 4.3647500E+07 1.1553445E-06 -5.3412629E-07 2.2929773E-07 -6.3572370E-08 2 1.0068222E+07 3.9465409E-06 -1.8268565E-06 7.8612442E-07 -2.1878042E-07 3 2.7366605E+06 1.0246919E-05 -4.7441380E-06 2.0368982E-06 -5.6462868E-07 4 8.3320193E+05 2.4882008E-05 -1.1539054E-05 4.9673375E-06 -1.3827651E-06 5 2.7675245E+05 5.9149355E-05 -2.7466746E-05 1.1799290E-05 -3.2709552E-06 6 9.8938721E+04 1.4147094E-04 -6.5872338E-05 2.8370783E-05 -7.8976234E-06 7 3.7787188E+04 3.5149128E-04 -1.6408631E-04 7.0573301E-05 -1.9572649E-05 8 1.5379760E+04 9.2403597E-04 -4.3296788E-04 1.8660100E-04 -5.1932860E-05 9 6.6610992E+03 2.5559452E-03 -1.2030492E-03 5.1841124E-04 -1.4387687E-04 10 3.0544978E+03 7.1694607E-03 -3.3964725E-03 1.4663062E-03 -4.0806178E-04 11 1.4722820E+03 1.9457746E-02 -9.3184248E-03 4.0299761E-03 -1.1194164E-03 12 7.4029926E+02 4.9056276E-02 -2.3927766E-02 1.0387331E-02 -2.8929269E-03 13 3.8548216E+02 1.1000639E-01 -5.5332272E-02 2.4167485E-02 -6.7237620E-03 14 2.0626427E+02 2.0690482E-01 -1.0848027E-01 4.7785389E-02 -1.3343448E-02 15 1.1271415E+02 3.0099124E-01 -1.6627877E-01 7.4182733E-02 -2.0696387E-02 16 6.2663715E+01 2.9384253E-01 -1.5393596E-01 6.7408369E-02 -1.8849329E-02 17 3.5057863E+01 1.5984237E-01 3.1393924E-02 -3.0605004E-02 9.5116062E-03 18 1.9471364E+01 3.6512857E-02 3.3720086E-01 -2.0811999E-01 6.0985757E-02 19 1.0973479E+01 2.1793125E-03 4.6502347E-01 -3.3032244E-01 1.0060842E-01 20 6.1838777E+00 3.6606087E-04 2.4457593E-01 -8.8855809E-02 1.7573179E-02 21 3.4139753E+00 -2.1392151E-04 4.4576175E-02 3.7384741E-01 -1.3924992E-01 22 1.8377108E+00 2.7264920E-06 2.8598505E-03 5.3530606E-01 -2.2170453E-01 23 9.6753360E-01 -4.2339704E-05 4.6420821E-04 2.6299175E-01 -1.0912051E-01 24 4.6323601E-01 1.1007023E-05 -2.4389383E-05 3.3996116E-02 2.2427809E-01 25 2.2272604E-01 -5.4025269E-06 -1.0695287E-05 7.9386497E-04 4.6949898E-01 26 1.0340812E-01 2.8881880E-06 -1.3115565E-05 9.9626344E-04 3.9272823E-01 27 4.6436821E-02 -5.7557268E-07 -1.2725496E-06 1.5283155E-05 1.0537820E-01 3d 4d 1 2.2664376E+04 8.1774458E-06 -3.2497980E-06 2 5.7189613E+03 6.0367312E-05 -2.4098331E-05 3 2.0076149E+03 3.6613956E-04 -1.4598519E-04 4 8.3471211E+02 1.8330921E-03 -7.3411528E-04 5 3.8607558E+02 7.5888413E-03 -3.0471577E-03 6 1.9218632E+02 2.5530450E-02 -1.0328923E-02 7 1.0051699E+02 6.9638967E-02 -2.8444537E-02 8 5.4543552E+01 1.5221238E-01 -6.3140858E-02 9 3.0315261E+01 2.5433450E-01 -1.0406963E-01 10 1.7055776E+01 3.1682594E-01 -1.2395669E-01 11 9.7033458E+00 2.6075421E-01 -6.5269280E-02 12 5.5000936E+00 1.1944344E-01 1.1925824E-01 13 3.0562500E+00 2.4750017E-02 3.1457682E-01 14 1.6739392E+00 1.5863093E-03 3.7170322E-01 15 9.1781788E-01 1.6922286E-04 2.4981925E-01 16 5.3193820E-01 -6.6011194E-05 9.3580487E-02 17 3.1487046E-01 4.8300828E-06 3.4269314E-02 18 1.3157014E-01 -7.3009394E-06 3.4266044E-03 ** I 127 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.7536542E+07 2.5724838E-05 -8.9377231E-06 3.9992639E-06 -1.8039208E-06 6.2380182E-07 2 2.0605227E+07 6.3463821E-05 -2.2093980E-05 9.8889947E-06 -4.4608583E-06 1.5425951E-06 3 7.0496680E+06 1.3359513E-04 -4.6608114E-05 2.0867813E-05 -9.4138596E-06 3.2554306E-06 4 2.6847677E+06 2.6010015E-04 -9.1037372E-05 4.0778738E-05 -1.8398103E-05 6.3623824E-06 5 1.1129577E+06 5.0496342E-04 -1.7737997E-04 7.9497269E-05 -3.5869922E-05 1.2404816E-05 6 4.8541403E+05 9.7692785E-04 -3.4475587E-04 1.5460979E-04 -6.9773065E-05 2.4129839E-05 7 2.2082655E+05 1.9083719E-03 -6.7683970E-04 3.0376560E-04 -1.3710036E-04 4.7416068E-05 8 1.0378765E+05 3.7539884E-03 -1.3394264E-03 6.0162735E-04 -2.7159887E-04 9.3933605E-05 9 5.0202359E+04 7.4267202E-03 -2.6684013E-03 1.1998450E-03 -5.4173954E-04 1.8737612E-04 10 2.4901714E+04 1.4657835E-02 -5.3175121E-03 2.3942371E-03 -1.0814256E-03 3.7405102E-04 11 1.2646252E+04 2.8541332E-02 -1.0502244E-02 4.7391413E-03 -2.1413161E-03 7.4075161E-04 12 6.5646460E+03 5.4003895E-02 -2.0350685E-02 9.2152751E-03 -4.1674607E-03 1.4418017E-03 13 3.4777873E+03 9.7038070E-02 -3.8072438E-02 1.7348942E-02 -7.8548162E-03 2.7183932E-03 14 1.8783840E+03 1.5955135E-01 -6.7159046E-02 3.0932893E-02 -1.4040232E-02 4.8608445E-03 15 1.0342444E+03 2.2628091E-01 -1.0712786E-01 5.0292686E-02 -2.2912649E-02 7.9399202E-03 16 5.8126033E+02 2.5170417E-01 -1.4306047E-01 6.9237524E-02 -3.1768826E-02 1.1020936E-02 17 3.3467185E+02 1.9128037E-01 -1.3148160E-01 6.6343911E-02 -3.0678324E-02 1.0667821E-02 18 2.0023231E+02 8.1443944E-02 -3.0612556E-02 1.4105638E-02 -6.5253248E-03 2.2485276E-03 19 1.3363760E+02 1.8434440E-02 1.0268574E-01 -6.6557779E-02 3.2606259E-02 -1.1419312E-02 20 8.8642082E+01 5.0124034E-03 2.8900846E-01 -2.1928128E-01 1.1080769E-01 -3.9269215E-02 21 5.5489724E+01 -1.4110150E-04 4.1305750E-01 -3.9230986E-01 2.0914553E-01 -7.4672900E-02 22 3.3718898E+01 2.5759835E-04 2.7957947E-01 -3.1899793E-01 1.7733298E-01 -6.4192074E-02 23 2.0294880E+01 -2.0465384E-04 7.8340969E-02 1.0527957E-01 -6.3153312E-02 2.2504591E-02 24 1.2576413E+01 8.8038610E-05 7.3194499E-03 5.5136519E-01 -4.8676211E-01 1.9576267E-01 25 7.9259000E+00 -9.3867285E-05 1.2895017E-03 4.8707901E-01 -6.0427396E-01 2.5671061E-01 26 4.9928561E+00 5.5905893E-05 -2.2099946E-04 1.8997777E-01 -1.6847958E-01 5.5726506E-02 27 3.0482607E+00 -2.6875833E-05 -7.5353303E-05 2.8625539E-02 4.4254566E-01 -2.2699162E-01 28 1.8314611E+00 1.6993191E-05 -9.9039965E-05 3.0852229E-03 6.8948793E-01 -4.6825205E-01 29 1.0586577E+00 -6.4295363E-06 -7.1488242E-06 5.8928712E-04 3.2390085E-01 -3.6956471E-01 30 5.5942026E-01 2.6953698E-06 -1.1838230E-06 2.6404176E-05 3.3337121E-02 1.8811606E-01 31 2.9653867E-01 -1.2660258E-06 3.6109458E-06 -6.0763029E-05 3.2702470E-04 6.0899026E-01 32 1.5000804E-01 3.7528699E-07 5.8925231E-07 -1.2328813E-05 5.8902931E-04 4.7038294E-01 33 7.2609908E-02 -9.0631317E-08 2.5009764E-07 -4.5841077E-06 3.2795914E-05 9.1089488E-02 2p 3p 4p 5p 1 4.4437221E+07 1.3866486E-06 -6.4995381E-07 2.8386498E-07 -8.3701345E-08 2 1.0316962E+07 4.4850116E-06 -2.1023168E-06 9.1817270E-07 -2.7075709E-07 3 2.8276690E+06 1.1217245E-05 -5.2588631E-06 2.2969000E-06 -6.7724945E-07 4 8.6513173E+05 2.6192084E-05 -1.2282660E-05 5.3647473E-06 -1.5821302E-06 5 2.8739819E+05 5.9789413E-05 -2.8057397E-05 1.2257163E-05 -3.6137524E-06 6 1.0268966E+05 1.3833093E-04 -6.4988977E-05 2.8394705E-05 -8.3759970E-06 7 3.9211761E+04 3.3826844E-04 -1.5927236E-04 6.9628955E-05 -2.0525905E-05 8 1.5955056E+04 8.9114819E-04 -4.2077887E-04 1.8401726E-04 -5.4305284E-05 9 6.9078934E+03 2.4848763E-03 -1.1783575E-03 5.1588847E-04 -1.5208167E-04 10 3.1680314E+03 7.0223483E-03 -3.3495779E-03 1.4677557E-03 -4.3336297E-04 11 1.5274574E+03 1.9184134E-02 -9.2475332E-03 4.0619469E-03 -1.1979869E-03 12 7.6826049E+02 4.8617552E-02 -2.3860011E-02 1.0514908E-02 -3.1078827E-03 13 4.0029857E+02 1.0931249E-01 -5.5307759E-02 2.4534377E-02 -7.2470434E-03 14 2.1442158E+02 2.0591638E-01 -1.0858264E-01 4.8562099E-02 -1.4393732E-02 15 1.1729112E+02 2.9996960E-01 -1.6658876E-01 7.5502714E-02 -2.2369422E-02 16 6.5249304E+01 2.9296187E-01 -1.5373145E-01 6.8209929E-02 -2.0233459E-02 17 3.6524103E+01 1.5912567E-01 3.3374952E-02 -3.2370977E-02 1.0687012E-02 18 2.0313426E+01 3.6168715E-02 3.4059771E-01 -2.1510815E-01 6.7201663E-02 19 1.1480568E+01 2.1502773E-03 4.6369625E-01 -3.3610627E-01 1.0908830E-01 20 6.4884393E+00 3.4329811E-04 2.4111795E-01 -8.2831506E-02 1.5865929E-02 21 3.6011336E+00 -2.1357994E-04 4.3770976E-02 3.8212738E-01 -1.5259451E-01 22 1.9589803E+00 1.5143837E-06 2.8677578E-03 5.3468842E-01 -2.4212151E-01 23 1.0466017E+00 -4.1680806E-05 4.2535905E-04 2.5443489E-01 -1.0813282E-01 24 5.1503900E-01 1.1421681E-05 -2.6040769E-05 3.3240461E-02 2.5036758E-01 25 2.5018062E-01 -4.9523527E-06 -2.1071813E-05 1.3915726E-03 4.7852292E-01 26 1.1740677E-01 2.9506623E-06 -1.4593497E-05 1.0057600E-03 3.7530742E-01 27 5.3158403E-02 -4.9577149E-07 -2.5214190E-06 6.8807701E-05 9.4819214E-02 3d 4d 1 2.4531944E+04 7.3276638E-06 -3.0052634E-06 2 6.1561227E+03 5.5884568E-05 -2.2985475E-05 3 2.1509140E+03 3.4503621E-04 -1.4180711E-04 4 8.9178828E+02 1.7436776E-03 -7.1957233E-04 5 4.1184308E+02 7.2764112E-03 -3.0106209E-03 6 2.0485293E+02 2.4688234E-02 -1.0292578E-02 7 1.0711474E+02 6.7899727E-02 -2.8578276E-02 8 5.8128222E+01 1.4964970E-01 -6.3995048E-02 9 3.2329802E+01 2.5218041E-01 -1.0647768E-01 10 1.8214413E+01 3.1656289E-01 -1.2791985E-01 11 1.0385388E+01 2.6255096E-01 -6.8444624E-02 12 5.9043953E+00 1.2165411E-01 1.2056054E-01 13 3.2932275E+00 2.5602664E-02 3.2087757E-01 14 1.8147700E+00 1.6003151E-03 3.7605660E-01 15 1.0037929E+00 1.8483926E-04 2.4075925E-01 16 6.0503310E-01 -8.9413995E-05 8.1477990E-02 17 3.7251689E-01 6.1928957E-06 3.7148722E-02 18 1.5580080E-01 -9.5607582E-06 3.7847310E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.7536542E+07 7.8398296E-07 -2.7194379E-07 1.2165597E-07 -5.4871355E-08 1.8974580E-08 2 2.0605227E+07 5.3035869E-06 -1.8398019E-06 8.2304016E-07 -3.7123046E-07 1.2837077E-07 3 7.0496680E+06 1.7839709E-05 -6.1894062E-06 2.7689735E-06 -1.2489098E-06 4.3187623E-07 4 2.6847677E+06 5.4470701E-05 -1.8903717E-05 8.4570763E-06 -3.8146333E-06 1.3190905E-06 5 1.1129577E+06 1.4724167E-04 -5.1117216E-05 2.2870830E-05 -1.0315690E-05 3.5672225E-06 6 4.8541403E+05 3.8366141E-04 -1.3329457E-04 5.9642095E-05 -2.6903272E-05 9.3031048E-06 7 2.2082655E+05 9.4626677E-04 -3.2912748E-04 1.4730073E-04 -6.6441979E-05 2.2976377E-05 8 1.0378765E+05 2.2587977E-03 -7.8741750E-04 3.5250197E-04 -1.5902479E-04 5.4991419E-05 9 5.0202359E+04 5.1849555E-03 -1.8143192E-03 8.1274524E-04 -3.6666625E-04 1.2680275E-04 10 2.4901714E+04 1.1485274E-02 -4.0479983E-03 1.8151609E-03 -8.1917525E-04 2.8329245E-04 11 1.2646252E+04 2.4356133E-02 -8.6937885E-03 3.9063303E-03 -1.7634238E-03 6.0991977E-04 12 6.5646460E+03 4.9070752E-02 -1.7926778E-02 8.0825450E-03 -3.6519267E-03 1.2632136E-03 13 3.4777873E+03 9.2182605E-02 -3.5069982E-02 1.5913354E-02 -7.1984458E-03 2.4908057E-03 14 1.8783840E+03 1.5635091E-01 -6.3869612E-02 2.9299767E-02 -1.3287961E-02 4.5996339E-03 15 1.0342444E+03 2.2643463E-01 -1.0417906E-01 4.8729729E-02 -2.2183684E-02 7.6861665E-03 16 5.8126033E+02 2.5537882E-01 -1.4135466E-01 6.8202743E-02 -3.1274681E-02 1.0848177E-02 17 3.3467185E+02 1.9566873E-01 -1.3158456E-01 6.6289317E-02 -3.0643199E-02 1.0654878E-02 18 2.0023231E+02 8.3731056E-02 -3.1896120E-02 1.4958354E-02 -6.9424352E-03 2.3952442E-03 19 1.3363760E+02 1.8948253E-02 1.0155349E-01 -6.5428967E-02 3.2019900E-02 -1.1211222E-02 20 8.8642082E+01 5.1962085E-03 2.8848573E-01 -2.1790101E-01 1.1001164E-01 -3.8980373E-02 21 5.5489724E+01 -1.7854431E-04 4.1398541E-01 -3.9172770E-01 2.0872192E-01 -7.4514674E-02 22 3.3718898E+01 2.8906338E-04 2.8059373E-01 -3.1935410E-01 1.7749982E-01 -6.4248915E-02 23 2.0294880E+01 -2.3371477E-04 7.8709656E-02 1.0461331E-01 -6.2585705E-02 2.2282811E-02 24 1.2576413E+01 1.1552682E-04 7.3235551E-03 5.5137529E-01 -4.8631752E-01 1.9555015E-01 25 7.9259000E+00 -1.1926454E-04 1.3167916E-03 4.8743079E-01 -6.0430391E-01 2.5670943E-01 26 4.9928561E+00 7.6224379E-05 -2.4110230E-04 1.9015873E-01 -1.6864643E-01 5.5817331E-02 27 3.0482607E+00 -4.1220657E-05 -6.1720817E-05 2.8647676E-02 4.4248274E-01 -2.2692123E-01 28 1.8314611E+00 2.6462416E-05 -1.0837426E-04 3.0901580E-03 6.8956370E-01 -4.6822997E-01 29 1.0586577E+00 -1.1947921E-05 -1.7490053E-06 5.8754850E-04 3.2395694E-01 -3.6958048E-01 30 5.5942026E-01 5.8771411E-06 -4.3197575E-06 2.7581049E-05 3.3343140E-02 1.8810493E-01 31 2.9653867E-01 -3.2120700E-06 5.5511439E-06 -6.1529676E-05 3.2697659E-04 6.0899502E-01 32 1.5000804E-01 1.3746277E-06 -4.0889789E-07 -1.1949905E-05 5.8909592E-04 4.7038943E-01 33 7.2609908E-02 -4.3074541E-07 5.9199827E-07 -4.7163038E-06 3.2794320E-05 9.1091116E-02 2p 3p 4p 5p 1 4.4437221E+07 6.7046505E-09 -3.1454057E-09 1.3743719E-09 -4.0466632E-10 2 1.0316962E+07 5.0421799E-08 -2.3652373E-08 1.0328471E-08 -3.0504209E-09 3 2.8276690E+06 2.7252118E-07 -1.2800046E-07 5.5943484E-08 -1.6470286E-08 4 8.6513173E+05 1.3429866E-06 -6.3096438E-07 2.7560956E-07 -8.1406004E-08 5 2.8739819E+05 6.3138393E-06 -2.9709139E-06 1.2988681E-06 -3.8249095E-07 6 1.0268966E+05 2.8414956E-05 -1.3377277E-05 5.8459618E-06 -1.7262772E-06 7 3.9211761E+04 1.2128910E-04 -5.7192475E-05 2.5012925E-05 -7.3688834E-06 8 1.5955056E+04 4.8186338E-04 -2.2750463E-04 9.9482922E-05 -2.9370724E-05 9 6.9078934E+03 1.7523358E-03 -8.2996928E-04 3.6328904E-04 -1.0706513E-04 10 3.1680314E+03 5.7894498E-03 -2.7556478E-03 1.2069634E-03 -3.5638620E-04 11 1.5274574E+03 1.7264707E-02 -8.3017494E-03 3.6447732E-03 -1.0747788E-03 12 7.6826049E+02 4.5929979E-02 -2.2483005E-02 9.9030278E-03 -2.9269080E-03 13 4.0029857E+02 1.0609111E-01 -5.3552196E-02 2.3744857E-02 -7.0131158E-03 14 2.1442158E+02 2.0283014E-01 -1.0674858E-01 4.7724512E-02 -1.4144842E-02 15 1.1729112E+02 2.9785551E-01 -1.6520038E-01 7.4856541E-02 -2.2176911E-02 16 6.5249304E+01 2.9195165E-01 -1.5324495E-01 6.8019649E-02 -2.0178708E-02 17 3.6524103E+01 1.5828563E-01 3.3198746E-02 -3.2164882E-02 1.0618734E-02 18 2.0313426E+01 3.5153975E-02 3.4040472E-01 -2.1480815E-01 6.7099141E-02 19 1.1480568E+01 1.1679841E-03 4.6389711E-01 -3.3605589E-01 1.0906491E-01 20 6.4884393E+00 -5.0607878E-04 2.4134138E-01 -8.3022926E-02 1.5940104E-02 21 3.6011336E+00 -1.0228229E-03 4.3856177E-02 3.8196956E-01 -1.5252604E-01 22 1.9589803E+00 -6.3264678E-04 2.9107418E-03 5.3463193E-01 -2.4208508E-01 23 1.0466017E+00 -7.4009306E-04 4.7044182E-04 2.5437422E-01 -1.0812116E-01 24 5.1503900E-01 -4.6801579E-04 5.0377226E-06 3.3179090E-02 2.5037309E-01 25 2.5018062E-01 -6.6314374E-04 2.1377831E-05 1.3048377E-03 4.7853807E-01 26 1.1740677E-01 -1.3464171E-04 -5.6606799E-06 9.8686431E-04 3.7531280E-01 27 5.3158403E-02 -7.8591505E-04 4.8204097E-05 -3.5594002E-05 9.4838507E-02 3d 4d 1 2.4531944E+04 2.6333297E-06 -1.0786663E-06 2 6.1561227E+03 3.6593556E-05 -1.5057144E-05 3 2.1509140E+03 2.8568999E-04 -1.1735843E-04 4 8.9178828E+02 1.5937737E-03 -6.5750567E-04 5 4.1184308E+02 6.9569280E-03 -2.8772301E-03 6 2.0485293E+02 2.4128615E-02 -1.0055882E-02 7 1.0711474E+02 6.7103697E-02 -2.8233846E-02 8 5.8128222E+01 1.4876499E-01 -6.3601797E-02 9 3.2329802E+01 2.5143795E-01 -1.0615063E-01 10 1.8214413E+01 3.1611487E-01 -1.2773531E-01 11 1.0385388E+01 2.6237569E-01 -6.8439095E-02 12 5.9043953E+00 1.2154758E-01 1.2047393E-01 13 3.2932275E+00 2.5512106E-02 3.2080520E-01 14 1.8147700E+00 1.5287413E-03 3.7602559E-01 15 1.0037929E+00 1.4784088E-04 2.4075210E-01 16 6.0503310E-01 -1.1865523E-04 8.1470199E-02 17 3.7251689E-01 -9.8516332E-06 3.7143673E-02 18 1.5580080E-01 -3.4684890E-05 3.7746449E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.7536542E+07 7.1124512E-05 -2.5041037E-05 1.1215784E-05 -5.0625745E-06 1.7505151E-06 2 2.0605227E+07 1.6463550E-04 -5.8019526E-05 2.5985457E-05 -1.1728072E-05 4.0550193E-06 3 7.0496680E+06 3.1550383E-04 -1.1130107E-04 4.9872649E-05 -2.2513399E-05 7.7851919E-06 4 2.6847677E+06 5.6125738E-04 -1.9824247E-04 8.8823848E-05 -4.0085380E-05 1.3859593E-05 5 1.1129577E+06 9.7816871E-04 -3.4615290E-04 1.5525261E-04 -7.0089347E-05 2.4239803E-05 6 4.8541403E+05 1.6901837E-03 -5.9910555E-04 2.6871111E-04 -1.2126146E-04 4.1927466E-05 7 2.2082655E+05 2.9441508E-03 -1.0466352E-03 4.7015266E-04 -2.1227744E-04 7.3425435E-05 8 1.0378765E+05 5.2047337E-03 -1.8556787E-03 8.3371561E-04 -3.7629297E-04 1.3014490E-04 9 5.0202359E+04 9.4000352E-03 -3.3700342E-03 1.5167740E-03 -6.8499450E-04 2.3699764E-04 10 2.4901714E+04 1.7284358E-02 -6.2466043E-03 2.8131778E-03 -1.2701104E-03 4.3913267E-04 11 1.2646252E+04 3.1986636E-02 -1.1730323E-02 5.2971164E-03 -2.3927133E-03 8.2757229E-04 12 6.5646460E+03 5.8424826E-02 -2.1954712E-02 9.9443425E-03 -4.4965592E-03 1.5555431E-03 13 3.4777873E+03 1.0239035E-01 -4.0136261E-02 1.8307483E-02 -8.2950004E-03 2.8716515E-03 14 1.8783840E+03 1.6521622E-01 -6.9603779E-02 3.2080585E-02 -1.4562868E-02 5.0419468E-03 15 1.0342444E+03 2.3084322E-01 -1.0965667E-01 5.1514362E-02 -2.3472223E-02 8.1344479E-03 16 5.8126033E+02 2.5358431E-01 -1.4495215E-01 7.0212584E-02 -3.2217105E-02 1.1176390E-02 17 3.3467185E+02 1.9053116E-01 -1.3202629E-01 6.6761234E-02 -3.0887332E-02 1.0742288E-02 18 2.0023231E+02 8.0010959E-02 -2.9722016E-02 1.3736549E-02 -6.3578221E-03 2.1894086E-03 19 1.3363760E+02 1.7629409E-02 1.0384200E-01 -6.7128909E-02 3.2863448E-02 -1.1506284E-02 20 8.8642082E+01 4.8451887E-03 2.9055095E-01 -2.2053402E-01 1.1146339E-01 -3.9504817E-02 21 5.5489724E+01 -2.0971170E-04 4.1364259E-01 -3.9321940E-01 2.0966407E-01 -7.4858738E-02 22 3.3718898E+01 2.5056860E-04 2.7924620E-01 -3.1892584E-01 1.7735270E-01 -6.4205793E-02 23 2.0294880E+01 -2.2669906E-04 7.8047365E-02 1.0594114E-01 -6.3491947E-02 2.2622941E-02 24 1.2576413E+01 8.5478649E-05 7.2423069E-03 5.5184915E-01 -4.8726048E-01 1.9597176E-01 25 7.9259000E+00 -1.0403944E-04 1.2714608E-03 4.8703686E-01 -6.0437443E-01 2.5676199E-01 26 4.9928561E+00 5.5639072E-05 -2.2511070E-04 1.8988062E-01 -1.6832464E-01 5.5656811E-02 27 3.0482607E+00 -3.0135700E-05 -7.8320349E-05 2.8588322E-02 4.4269383E-01 -2.2705694E-01 28 1.8314611E+00 1.6919140E-05 -9.9331820E-05 3.0788121E-03 6.8951929E-01 -4.6829079E-01 29 1.0586577E+00 -7.1088648E-06 -7.9490321E-06 5.8675715E-04 3.2387312E-01 -3.6955637E-01 30 5.5942026E-01 2.6737160E-06 -1.4005272E-06 2.6110839E-05 3.3328916E-02 1.8813660E-01 31 2.9653867E-01 -1.3945758E-06 3.3764309E-06 -6.1118442E-05 3.2521416E-04 6.0899710E-01 32 1.5000804E-01 3.5441636E-07 5.4150769E-07 -1.2443166E-05 5.8909584E-04 4.7038093E-01 33 7.2609908E-02 -1.2021846E-07 2.1622195E-07 -4.6821712E-06 3.2711455E-05 9.1088436E-02 2p 3p 4p 5p 1 4.4437221E+07 1.2263417E-06 -5.6997891E-07 2.4843332E-07 -7.3107865E-08 2 1.0316962E+07 4.1548422E-06 -1.9333858E-06 8.4436101E-07 -2.4939414E-07 3 2.8276690E+06 1.0712385E-05 -4.9861508E-06 2.1736075E-06 -6.3952441E-07 4 8.6513173E+05 2.6036807E-05 -1.2138473E-05 5.3031265E-06 -1.5667109E-06 5 2.8739819E+05 6.1999564E-05 -2.8946763E-05 1.2626134E-05 -3.7152833E-06 6 1.0268966E+05 1.4790973E-04 -6.9243311E-05 3.0267452E-05 -8.9418978E-06 7 3.9211761E+04 3.6577176E-04 -1.7170070E-04 7.4983839E-05 -2.2074255E-05 8 1.5955056E+04 9.5552608E-04 -4.5022240E-04 1.9694719E-04 -5.8172203E-05 9 6.9078934E+03 2.6234839E-03 -1.2418530E-03 5.4336434E-04 -1.6007420E-04 10 3.1680314E+03 7.3071114E-03 -3.4816760E-03 1.5257731E-03 -4.5065273E-04 11 1.5274574E+03 1.9733093E-02 -9.5057132E-03 4.1744912E-03 -1.2309013E-03 12 7.6826049E+02 4.9558089E-02 -2.4317855E-02 1.0717360E-02 -3.1680898E-03 13 4.0029857E+02 1.1066159E-01 -5.6000209E-02 2.4842112E-02 -7.3374819E-03 14 2.1442158E+02 2.0739773E-01 -1.0941153E-01 4.8938779E-02 -1.4506271E-02 15 1.1729112E+02 3.0102570E-01 -1.6728710E-01 7.5834045E-02 -2.2467669E-02 16 6.5249304E+01 2.9319117E-01 -1.5392573E-01 6.8306344E-02 -2.0263407E-02 17 3.6524103E+01 1.5893003E-01 3.3730932E-02 -3.2561644E-02 1.0745980E-02 18 2.0313426E+01 3.6053890E-02 3.4103279E-01 -2.1537941E-01 6.7286367E-02 19 1.1480568E+01 2.1284113E-03 4.6383697E-01 -3.3626262E-01 1.0914344E-01 20 6.4884393E+00 3.4092560E-04 2.4104715E-01 -8.2738833E-02 1.5830499E-02 21 3.6011336E+00 -2.1465059E-04 4.3743868E-02 3.8223048E-01 -1.5263180E-01 22 1.9589803E+00 1.5049194E-06 2.8619919E-03 5.3471296E-01 -2.4213862E-01 23 1.0466017E+00 -4.1846682E-05 4.2555021E-04 2.5442096E-01 -1.0812634E-01 24 5.1503900E-01 1.1430369E-05 -2.6583165E-05 3.3237033E-02 2.5037728E-01 25 2.5018062E-01 -4.9783891E-06 -2.0880204E-05 1.3907101E-03 4.7852649E-01 26 1.1740677E-01 2.9545174E-06 -1.4690915E-05 1.0059154E-03 3.7530704E-01 27 5.3158403E-02 -4.9688562E-07 -2.5097683E-06 6.8752425E-05 9.4818782E-02 3d 4d 1 2.4531944E+04 8.0570547E-06 -3.2983312E-06 2 6.1561227E+03 5.8868490E-05 -2.4212227E-05 3 2.1509140E+03 3.5538757E-04 -1.4598076E-04 4 8.9178828E+02 1.7771611E-03 -7.3330308E-04 5 4.1184308E+02 7.3670342E-03 -3.0477858E-03 6 2.0485293E+02 2.4881597E-02 -1.0373065E-02 7 1.0711474E+02 6.8218173E-02 -2.8713160E-02 8 5.8128222E+01 1.5005460E-01 -6.4172905E-02 9 3.2329802E+01 2.5253651E-01 -1.0663158E-01 10 1.8214413E+01 3.1677149E-01 -1.2801268E-01 11 1.0385388E+01 2.6259018E-01 -6.8441434E-02 12 5.9043953E+00 1.2163327E-01 1.2063075E-01 13 3.2932275E+00 2.5592142E-02 3.2093233E-01 14 1.8147700E+00 1.5988214E-03 3.7607821E-01 15 1.0037929E+00 1.8463189E-04 2.4075867E-01 16 6.0503310E-01 -8.9440375E-05 8.1475426E-02 17 3.7251689E-01 6.1670639E-06 3.7148391E-02 18 1.5580080E-01 -9.5621662E-06 3.7846364E-03 ** Xe 132 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.5931970E+07 2.8257750E-05 -9.8564830E-06 4.4280383E-06 -2.0191410E-06 7.2027083E-07 2 2.0191847E+07 6.9572620E-05 -2.4317753E-05 1.0928105E-05 -4.9834417E-06 1.7777157E-06 3 6.9130961E+06 1.4613510E-04 -5.1191279E-05 2.3012096E-05 -1.0494654E-05 3.7437802E-06 4 2.6338037E+06 2.8382867E-04 -9.9758712E-05 4.4866629E-05 -2.0463675E-05 7.3001182E-06 5 1.0927593E+06 5.4890839E-04 -1.9365157E-04 8.7142073E-05 -3.9749626E-05 1.4180681E-05 6 4.7735047E+05 1.0573009E-03 -3.7479115E-04 1.6877102E-04 -7.6996972E-05 2.7468808E-05 7 2.1743573E+05 2.0600653E-03 -7.3407699E-04 3.3080728E-04 -1.5094218E-04 5.3852480E-05 8 1.0220067E+05 4.0472190E-03 -1.4511700E-03 6.5455688E-04 -2.9872996E-04 1.0657894E-04 9 4.9400888E+04 7.9931096E-03 -2.8871505E-03 1.3036466E-03 -5.9507816E-04 2.1233013E-04 10 2.4488416E+04 1.5731052E-02 -5.7395713E-03 2.5955133E-03 -1.1852104E-03 4.2289258E-04 11 1.2433235E+04 3.0507059E-02 -1.1298887E-02 5.1209309E-03 -2.3393980E-03 8.3487193E-04 12 6.4552801E+03 5.7389515E-02 -2.1791932E-02 9.9143202E-03 -4.5331567E-03 1.6178565E-03 13 3.4223475E+03 1.0220208E-01 -4.0489013E-02 1.8540527E-02 -8.4883915E-03 3.0307463E-03 14 1.8515400E+03 1.6561618E-01 -7.0601673E-02 3.2703621E-02 -1.5011357E-02 5.3614225E-03 15 1.0228993E+03 2.2959496E-01 -1.1056092E-01 5.2229201E-02 -2.4071517E-02 8.6071942E-03 16 5.7797994E+02 2.4779314E-01 -1.4350849E-01 6.9983435E-02 -3.2486469E-02 1.1626685E-02 17 3.3491389E+02 1.8216508E-01 -1.2597713E-01 6.3917097E-02 -2.9916018E-02 1.0740334E-02 18 2.0113053E+02 7.5603733E-02 -1.8347454E-02 7.3075243E-03 -3.2905313E-03 1.1373488E-03 19 1.3225364E+02 1.6195244E-02 1.2425237E-01 -8.2767278E-02 4.1068495E-02 -1.4830455E-02 20 8.8031447E+01 3.7094955E-03 3.0053347E-01 -2.3395345E-01 1.2056190E-01 -4.4223858E-02 21 5.5587293E+01 -6.1223310E-05 4.0385978E-01 -3.9495573E-01 2.1382952E-01 -7.8820542E-02 22 3.3923181E+01 1.6916530E-04 2.6223580E-01 -2.9600057E-01 1.6819170E-01 -6.3210393E-02 23 2.0308052E+01 -1.5405166E-04 6.8673668E-02 1.4973811E-01 -9.5424815E-02 3.6043633E-02 24 1.2692152E+01 5.2261181E-05 4.8334364E-03 5.7413898E-01 -5.3578074E-01 2.2518859E-01 25 7.9547408E+00 -6.4099931E-05 1.6008744E-03 4.6688437E-01 -5.9859411E-01 2.6317367E-01 26 4.9988648E+00 3.9858585E-05 -5.5177050E-04 1.6081929E-01 -9.7750957E-02 2.4185034E-02 27 3.0707979E+00 -1.8733904E-05 9.2172006E-05 2.3143852E-02 4.9198657E-01 -2.6154664E-01 28 1.8815154E+00 1.3133467E-05 -1.7954839E-04 2.3418924E-03 6.6417297E-01 -5.0263061E-01 29 1.1061517E+00 -4.7505578E-06 3.2995296E-05 6.5568580E-04 2.9201982E-01 -3.4349199E-01 30 5.8274294E-01 1.8411697E-06 -1.4038014E-05 -8.1294743E-05 2.8468962E-02 2.5902266E-01 31 3.1156539E-01 -9.4680269E-07 1.0456885E-05 -3.7896757E-05 1.8239267E-04 6.2554753E-01 32 1.5990661E-01 2.5585657E-07 -1.4147087E-06 -2.6625346E-05 7.0191168E-04 4.2758082E-01 33 7.8476292E-02 -6.6219010E-08 7.0535616E-07 -2.1473758E-06 1.8106051E-05 7.2613424E-02 2p 3p 4p 5p 1 4.3943119E+07 1.5019619E-06 -7.0766973E-07 3.1363350E-07 -9.6386269E-08 2 1.0193776E+07 4.9022653E-06 -2.3098855E-06 1.0236946E-06 -3.1462038E-07 3 2.7769157E+06 1.2341504E-05 -5.8161328E-06 2.5778216E-06 -7.9220549E-07 4 8.4677403E+05 2.8766775E-05 -1.3560877E-05 6.0102583E-06 -1.8473012E-06 5 2.8182555E+05 6.5466843E-05 -3.0883607E-05 1.3691762E-05 -4.2075055E-06 6 1.0090806E+05 1.5155145E-04 -7.1582241E-05 3.1735211E-05 -9.7559441E-06 7 3.8598809E+04 3.7056388E-04 -1.7542557E-04 7.7835402E-05 -2.3918111E-05 8 1.5732528E+04 9.7575456E-04 -4.6331921E-04 2.0559882E-04 -6.3227159E-05 9 6.8186592E+03 2.7189557E-03 -1.2967707E-03 5.7628633E-04 -1.7710886E-04 10 3.1281268E+03 7.6690752E-03 -3.6805219E-03 1.6366174E-03 -5.0354609E-04 11 1.5084434E+03 2.0864829E-02 -1.0124094E-02 4.5151112E-03 -1.3883831E-03 12 7.5887458E+02 5.2506851E-02 -2.5965686E-02 1.1616132E-02 -3.5781097E-03 13 3.9564241E+02 1.1655205E-01 -5.9481185E-02 2.6806458E-02 -8.2573257E-03 14 2.1225470E+02 2.1494419E-01 -1.1445985E-01 5.1997819E-02 -1.6064805E-02 15 1.1647916E+02 3.0343763E-01 -1.7000093E-01 7.8343457E-02 -2.4216038E-02 16 6.5073114E+01 2.8404847E-01 -1.4565732E-01 6.4823239E-02 -1.9985231E-02 17 3.6600341E+01 1.4682826E-01 5.3896533E-02 -4.4366740E-02 1.5003066E-02 18 2.0470515E+01 3.1379889E-02 3.5837060E-01 -2.3273153E-01 7.6331983E-02 19 1.1648733E+01 1.7915480E-03 4.5458002E-01 -3.3753223E-01 1.1456584E-01 20 6.6150426E+00 2.4883055E-04 2.2404635E-01 -5.3587649E-02 4.8496794E-03 21 3.6847220E+00 -1.8680188E-04 3.8486950E-02 4.0799362E-01 -1.7190580E-01 22 2.0272017E+00 -1.0341589E-05 2.4625402E-03 5.2638831E-01 -2.5852029E-01 23 1.0980336E+00 -3.2578297E-05 3.6043639E-04 2.3111316E-01 -9.1010276E-02 24 5.5604418E-01 8.0545361E-06 -2.3370369E-05 2.8830806E-02 2.8279094E-01 25 2.7296723E-01 -3.8949996E-06 -9.1670030E-06 1.1190523E-03 4.8291392E-01 26 1.2967571E-01 1.6579176E-06 -2.0113891E-06 3.0570245E-04 3.5321774E-01 27 5.9339740E-02 -4.2720117E-07 9.5754212E-08 -3.0261385E-05 8.3199377E-02 3d 4d 1 2.7282038E+04 6.8870674E-06 -2.9009534E-06 2 6.8242802E+03 5.1329319E-05 -2.1685680E-05 3 2.3770082E+03 3.1369383E-04 -1.3240973E-04 4 9.8286540E+02 1.5843991E-03 -6.7157848E-04 5 4.5280979E+02 6.6490271E-03 -2.8251129E-03 6 2.2486276E+02 2.2795544E-02 -9.7601298E-03 7 1.1749726E+02 6.3481498E-02 -2.7427835E-02 8 6.3743899E+01 1.4231655E-01 -6.2522895E-02 9 3.5470663E+01 2.4513237E-01 -1.0662002E-01 10 1.9992770E+01 3.1569792E-01 -1.3190516E-01 11 1.1403273E+01 2.7099360E-01 -7.8024971E-02 12 6.4869096E+00 1.3070269E-01 1.1174660E-01 13 3.6227035E+00 2.8768065E-02 3.2246610E-01 14 1.9992693E+00 1.8387809E-03 3.8490436E-01 15 1.1044448E+00 2.0324285E-04 2.4167033E-01 16 6.7735740E-01 -1.1374186E-04 7.1858508E-02 17 4.3172672E-01 8.9637765E-06 3.9299011E-02 18 1.8047375E-01 -1.2070504E-05 4.0754635E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.5931970E+07 8.5549974E-07 -2.9790987E-07 1.3380376E-07 -6.1009722E-08 2.1763407E-08 2 2.0191847E+07 5.7785992E-06 -2.0123855E-06 9.0385714E-07 -4.1213251E-07 1.4701327E-07 3 6.9130961E+06 1.9399745E-05 -6.7570532E-06 3.0349707E-06 -1.3838424E-06 4.9364817E-07 4 2.6338037E+06 5.9139325E-05 -2.0604216E-05 9.2549447E-06 -4.2200687E-06 1.5053469E-06 5 1.0927593E+06 1.5931567E-04 -5.5528349E-05 2.4943367E-05 -1.1373493E-05 4.0572403E-06 6 4.7735047E+05 4.1358026E-04 -1.4425920E-04 6.4809346E-05 -2.9553044E-05 1.0541889E-05 7 2.1743573E+05 1.0181725E-03 -3.5558119E-04 1.5977474E-04 -7.2857109E-05 2.5990727E-05 8 1.0220067E+05 2.4303143E-03 -8.5071448E-04 3.8239454E-04 -1.7439284E-04 6.2208685E-05 9 4.9400888E+04 5.5757244E-03 -1.9596567E-03 8.8139079E-04 -4.0199367E-04 1.4341291E-04 10 2.4488416E+04 1.2328095E-02 -4.3655533E-03 1.9657790E-03 -8.9684781E-04 3.1994083E-04 11 1.2433235E+04 2.6055094E-02 -9.3511181E-03 4.2193309E-03 -1.9256973E-03 6.8710636E-04 12 6.4552801E+03 5.2212923E-02 -1.9199869E-02 8.6958935E-03 -3.9723047E-03 1.4174094E-03 13 3.4223475E+03 9.7232045E-02 -3.7311941E-02 1.7010886E-02 -7.7808575E-03 2.7776162E-03 14 1.8515400E+03 1.6254925E-01 -6.7180485E-02 3.0989833E-02 -1.4212379E-02 5.0751429E-03 15 1.0228993E+03 2.3010763E-01 -1.0758284E-01 5.0630895E-02 -2.3316450E-02 8.3358990E-03 16 5.7797994E+02 2.5178398E-01 -1.4189697E-01 6.8982650E-02 -3.2001575E-02 1.1451652E-02 17 3.3491389E+02 1.8660074E-01 -1.2622180E-01 6.3948930E-02 -2.9922198E-02 1.0741830E-02 18 2.0113053E+02 7.7839881E-02 -1.9761880E-02 8.2825691E-03 -3.7759128E-03 1.3138006E-03 19 1.3225364E+02 1.6659928E-02 1.2307819E-01 -8.1501791E-02 4.0395746E-02 -1.4583471E-02 20 8.8031447E+01 3.8644187E-03 3.0017365E-01 -2.3260216E-01 1.1975777E-01 -4.3921274E-02 21 5.5587293E+01 -1.0133074E-04 4.0488162E-01 -3.9444130E-01 2.1343542E-01 -7.8667843E-02 22 3.3923181E+01 2.0234746E-04 2.6325341E-01 -2.9644346E-01 1.6841909E-01 -6.3291668E-02 23 2.0308052E+01 -1.8560864E-04 6.9013474E-02 1.4904915E-01 -9.4787284E-02 3.5781731E-02 24 1.2692152E+01 8.2734338E-05 4.8298510E-03 5.7423558E-01 -5.3535673E-01 2.2497133E-01 25 7.9547408E+00 -9.2361744E-05 1.6274706E-03 4.6724580E-01 -5.9865769E-01 2.6319107E-01 26 4.9988648E+00 6.3478119E-05 -5.7177999E-04 1.6099098E-01 -9.7931673E-02 2.4289189E-02 27 3.0707979E+00 -3.6493481E-05 1.0616088E-04 2.3156316E-02 4.9193641E-01 -2.6147143E-01 28 1.8815154E+00 2.5260249E-05 -1.8922992E-04 2.3499063E-03 6.6425914E-01 -5.0260986E-01 29 1.1061517E+00 -1.1656430E-05 3.8388843E-05 6.5210336E-04 2.9207625E-01 -3.4351318E-01 30 5.8274294E-01 5.6897982E-06 -1.7010271E-05 -7.9171369E-05 2.8474268E-02 2.5901200E-01 31 3.1156539E-01 -3.3237061E-06 1.2297013E-05 -3.9277017E-05 1.8246009E-04 6.2555426E-01 32 1.5990661E-01 1.4762593E-06 -2.3515847E-06 -2.5930684E-05 7.0191625E-04 4.2758787E-01 33 7.8476292E-02 -4.7447948E-07 1.0188074E-06 -2.3846555E-06 1.8129835E-05 7.2614922E-02 2p 3p 4p 5p 1 4.3943119E+07 7.4305129E-09 -3.5038587E-09 1.5541841E-09 -4.7718952E-10 2 1.0193776E+07 5.6310895E-08 -2.6555901E-08 1.1762916E-08 -3.6188366E-09 3 2.7769157E+06 3.0719585E-07 -1.4503399E-07 6.4350560E-08 -1.9757252E-08 4 8.4677403E+05 1.5102994E-06 -7.1341005E-07 3.1609809E-07 -9.7255731E-08 5 2.8182555E+05 7.0527088E-06 -3.3360876E-06 1.4806499E-06 -4.5467176E-07 6 1.0090806E+05 3.1591035E-05 -1.4954041E-05 6.6295172E-06 -2.0394934E-06 7 3.8598809E+04 1.3417286E-04 -6.3609671E-05 2.8239889E-05 -8.6744063E-06 8 1.5732528E+04 5.3053720E-04 -2.5189161E-04 1.1175224E-04 -3.4376247E-05 9 6.8186592E+03 1.9230945E-03 -9.1600456E-04 4.0700958E-04 -1.2505916E-04 10 3.1281268E+03 6.3330463E-03 -3.0326324E-03 1.3478378E-03 -4.1470083E-04 11 1.5084434E+03 1.8795886E-02 -9.0967463E-03 4.0549785E-03 -1.2467164E-03 12 7.5887458E+02 4.9637022E-02 -2.4481064E-02 1.0945981E-02 -3.3714664E-03 13 3.9564241E+02 1.1316846E-01 -5.7615434E-02 2.5953601E-02 -7.9938109E-03 14 2.1225470E+02 2.1178529E-01 -1.1255512E-01 5.1113066E-02 -1.5790600E-02 15 1.1647916E+02 3.0135328E-01 -1.6861926E-01 7.7690354E-02 -2.4013097E-02 16 6.5073114E+01 2.8305704E-01 -1.4522780E-01 6.4666009E-02 -1.9939115E-02 17 3.6600341E+01 1.4594762E-01 5.3683471E-02 -4.4125703E-02 1.4919716E-02 18 2.0470515E+01 3.0329513E-02 3.5818637E-01 -2.3241303E-01 7.6216818E-02 19 1.1648733E+01 7.8361634E-04 4.5481078E-01 -3.3750458E-01 1.1454950E-01 20 6.6150426E+00 -6.2438351E-04 2.2426706E-01 -5.3796774E-02 4.9358540E-03 21 3.6847220E+00 -1.0211429E-03 3.8572846E-02 4.0782944E-01 -1.7182913E-01 22 2.0272017E+00 -6.4698190E-04 2.5031169E-03 5.2633680E-01 -2.5848231E-01 23 1.0980336E+00 -7.5452641E-04 4.0744346E-04 2.3104746E-01 -9.0999912E-02 24 5.5604418E-01 -4.5605660E-04 5.4210644E-06 2.8770090E-02 2.8279618E-01 25 2.7296723E-01 -7.1690877E-04 3.6601427E-05 1.0226791E-03 4.8293141E-01 26 1.2967571E-01 -1.1071371E-04 4.8399732E-06 2.8992556E-04 3.5322298E-01 27 5.9339740E-02 -8.4435639E-04 5.3839227E-05 -1.4513605E-04 8.3220835E-02 3d 4d 1 2.7282038E+04 2.3360917E-06 -9.8263521E-07 2 6.8242802E+03 3.2537474E-05 -1.3753486E-05 3 2.3770082E+03 2.5554997E-04 -1.0781006E-04 4 9.8286540E+02 1.4364696E-03 -6.0868175E-04 5 4.5280979E+02 6.3304686E-03 -2.6885498E-03 6 2.2486276E+02 2.2229570E-02 -9.5143704E-03 7 1.1749726E+02 6.2662899E-02 -2.7064444E-02 8 6.3743899E+01 1.4138638E-01 -6.2098102E-02 9 3.5470663E+01 2.4433295E-01 -1.0625698E-01 10 1.9992770E+01 3.1520097E-01 -1.3169229E-01 11 1.1403273E+01 2.7079703E-01 -7.8009873E-02 12 6.4869096E+00 1.3058906E-01 1.1165192E-01 13 3.6227035E+00 2.8671318E-02 3.2238424E-01 14 1.9992693E+00 1.7605501E-03 3.8486990E-01 15 1.1044448E+00 1.6380624E-04 2.4166368E-01 16 6.7735740E-01 -1.4534197E-04 7.1849449E-02 17 4.3172672E-01 -7.8124949E-06 3.9293878E-02 18 1.8047375E-01 -4.0758904E-05 4.0635977E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.5931970E+07 7.7840716E-05 -2.7518234E-05 1.2374971E-05 -5.6468410E-06 2.0142021E-06 2 2.0191847E+07 1.7977163E-04 -6.3616551E-05 2.8608730E-05 -1.3053299E-05 4.6556972E-06 3 6.9130961E+06 3.4375063E-04 -1.2176825E-04 5.4780705E-05 -2.4999104E-05 8.9178328E-06 4 2.6338037E+06 6.1018031E-04 -2.1643967E-04 9.7378047E-05 -4.4427097E-05 1.5845528E-05 5 1.0927593E+06 1.0602692E-03 -3.7682005E-04 1.6967677E-04 -7.7438034E-05 2.7627615E-05 6 4.7735047E+05 1.8260761E-03 -6.5020342E-04 2.9285233E-04 -1.3360443E-04 4.7652728E-05 7 2.1743573E+05 3.1752970E-03 -1.1340747E-03 5.1145811E-04 -2.3345358E-04 8.3301870E-05 8 1.0220067E+05 5.6097383E-03 -2.0101202E-03 9.0697494E-04 -4.1385244E-04 1.4764204E-04 9 4.9400888E+04 1.0117938E-02 -3.6467583E-03 1.6480107E-03 -7.5243716E-04 2.6856840E-04 10 2.4488416E+04 1.8554416E-02 -6.7450302E-03 3.0511060E-03 -1.3927674E-03 4.9679668E-04 11 1.2433235E+04 3.4196455E-02 -1.2623774E-02 5.7250264E-03 -2.6148620E-03 9.3304920E-04 12 6.4552801E+03 6.2092603E-02 -2.3515861E-02 1.0701939E-02 -4.8921681E-03 1.7457296E-03 13 3.4223475E+03 1.0782911E-01 -4.2687571E-02 1.9564203E-02 -8.9624227E-03 3.2008760E-03 14 1.8515400E+03 1.7144479E-01 -7.3171262E-02 3.3919251E-02 -1.5571999E-02 5.5618593E-03 15 1.0228993E+03 2.3409882E-01 -1.1315364E-01 5.3498710E-02 -2.4662062E-02 8.8194139E-03 16 5.7797994E+02 2.4945682E-01 -1.4536719E-01 7.0961795E-02 -3.2941920E-02 1.1789540E-02 17 3.3491389E+02 1.8126723E-01 -1.2639775E-01 6.4270733E-02 -3.0099499E-02 1.0808678E-02 18 2.0113053E+02 7.4174664E-02 -1.7312699E-02 6.8618743E-03 -3.0817989E-03 1.0601624E-03 19 1.3225364E+02 1.5441939E-02 1.2552011E-01 -8.3450061E-02 4.1382814E-02 -1.4939268E-02 20 8.8031447E+01 3.5312920E-03 3.0202575E-01 -2.3521978E-01 1.2124752E-01 -4.4480706E-02 21 5.5587293E+01 -1.2350912E-04 4.0436396E-01 -3.9583742E-01 2.1433540E-01 -7.9006234E-02 22 3.3923181E+01 1.5966981E-04 2.6186973E-01 -2.9584081E-01 1.6817448E-01 -6.3213271E-02 23 2.0308052E+01 -1.7130029E-04 6.8389925E-02 1.5043557E-01 -9.5803910E-02 3.6183071E-02 24 1.2692152E+01 4.8420981E-05 4.7546216E-03 5.7461772E-01 -5.3631807E-01 2.2542550E-01 25 7.9547408E+00 -7.2439763E-05 1.5877527E-03 4.6680546E-01 -5.9864953E-01 2.6320529E-01 26 4.9988648E+00 3.8768027E-05 -5.5662595E-04 1.6072364E-01 -9.7573196E-02 2.4103906E-02 27 3.0707979E+00 -2.1692103E-05 8.9737421E-05 2.3109220E-02 4.9213408E-01 -2.6161617E-01 28 1.8815154E+00 1.2805263E-05 -1.8035873E-04 2.3368354E-03 6.6419533E-01 -5.0267226E-01 29 1.1061517E+00 -5.3378599E-06 3.2290440E-05 6.5289730E-04 2.9199065E-01 -3.4347746E-01 30 5.8274294E-01 1.7825550E-06 -1.4294656E-05 -8.1287530E-05 2.8460763E-02 2.5904585E-01 31 3.1156539E-01 -1.0676169E-06 1.0259267E-05 -3.8350124E-05 1.8036817E-04 6.2555380E-01 32 1.5990661E-01 2.2566437E-07 -1.4595994E-06 -2.6732511E-05 7.0203171E-04 4.2757825E-01 33 7.8476292E-02 -9.6077033E-08 6.7721659E-07 -2.2828701E-06 1.8045877E-05 7.2612360E-02 2p 3p 4p 5p 1 4.3943119E+07 1.3240267E-06 -6.1862253E-07 2.7372960E-07 -8.3982258E-08 2 1.0193776E+07 4.5406301E-06 -2.1232498E-06 9.4047225E-07 -2.8939933E-07 3 2.7769157E+06 1.1807539E-05 -5.5257595E-06 2.4456412E-06 -7.5027146E-07 4 8.4677403E+05 2.8643696E-05 -1.3420511E-05 5.9465455E-06 -1.8302195E-06 5 2.8182555E+05 6.8001929E-05 -3.1924323E-05 1.4137849E-05 -4.3376266E-06 6 1.0090806E+05 1.6237175E-04 -7.6409109E-05 3.3877062E-05 -1.0426885E-05 7 3.8598809E+04 4.0139285E-04 -1.8948673E-04 8.4014660E-05 -2.5787923E-05 8 1.5732528E+04 1.0476257E-03 -4.9635689E-04 2.2026895E-04 -6.7786480E-05 9 6.8186592E+03 2.8733944E-03 -1.3681301E-03 6.0773582E-04 -1.8667019E-04 10 3.1281268E+03 7.9844652E-03 -3.8277095E-03 1.7020661E-03 -5.2383402E-04 11 1.5084434E+03 2.1467660E-02 -1.0410066E-02 4.6419369E-03 -1.4271101E-03 12 7.5887458E+02 5.3527727E-02 -2.6467086E-02 1.1840991E-02 -3.6477401E-03 13 3.9564241E+02 1.1798882E-01 -6.0227278E-02 2.7143872E-02 -8.3608119E-03 14 2.1225470E+02 2.1647245E-01 -1.1532847E-01 5.2399133E-02 -1.6189785E-02 15 1.1647916E+02 3.0446996E-01 -1.7070070E-01 7.8682977E-02 -2.4321238E-02 16 6.5073114E+01 2.8422649E-01 -1.4580665E-01 6.4897545E-02 -2.0009409E-02 17 3.6600341E+01 1.4662145E-01 5.4291874E-02 -4.4582005E-02 1.5072305E-02 18 2.0470515E+01 3.1269636E-02 3.5881629E-01 -2.3302335E-01 7.6428348E-02 19 1.1648733E+01 1.7715096E-03 4.5470250E-01 -3.3768057E-01 1.1462074E-01 20 6.6150426E+00 2.4626595E-04 2.2397175E-01 -5.3478180E-02 4.8061643E-03 21 3.6847220E+00 -1.8766757E-04 3.8460303E-02 4.0810012E-01 -1.7194681E-01 22 2.0272017E+00 -1.0449656E-05 2.4569651E-03 5.2641069E-01 -2.5853909E-01 23 1.0980336E+00 -3.2705798E-05 3.6060080E-04 2.3109730E-01 -9.1000886E-02 24 5.5604418E-01 8.0366708E-06 -2.3882692E-05 2.8827532E-02 2.8280204E-01 25 2.7296723E-01 -3.9115586E-06 -9.0048271E-06 1.1181417E-03 4.8291749E-01 26 1.2967571E-01 1.6583353E-06 -2.0971151E-06 3.0584128E-04 3.5321717E-01 27 5.9339740E-02 -4.2765010E-07 1.0543843E-07 -3.0319534E-05 8.3198914E-02 3d 4d 1 2.7282038E+04 7.5948641E-06 -3.1928715E-06 2 6.8242802E+03 5.4256480E-05 -2.2922231E-05 3 2.3770082E+03 3.2376972E-04 -1.3658055E-04 4 9.8286540E+02 1.6169489E-03 -6.8528704E-04 5 4.5280979E+02 6.7379305E-03 -2.8625333E-03 6 2.2486276E+02 2.2988495E-02 -9.8426056E-03 7 1.1749726E+02 6.3805171E-02 -2.7568383E-02 8 6.3743899E+01 1.4273845E-01 -6.2713253E-02 9 3.5470663E+01 2.4551627E-01 -1.0679102E-01 10 1.9992770E+01 3.1593208E-01 -1.3201235E-01 11 1.1403273E+01 2.7104474E-01 -7.8028077E-02 12 6.4869096E+00 1.3068072E-01 1.1182281E-01 13 3.6227035E+00 2.8755913E-02 3.2252849E-01 14 1.9992693E+00 1.8368601E-03 3.8492935E-01 15 1.1044448E+00 2.0307421E-04 2.4166923E-01 16 6.7735740E-01 -1.1382607E-04 7.1855139E-02 17 4.3172672E-01 8.9460773E-06 3.9298867E-02 18 1.8047375E-01 -1.2075836E-05 4.0753653E-03 Exponents of diffuse functions ============================== s p d f g In 1.2420253E-02 8.0430304E-03 2.3965973E-02 5.5898258E-02 1.3933131E-01 Sn 1.7651251E-02 1.2380967E-02 3.1899924E-02 5.5534742E-02 1.4923001E-01 Sb 2.2312184E-02 1.5972559E-02 4.0933300E-02 7.1355575E-02 1.7345456E-01 Te 2.7539545E-02 1.9200404E-02 5.0421143E-02 9.7091055E-02 2.0503395E-01 I 3.2097135E-02 2.2475771E-02 6.0315220E-02 1.4874551E-01 2.4163056E-01 Xe 3.7408973E-02 2.6309878E-02 6.9866867E-02 1.7807485E-01 2.7000253E-01 Exponents of valence correlating functions ========================================== d d d f f g In 3.4162573E-01 1.8482052E-01 7.2672750E-02 4.0047235E-01 1.7097561E-01 3.4267673E-01 Sn 3.9545442E-01 2.1573367E-01 8.8334165E-02 3.9954786E-01 1.5152768E-01 3.5781554E-01 Sb 4.6153714E-01 2.6188458E-01 1.0878786E-01 4.5010884E-01 1.7626062E-01 3.8247061E-01 Te 5.3193820E-01 3.1487046E-01 1.3157014E-01 5.1552645E-01 2.0977931E-01 4.2323065E-01 I 6.0503310E-01 3.7251689E-01 1.5580080E-01 5.8827498E-01 2.5020121E-01 4.7312956E-01 Xe 6.7735740E-01 4.3172672E-01 1.8047375E-01 6.6571045E-01 2.9953537E-01 5.2868385E-01 Exponents of 4d core correlating functions ========================================== f f f g g h In 4.5617234E+00 1.8319022E+00 7.2208540E-01 3.0328235E+00 1.2081916E+00 2.3403684E+00 Sn 5.2523120E+00 2.1281807E+00 8.5520180E-01 3.3723276E+00 1.3846450E+00 2.6345927E+00 Sb 6.0349676E+00 2.4481571E+00 9.9562700E-01 3.7169013E+00 1.5650118E+00 2.9367648E+00 Te 6.9434074E+00 2.7971920E+00 1.1449506E+00 4.0679373E+00 1.7499032E+00 3.2476218E+00 I 8.0211128E+00 3.1800844E+00 1.3044671E+00 4.4263244E+00 1.9397114E+00 3.5676118E+00 Xe 9.3170251E+00 3.5995125E+00 1.4748346E+00 4.7926548E+00 2.1346697E+00 3.8968195E+00 Exponents of 3d core correlating functions ========================================== f f f g g h In 6.0530385E+01 2.2948514E+01 9.2548199E+00 4.2850169E+01 1.6048365E+01 2.8468844E+01 Sn 6.4128374E+01 2.4366030E+01 9.8563024E+00 4.5431194E+01 1.7065479E+01 3.0213947E+01 Sb 6.7832045E+01 2.5826273E+01 1.0476641E+01 4.8087466E+01 1.8113313E+01 3.2010783E+01 Te 7.1640851E+01 2.7328855E+01 1.1115664E+01 5.0820334E+01 1.9192258E+01 3.3859533E+01 I 7.5557256E+01 2.8874724E+01 1.1773717E+01 5.3629248E+01 2.0302201E+01 3.5760381E+01 Xe 7.9580930E+01 3.0463844E+01 1.2450901E+01 5.6514802E+01 2.1443323E+01 3.7713766E+01 Exponents of 2s2p core correlating functions ============================================ f f g In 2.5743018E+02 1.0077664E+02 1.8246303E+02 Sn 2.7175403E+02 1.0620364E+02 1.9132077E+02 Sb 2.8684435E+02 1.1187868E+02 2.0036326E+02 Te 3.0234217E+02 1.1770533E+02 2.0959121E+02 I 3.1710274E+02 1.2335535E+02 2.1910507E+02 Xe 3.3334692E+02 1.2945827E+02 2.2878530E+02 Exponents of 1s core correlating functions ========================================== f In 2.2510956E+03 Sn 2.3614415E+03 Sb 2.4758994E+03 Te 2.5941255E+03 I 2.7172133E+03 Xe 2.8441950E+03