5p-Block Triple-Zeta Basis Set Archive ====================================== Date: 15 Dec 2011 When publishing work that uses these basis sets, please use the following citation: K.G. Dyall, Theor. Chem. Acc. (2002) 108:335; erratum Theor. Chem. Acc. (2003) 109:284; revision Theor. Chem. Acc. (2006) 115:441. Basis sets available from the Dirac web site, http://dirac.chem.sdu.dk. For the 2p and 3d core correlating functions, 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 articles. NOTE: Functions are counted from the function with the smallest exponent to the largest. The SCF exponent sets were generated as follows: * Optimization of the s, p, and d sets separately, on the total energy of the configuration average of the s^2 p^n configuration, to yield a 28s 21p 14d set. * Replacement of the outermost SCF d exponent with the valence correlating 2d exponent set and reoptimization of the other 13 d exponents, with the correlating d exponents fixed The resulting primitive basis set is a 28s 21p 15d 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 2d1f exponent set for 5s5p correlation was optimized in MR-SDCI calculations on the ground configuration, with 2 s and 2 p exponents from the SCF set included in the correlating space and held fixed. (These are the 1st and 3rd s and p exponents, determined to be the optimal choice for valence correlation). * A 2f1g exponent 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. For 3d correlation, excitations into a 2f1g correlating space was used to optimize a 2f1g exponent set. For 2s2p correlation, excitations into a 2d1f correlating space were used to optimize an f exponent, with the d functions derived from uncontracted SCF primitives and held fixed. 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 d and an f exponent were optimized in MR-SDCI calculations on the negative ion for In - I, with 2 s and 2 p exponents from the SCF set, the correlating 2d1f set, and the diffuse sp set included in the correlating space, i.e. a 3s3p3d2f correlating space. * The s, p, d, and f exponents were extrapolated in a geometric sequence from Te and I to obtain exponents for Xe. 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 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 (equivalent to cc-pvtz). To the SCF occupied set, add the following: 1st and 3rd s primitives from the SCF set 1st and 3rd p primitives from the SCF set 1st and 2nd d primitives from the SCF set (correlating 2d) valence correlating 1f function. (HF + 2s2p2d1f valence) 2. Core-valence. To basis set 1, add the following: 4th and 6th s primitives from the SCF set 4th and 6th p primitives from the SCF set 3rd and 4th d primitives from the SCF set core correlating 2f1g functions. (HF + 2s2p2d1f valence + 2s2p2d2f1g core) 3. Inner core correlation. Add the correlating functions to the basis sets for the desired shells; uncontract 2s2p2d for 3d correlation and for 2s2p correlation, and 2s2p1d for 1s correlation. The uncontracted functions should be chosen to span the radial maxima of the shells. 4. Dipole polarization of the (n-1)d shell. To basis set 2, add the geometric mean of the valence correlating f exponent and the smallest core correlating f exponent. The optimal f exponent is not in the correlating sets. 5. Diffuse basis: add the diffuse s, p, d and f functions to any of the above basis sets. Dirac-Hartree-Fock basis sets ============================= ** In 115 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.8828511E+07 1.8933318E-05 -6.4761768E-06 2.8471130E-06 -1.2226430E-06 3.4035107E-07 2 2.0132218E+07 4.9336109E-05 -1.6905879E-05 7.4341749E-06 -3.1923645E-06 8.8851882E-07 3 6.4431973E+06 1.1318610E-04 -3.8870800E-05 1.7098483E-05 -7.3438114E-06 2.0445490E-06 4 2.2530565E+06 2.4632735E-04 -8.4857369E-05 3.7343058E-05 -1.6037326E-05 4.4632353E-06 5 8.4579103E+05 5.3602708E-04 -1.8539476E-04 8.1633559E-05 -3.5071145E-05 9.7656845E-06 6 3.3428916E+05 1.1687473E-03 -4.0607079E-04 1.7891322E-04 -7.6847791E-05 2.1384020E-05 7 1.3837094E+05 2.5704876E-03 -8.9810318E-04 3.9602299E-04 -1.7020529E-04 4.7407192E-05 8 5.9633004E+04 5.6794135E-03 -1.9965432E-03 8.8112447E-04 -3.7854298E-04 1.0531336E-04 9 2.6659986E+04 1.2504004E-02 -4.4357860E-03 1.9602548E-03 -8.4298356E-04 2.3488506E-04 10 1.2319769E+04 2.7080686E-02 -9.7359838E-03 4.3106690E-03 -1.8528209E-03 5.1534778E-04 11 5.8661124E+03 5.6576309E-02 -2.0858863E-02 9.2701129E-03 -3.9918169E-03 1.1129312E-03 12 2.8696677E+03 1.1066930E-01 -4.2675852E-02 1.9091827E-02 -8.2213010E-03 2.2863779E-03 13 1.4384857E+03 1.9279193E-01 -8.1018222E-02 3.6721692E-02 -1.5881238E-02 4.4339028E-03 14 7.3712296E+02 2.7474239E-01 -1.3429816E-01 6.2333866E-02 -2.7028726E-02 7.5179517E-03 15 3.8501138E+02 2.7575276E-01 -1.7166032E-01 8.3030420E-02 -3.6434306E-02 1.0221475E-02 16 2.0367818E+02 1.5308670E-01 -9.8550835E-02 4.9612632E-02 -2.1768451E-02 5.9946474E-03 17 1.0591992E+02 2.9883741E-02 1.9015877E-01 -1.2266045E-01 5.6486999E-02 -1.5724097E-02 18 5.7391516E+01 4.0075752E-05 4.9719674E-01 -4.1300899E-01 2.0379337E-01 -5.8538348E-02 19 3.1199772E+01 6.4188343E-04 3.9365245E-01 -4.3459052E-01 2.2446838E-01 -6.3729041E-02 20 1.6631752E+01 -3.9257273E-04 9.6514810E-02 1.2026747E-01 -6.7881883E-02 1.7556014E-02 21 9.2480314E+00 1.8782989E-04 2.5363657E-03 7.1249586E-01 -6.1963217E-01 2.0181767E-01 22 5.1239479E+00 -1.3072021E-04 1.8382155E-03 4.4367790E-01 -5.6778830E-01 1.8281700E-01 23 2.7148896E+00 6.8314406E-05 -7.5874389E-04 6.2965425E-02 3.5993517E-01 -1.4677571E-01 24 1.3988698E+00 -2.8163869E-05 1.7208254E-04 2.3632175E-03 7.9274658E-01 -3.8730605E-01 25 6.9570714E-01 1.1138235E-05 -1.0357752E-04 8.9452669E-04 3.1847578E-01 -2.5935020E-01 26 2.2700324E-01 -3.5492430E-06 2.7462354E-05 -3.3260681E-05 1.2373163E-02 3.7596373E-01 27 1.0307073E-01 1.9647492E-06 -1.5140633E-05 2.2379559E-05 -2.5590488E-03 6.3544604E-01 28 4.4796966E-02 -5.5026008E-07 4.3108931E-06 -8.1842254E-06 5.8449283E-04 2.2349376E-01 2p- 3p- 4p- 5p- 1 5.0126771E+06 3.4259629E-05 -1.5648825E-05 6.4133747E-06 -1.2956568E-06 2 7.5288398E+05 1.0789530E-04 -4.9289831E-05 2.0199137E-05 -4.0803206E-06 3 1.6015588E+05 2.9843299E-04 -1.3639369E-04 5.5912639E-05 -1.1297692E-05 4 4.2005870E+04 7.8085543E-04 -3.5727542E-04 1.4640944E-04 -2.9566479E-05 5 1.2991111E+04 2.0912928E-03 -9.5951528E-04 3.9384098E-04 -7.9634569E-05 6 4.6106469E+03 5.9809084E-03 -2.7575878E-03 1.1308530E-03 -2.2823480E-04 7 1.8280226E+03 1.7726017E-02 -8.2513596E-03 3.3985143E-03 -6.8797560E-04 8 7.8913992E+02 5.0437462E-02 -2.3894704E-02 9.8429994E-03 -1.9866063E-03 9 3.6362556E+02 1.2617653E-01 -6.1792497E-02 2.5715576E-02 -5.2164225E-03 10 1.7595191E+02 2.5162762E-01 -1.2919844E-01 5.4000066E-02 -1.0909337E-02 11 8.8206260E+01 3.5352794E-01 -1.9145546E-01 8.1693325E-02 -1.6673117E-02 12 4.5320837E+01 2.8209660E-01 -1.1426297E-01 4.2611123E-02 -8.2905995E-03 13 2.3361874E+01 9.4411499E-02 2.0740746E-01 -1.1947822E-01 2.4813616E-02 14 1.2035091E+01 7.6937401E-03 5.1396249E-01 -3.2317816E-01 7.0356067E-02 15 6.2746108E+00 8.5781869E-04 3.5835192E-01 -2.0484374E-01 4.0523680E-02 16 3.1249486E+00 -3.2631564E-04 6.5495537E-02 3.5307949E-01 -9.2379168E-02 17 1.5220137E+00 7.0515144E-05 1.3817739E-03 5.8970564E-01 -1.6575522E-01 18 7.0335611E-01 -6.4453175E-05 8.6325572E-04 2.6543623E-01 -6.4245850E-02 19 2.4523334E-01 1.6018659E-05 -1.4148939E-04 1.8434608E-02 2.6515521E-01 20 9.3797278E-02 -7.7407673E-06 6.0485867E-05 -1.2899706E-03 5.7048868E-01 21 3.4854707E-02 2.4770237E-06 -2.0850544E-05 5.0106260E-04 3.2163426E-01 2p+ 3p+ 4p+ 5p+ 1 5.0126771E+06 2.0493333E-07 -9.4552925E-08 3.8788866E-08 -7.7096837E-09 2 7.5288398E+05 2.0714372E-06 -9.5579577E-07 3.8981323E-07 -7.7131571E-08 3 1.6015588E+05 1.6452673E-05 -7.6059790E-06 3.1202274E-06 -6.2003287E-07 4 4.2005870E+04 1.1124080E-04 -5.1454916E-05 2.1008543E-05 -4.1592286E-06 5 1.2991111E+04 6.3333307E-04 -2.9367636E-04 1.2047345E-04 -2.3930824E-05 6 4.6106469E+03 3.0126704E-03 -1.4013479E-03 5.7298667E-04 -1.1348979E-04 7 1.8280226E+03 1.2016823E-02 -5.6371102E-03 2.3170920E-03 -4.6033454E-04 8 7.8913992E+02 4.0284886E-02 -1.9206221E-02 7.8897401E-03 -1.5636920E-03 9 3.6362556E+02 1.1095015E-01 -5.4639944E-02 2.2674056E-02 -4.5111126E-03 10 1.7595191E+02 2.3665690E-01 -1.2213993E-01 5.0912228E-02 -1.0105802E-02 11 8.8206260E+01 3.5304839E-01 -1.9353140E-01 8.2375700E-02 -1.6468042E-02 12 4.5320837E+01 3.0196204E-01 -1.3785193E-01 5.3973236E-02 -1.0522238E-02 13 2.3361874E+01 1.1119802E-01 1.7084422E-01 -9.9562364E-02 2.0398334E-02 14 1.2035091E+01 1.0471186E-02 5.0609960E-01 -3.1418522E-01 6.6601744E-02 15 6.2746108E+00 9.9917862E-04 3.8913097E-01 -2.3825299E-01 4.8069252E-02 16 3.1249486E+00 -3.7271735E-04 8.0338308E-02 3.0962040E-01 -8.0001899E-02 17 1.5220137E+00 8.7225653E-05 1.9561832E-03 5.9533318E-01 -1.6046758E-01 18 7.0335611E-01 -7.6436200E-05 1.1043481E-03 3.0023428E-01 -8.3300955E-02 19 2.4523334E-01 1.9474663E-05 -1.9254174E-04 2.5309835E-02 2.3189217E-01 20 9.3797278E-02 -9.4067931E-06 8.4539094E-05 -2.3086820E-03 5.6449110E-01 21 3.4854707E-02 3.0093288E-06 -2.8829302E-05 8.4825705E-04 3.6159717E-01 3d- 4d- 1 5.5359909E+03 8.8940301E-05 -3.1680031E-05 2 1.4998106E+03 6.5064043E-04 -2.3265510E-04 3 5.5192905E+02 3.7044085E-03 -1.3252890E-03 4 2.3701009E+02 1.6258943E-02 -5.8604026E-03 5 1.1152551E+02 5.4337448E-02 -1.9707662E-02 6 5.5586452E+01 1.3934929E-01 -5.1428940E-02 7 2.8785214E+01 2.6119263E-01 -9.5672067E-02 8 1.5156364E+01 3.4523852E-01 -1.2113661E-01 9 8.0839190E+00 2.8499581E-01 -6.5382791E-02 10 4.2862034E+00 1.1584936E-01 1.3491179E-01 11 2.2133167E+00 1.7429218E-02 3.4203781E-01 12 1.1038262E+00 8.4750414E-04 3.8739407E-01 13 5.3020624E-01 3.2831231E-05 2.6004646E-01 14 2.3976347E-01 1.7879209E-06 8.5492538E-02 15 8.8661618E-02 -3.1437240E-06 5.7862106E-03 3d+ 4d+ 1 5.5359909E+03 4.1190844E-05 -1.4569411E-05 2 1.4998106E+03 4.7783608E-04 -1.6988479E-04 3 5.5192905E+02 3.1869465E-03 -1.1329768E-03 4 2.3701009E+02 1.4995290E-02 -5.3712872E-03 5 1.1152551E+02 5.1891272E-02 -1.8701626E-02 6 5.5586452E+01 1.3562612E-01 -4.9746710E-02 7 2.8785214E+01 2.5757494E-01 -9.3886018E-02 8 1.5156364E+01 3.4504800E-01 -1.2078486E-01 9 8.0839190E+00 2.8956929E-01 -6.8726384E-02 10 4.2862034E+00 1.2014319E-01 1.2731541E-01 11 2.2133167E+00 1.8555437E-02 3.3561513E-01 12 1.1038262E+00 9.0512821E-04 3.8836626E-01 13 5.3020624E-01 4.2155015E-05 2.6766025E-01 14 2.3976347E-01 7.2733131E-07 9.1948292E-02 15 8.8661618E-02 -2.8367816E-06 6.7113983E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.8828511E+07 -3.5174266E-05 1.2014455E-05 -5.2808788E-06 2.2680235E-06 -6.3154346E-07 2 2.0132218E+07 -1.2594418E-04 4.3012375E-05 -1.8905051E-05 8.1162973E-06 -2.2583220E-06 3 6.4431973E+06 -2.7018036E-04 9.2305455E-05 -4.0573681E-05 1.7426617E-05 -4.8531052E-06 4 2.2530565E+06 -5.5220624E-04 1.8865293E-04 -8.2921508E-05 3.5597103E-05 -9.9030163E-06 5 8.4579103E+05 -1.0536103E-03 3.6021434E-04 -1.5835227E-04 6.8019630E-05 -1.8945620E-05 6 3.3428916E+05 -1.9512193E-03 6.6741666E-04 -2.9341071E-04 1.2595225E-04 -3.5034306E-05 7 1.3837094E+05 -3.4820733E-03 1.1934063E-03 -5.2481941E-04 2.2546871E-04 -6.2811319E-05 8 5.9633004E+04 -6.0335484E-03 2.0735435E-03 -9.1220210E-04 3.9159941E-04 -1.0890766E-04 9 2.6659986E+04 -1.0111436E-02 3.4985575E-03 -1.5407096E-03 6.6216486E-04 -1.8451599E-04 10 1.2319769E+04 -1.6336149E-02 5.7196244E-03 -2.5231142E-03 1.0836114E-03 -3.0131298E-04 11 5.8661124E+03 -2.5117678E-02 9.0147723E-03 -3.9916082E-03 1.7176668E-03 -4.7888557E-04 12 2.8696677E+03 -3.5901965E-02 1.3482168E-02 -6.0099429E-03 2.5860341E-03 -7.1903425E-04 13 1.4384857E+03 -4.5572286E-02 1.8669436E-02 -8.4337501E-03 3.6450945E-03 -1.0176246E-03 14 7.3712296E+02 -4.7356373E-02 2.2600924E-02 -1.0459092E-02 4.5324325E-03 -1.2605000E-03 15 3.8501138E+02 -3.4738044E-02 2.1166969E-02 -1.0215538E-02 4.4807831E-03 -1.2569894E-03 16 2.0367818E+02 -1.4113791E-02 8.9856206E-03 -4.5288973E-03 1.9877802E-03 -5.4755510E-04 17 1.0591992E+02 -1.9926570E-03 -1.2264793E-02 7.8736878E-03 -3.6222911E-03 1.0079943E-03 18 5.7391516E+01 -1.5912925E-06 -2.3822518E-02 1.9721601E-02 -9.7260063E-03 2.7935221E-03 19 3.1199772E+01 -2.3202189E-05 -1.3935549E-02 1.5347822E-02 -7.9255726E-03 2.2501063E-03 20 1.6631752E+01 1.0360922E-05 -2.4970373E-03 -3.0838631E-03 1.7369023E-03 -4.4860647E-04 21 9.2480314E+00 -3.7105701E-06 -4.8412156E-05 -1.3695695E-02 1.1902416E-02 -3.8762861E-03 22 5.1239479E+00 1.9122462E-06 -2.6643423E-05 -6.3512496E-03 8.1241939E-03 -2.6158945E-03 23 2.7148896E+00 -7.2648782E-07 8.0671086E-06 -6.5616763E-04 -3.7471161E-03 1.5278237E-03 24 1.3988698E+00 2.1462419E-07 -1.3577106E-06 -1.7656065E-05 -5.9258579E-03 2.8948526E-03 25 6.9570714E-01 -5.9557973E-08 5.7183020E-07 -4.7229599E-06 -1.6789391E-03 1.3671256E-03 26 2.2700324E-01 1.0727628E-08 -9.1116437E-08 1.0224111E-07 -3.7260484E-05 -1.1320155E-03 27 1.0307073E-01 -3.9473260E-09 3.5536818E-08 -4.6604170E-08 5.1930144E-06 -1.2892745E-03 28 4.4796966E-02 7.0988140E-10 -7.2379503E-09 1.1313718E-08 -7.8198593E-07 -2.9894247E-04 2p- 3p- 4p- 5p- 1 5.0126771E+06 -7.9467762E-06 3.6326220E-06 -1.4901484E-06 3.0131027E-07 2 7.5288398E+05 -2.9721454E-05 1.3594981E-05 -5.5662271E-06 1.1230417E-06 3 1.6015588E+05 -9.4566983E-05 4.3324345E-05 -1.7791345E-05 3.6002300E-06 4 4.2005870E+04 -2.8491995E-04 1.3071215E-04 -5.3526707E-05 1.0795830E-05 5 1.2991111E+04 -8.0483817E-04 3.7024665E-04 -1.5218646E-04 3.0805158E-05 6 4.6106469E+03 -2.0949749E-03 9.6750288E-04 -3.9664580E-04 8.0004761E-05 7 1.8280226E+03 -4.9463037E-03 2.3046773E-03 -9.4971387E-04 1.9232795E-04 8 7.8913992E+02 -1.0393094E-02 4.9260954E-03 -2.0290278E-03 4.0944337E-04 9 3.6362556E+02 -1.8652119E-02 9.1397508E-03 -3.8043301E-03 7.7180116E-04 10 1.7595191E+02 -2.6551490E-02 1.3646500E-02 -5.7042930E-03 1.1523574E-03 11 8.8206260E+01 -2.6711954E-02 1.4495393E-02 -6.1876453E-03 1.2629852E-03 12 4.5320837E+01 -1.5295396E-02 6.2252250E-03 -2.3246766E-03 4.5234882E-04 13 2.3361874E+01 -3.5903758E-03 -8.1845563E-03 4.7069475E-03 -9.7738163E-04 14 1.2035091E+01 -1.3231717E-04 -1.4553646E-02 9.1450536E-03 -1.9907234E-03 15 6.2746108E+00 3.5877000E-05 -7.3308236E-03 4.1910886E-03 -8.2928842E-04 16 3.1249486E+00 3.9679045E-05 -9.4734673E-04 -5.0876647E-03 1.3312273E-03 17 1.5220137E+00 1.8795095E-05 -1.5155705E-05 -5.9335549E-03 1.6679104E-03 18 7.0335611E-01 1.4667139E-05 -6.7918176E-06 -1.8146492E-03 4.3933492E-04 19 2.4523334E-01 8.0550062E-06 6.0530556E-08 -7.3516440E-05 -1.0714218E-03 20 9.3797278E-02 2.3914664E-06 -2.9831718E-07 3.5089074E-06 -1.4255237E-03 21 3.4854707E-02 2.6977708E-06 -1.3783320E-07 -4.4016712E-07 -4.8995126E-04 2p+ 3p+ 4p+ 5p+ 1 5.0126771E+06 -6.2913665E-07 2.9027730E-07 -1.1976664E-07 2.3908809E-08 2 7.5288398E+05 -5.0264387E-06 2.3142101E-06 -9.4040122E-07 1.8560019E-07 3 1.6015588E+05 -2.8815309E-05 1.3289267E-05 -5.4576525E-06 1.0857208E-06 4 4.2005870E+04 -1.3065786E-04 6.0226369E-05 -2.4556148E-05 4.8584441E-06 5 1.2991111E+04 -4.8310149E-04 2.2318073E-04 -9.1522320E-05 1.8183068E-05 6 4.6106469E+03 -1.4948079E-03 6.9257450E-04 -2.8292359E-04 5.6024635E-05 7 1.8280226E+03 -3.9469706E-03 1.8444987E-03 -7.5770341E-04 1.5052869E-04 8 7.8913992E+02 -8.9472552E-03 4.2502084E-03 -1.7446866E-03 3.4573980E-04 9 3.6362556E+02 -1.7005896E-02 8.3474995E-03 -3.4620180E-03 6.8874491E-04 10 1.7595191E+02 -2.5462159E-02 1.3103774E-02 -5.4592854E-03 1.0835527E-03 11 8.8206260E+01 -2.7029583E-02 1.4782605E-02 -6.2898874E-03 1.2573821E-03 12 4.5320837E+01 -1.6616206E-02 7.5798582E-03 -2.9690942E-03 5.7889933E-04 13 2.3361874E+01 -4.3973250E-03 -6.7206547E-03 3.9149021E-03 -8.0202039E-04 14 1.2035091E+01 -2.9748442E-04 -1.4322024E-02 8.8869828E-03 -1.8837824E-03 15 6.2746108E+00 -2.0337627E-05 -7.9564610E-03 4.8703756E-03 -9.8268007E-04 16 3.1249486E+00 5.3234165E-06 -1.1592662E-03 -4.4645697E-03 1.1535164E-03 17 1.5220137E+00 -8.4895091E-07 -1.9745012E-05 -5.9924048E-03 1.6151127E-03 18 7.0335611E-01 5.1124256E-07 -7.5398463E-06 -2.0544630E-03 5.6999333E-04 19 2.4523334E-01 -7.4353505E-08 7.7152283E-07 -1.0226545E-04 -9.3689217E-04 20 9.3797278E-02 2.1451718E-08 -2.0817609E-07 5.7690777E-06 -1.4104979E-03 21 3.4854707E-02 -3.8951702E-09 4.2883134E-08 -1.2920758E-06 -5.5077861E-04 3d- 4d- 1 5.5359909E+03 -3.2897781E-05 1.1710050E-05 2 1.4998106E+03 -1.9229557E-04 6.8788857E-05 3 5.5192905E+02 -7.6229378E-04 2.7269429E-04 4 2.3701009E+02 -2.3162401E-03 8.3491616E-04 5 1.1152551E+02 -5.4330220E-03 1.9704904E-03 6 5.5586452E+01 -9.9370743E-03 3.6676861E-03 7 2.8785214E+01 -1.3465711E-02 4.9333005E-03 8 1.5156364E+01 -1.2943987E-02 4.5429630E-03 9 8.0839190E+00 -7.8097360E-03 1.7929420E-03 10 4.2862034E+00 -2.3095732E-03 -2.6947800E-03 11 2.2133167E+00 -2.4733775E-04 -4.9111587E-03 12 1.1038262E+00 -7.2668188E-06 -3.9285803E-03 13 5.3020624E-01 3.5011321E-07 -1.8277508E-03 14 2.3976347E-01 2.1961483E-07 -4.0403962E-04 15 8.8661618E-02 1.1637212E-07 -1.6595368E-05 3d+ 4d+ 1 5.5359909E+03 -2.5909892E-05 9.1568429E-06 2 1.4998106E+03 -1.6804187E-04 5.9715173E-05 3 5.5192905E+02 -7.0110090E-04 2.4910372E-04 4 2.3701009E+02 -2.1945837E-03 7.8573190E-04 5 1.1152551E+02 -5.2496059E-03 1.8911376E-03 6 5.5586452E+01 -9.7276409E-03 3.5667020E-03 7 2.8785214E+01 -1.3322265E-02 4.8544957E-03 8 1.5156364E+01 -1.2962113E-02 4.5363762E-03 9 8.0839190E+00 -7.9489829E-03 1.8869077E-03 10 4.2862034E+00 -2.4019579E-03 -2.5434623E-03 11 2.2133167E+00 -2.6661756E-04 -4.8195973E-03 12 1.1038262E+00 -9.1699186E-06 -3.9388624E-03 13 5.3020624E-01 -3.0236053E-07 -1.8814631E-03 14 2.3976347E-01 -1.1568578E-09 -4.3463845E-04 15 8.8661618E-02 7.5550482E-09 -1.9291802E-05 ** Sn 120 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.7453440E+07 2.0736358E-05 -7.1207074E-06 3.1451783E-06 -1.3684700E-06 4.1147054E-07 2 1.9906794E+07 5.3597800E-05 -1.8439282E-05 8.1466672E-06 -3.5445495E-06 1.0655923E-06 3 6.4265151E+06 1.2169922E-04 -4.1962290E-05 1.8545415E-05 -8.0704059E-06 2.4268852E-06 4 2.2676765E+06 2.6191187E-04 -9.0595870E-05 4.0057077E-05 -1.7430429E-05 5.2396369E-06 5 8.5872426E+05 5.6399019E-04 -1.9587985E-04 8.6659410E-05 -3.7721735E-05 1.1345537E-05 6 3.4193439E+05 1.2169310E-03 -4.2463430E-04 1.8798478E-04 -8.1814002E-05 2.4590129E-05 7 1.4242117E+05 2.6500087E-03 -9.3000484E-04 4.1205354E-04 -1.7943230E-04 5.3982893E-05 8 6.1687109E+04 5.8020735E-03 -2.0491465E-03 9.0870716E-04 -3.9557765E-04 1.1887086E-04 9 2.7687916E+04 1.2672141E-02 -4.5169436E-03 2.0057918E-03 -8.7394913E-04 2.6303407E-04 10 1.2835562E+04 2.7253126E-02 -9.8462090E-03 4.3807899E-03 -1.9080454E-03 5.7323302E-04 11 6.1281590E+03 5.6597728E-02 -2.0967583E-02 9.3639488E-03 -4.0854297E-03 1.2303673E-03 12 3.0049367E+03 1.1019759E-01 -4.2686697E-02 1.9190343E-02 -8.3742912E-03 2.5155526E-03 13 1.5094238E+03 1.9144916E-01 -8.0736573E-02 3.6770268E-02 -1.6112003E-02 4.8593011E-03 14 7.7488685E+02 2.7287975E-01 -1.3358943E-01 6.2295297E-02 -2.7376513E-02 8.2251398E-03 15 4.0540783E+02 2.7531218E-01 -1.7097465E-01 8.3048327E-02 -3.6918985E-02 1.1190358E-02 16 2.1482495E+02 1.5493765E-01 -1.0014069E-01 5.0602990E-02 -2.2521593E-02 6.6999537E-03 17 1.1207568E+02 3.1160709E-02 1.8343309E-01 -1.1903127E-01 5.5628666E-02 -1.6724822E-02 18 6.0874379E+01 1.1954362E-04 4.9210642E-01 -4.0885276E-01 2.0445171E-01 -6.3520826E-02 19 3.3189024E+01 6.6711165E-04 3.9904554E-01 -4.4149279E-01 2.3163230E-01 -7.1130268E-02 20 1.7795138E+01 -4.1004512E-04 1.0198130E-01 1.0001192E-01 -5.6864527E-02 1.5325136E-02 21 9.9322519E+00 2.0157560E-04 3.1551092E-03 7.0702420E-01 -6.2027956E-01 2.1947542E-01 22 5.5310839E+00 -1.4268150E-04 1.8950602E-03 4.5819496E-01 -5.9274700E-01 2.0734852E-01 23 2.9689790E+00 7.6167472E-05 -7.9582925E-04 7.0117123E-02 3.3149478E-01 -1.4634183E-01 24 1.5424123E+00 -3.2282585E-05 1.8378225E-04 2.9569832E-03 8.0532870E-01 -4.3264836E-01 25 7.8022235E-01 1.3277381E-05 -1.1485349E-04 8.9740290E-04 3.3683407E-01 -2.9996323E-01 26 2.7401601E-01 -4.4102440E-06 3.2482245E-05 -3.8141206E-05 1.4370186E-02 4.0674774E-01 27 1.2641210E-01 2.2961504E-06 -1.6419627E-05 1.3305127E-05 -2.4383950E-03 6.5029512E-01 28 5.5350026E-02 -6.2187095E-07 4.6186361E-06 -8.0198385E-06 5.7540873E-04 2.1210818E-01 2p- 3p- 4p- 5p- 1 5.6198038E+06 3.4185255E-05 -1.5705770E-05 6.5492501E-06 -1.5421281E-06 2 8.5052658E+05 1.0740162E-04 -4.9349887E-05 2.0577541E-05 -4.8446828E-06 3 1.8127578E+05 2.9560390E-04 -1.3588285E-04 5.6675751E-05 -1.3348264E-05 4 4.7466619E+04 7.6698955E-04 -3.5295017E-04 1.4717203E-04 -3.4635328E-05 5 1.4609933E+04 2.0258980E-03 -9.3472858E-04 3.9033256E-04 -9.2013842E-05 6 5.1526078E+03 5.7023174E-03 -2.6437134E-03 1.1032068E-03 -2.5940016E-04 7 2.0306250E+03 1.6729248E-02 -7.8274532E-03 3.2796344E-03 -7.7428459E-04 8 8.7220072E+02 4.7542466E-02 -2.2625636E-02 9.4832027E-03 -2.2292392E-03 9 4.0027255E+02 1.1986940E-01 -5.8900482E-02 2.4929638E-02 -5.8998431E-03 10 1.9310673E+02 2.4300971E-01 -1.2510771E-01 5.3200688E-02 -1.2514174E-02 11 9.6590891E+01 3.5081279E-01 -1.9066465E-01 8.2732628E-02 -1.9723610E-02 12 4.9579132E+01 2.9229278E-01 -1.2684089E-01 4.9645822E-02 -1.1252066E-02 13 2.5594137E+01 1.0448138E-01 1.8499568E-01 -1.1022960E-01 2.6570645E-02 14 1.3182877E+01 9.5658221E-03 5.0907113E-01 -3.2462765E-01 8.3097173E-02 15 6.8825925E+00 8.5452727E-04 3.7665933E-01 -2.2801727E-01 5.2700854E-02 16 3.4476110E+00 -3.1792786E-04 7.4104030E-02 3.3462753E-01 -1.0267474E-01 17 1.6923965E+00 6.5418541E-05 1.7485412E-03 5.9987137E-01 -2.0379124E-01 18 7.9385513E-01 -6.6997753E-05 9.4246280E-04 2.7557627E-01 -7.4609378E-02 19 2.8502375E-01 1.7718252E-05 -1.7657778E-04 1.9366923E-02 3.2745058E-01 20 1.1393593E-01 -8.5167882E-06 7.2312171E-05 -1.2459284E-03 5.6914099E-01 21 4.3676730E-02 2.7429415E-06 -2.5820837E-05 5.6178818E-04 2.6507388E-01 2p+ 3p+ 4p+ 5p+ 1 5.6198038E+06 1.9350055E-07 -8.9837479E-08 3.7517075E-08 -8.6941659E-09 2 8.5052658E+05 1.9128046E-06 -8.8830497E-07 3.6894290E-07 -8.4872560E-08 3 1.8127578E+05 1.4942851E-05 -6.9515342E-06 2.9030713E-06 -6.7246322E-07 4 4.7466619E+04 1.0015673E-04 -4.6628669E-05 1.9387194E-05 -4.4637619E-06 5 1.4609933E+04 5.7067879E-04 -2.6629517E-04 1.1121157E-04 -2.5743992E-05 6 5.1526078E+03 2.7325162E-03 -1.2790311E-03 5.3254752E-04 -1.2269730E-04 7 2.0306250E+03 1.1001128E-02 -5.1904844E-03 2.1718446E-03 -5.0277626E-04 8 8.7220072E+02 3.7295696E-02 -1.7872020E-02 7.4750283E-03 -1.7234001E-03 9 4.0027255E+02 1.0425928E-01 -5.1542725E-02 2.1767373E-02 -5.0470216E-03 10 1.9310673E+02 2.2699729E-01 -1.1751432E-01 4.9868592E-02 -1.1513127E-02 11 9.6590891E+01 3.4886654E-01 -1.9186354E-01 8.3092993E-02 -1.9378654E-02 12 4.9579132E+01 3.1214710E-01 -1.5007731E-01 6.1013940E-02 -1.3822028E-02 13 2.5594137E+01 1.2297522E-01 1.4645628E-01 -8.9109341E-02 2.1172019E-02 14 1.3182877E+01 1.3061500E-02 4.9804830E-01 -3.1373669E-01 7.8079067E-02 15 6.8825925E+00 9.8263004E-04 4.0824875E-01 -2.6187479E-01 6.1575683E-02 16 3.4476110E+00 -3.4825555E-04 9.0916515E-02 2.8772313E-01 -8.7297755E-02 17 1.6923965E+00 7.4269380E-05 2.5530754E-03 6.0429172E-01 -1.9621924E-01 18 7.9385513E-01 -7.6859395E-05 1.2012219E-03 3.1232494E-01 -9.9190909E-02 19 2.8502375E-01 2.0542810E-05 -2.3603395E-04 2.6779410E-02 2.8819666E-01 20 1.1393593E-01 -9.9042493E-06 1.0000887E-04 -2.3174213E-03 5.6961120E-01 21 4.3676730E-02 3.1959029E-06 -3.5215790E-05 9.4558211E-04 3.0761567E-01 3d- 4d- 1 6.2527412E+03 8.1683175E-05 -3.0378638E-05 2 1.6829840E+03 5.8628257E-04 -2.1882906E-04 3 6.1704394E+02 3.3221794E-03 -1.2408296E-03 4 2.6435776E+02 1.4686749E-02 -5.5252723E-03 5 1.2431471E+02 4.9763954E-02 -1.8837414E-02 6 6.1971429E+01 1.3004488E-01 -5.0086424E-02 7 3.2143143E+01 2.5038642E-01 -9.6069712E-02 8 1.6974442E+01 3.4158355E-01 -1.2599898E-01 9 9.0902548E+00 2.9579011E-01 -7.7924507E-02 10 4.8530529E+00 1.2910554E-01 1.2038890E-01 11 2.5309574E+00 2.1701502E-02 3.4008561E-01 12 1.2789815E+00 1.0677015E-03 3.9650377E-01 13 6.2539467E-01 5.2832820E-05 2.6110013E-01 14 2.8842500E-01 -1.0952272E-05 8.0348412E-02 15 1.0993873E-01 -2.8041730E-06 5.5370872E-03 3d+ 4d+ 1 6.2527412E+03 3.5686848E-05 -1.3196462E-05 2 1.6829840E+03 4.1847590E-04 -1.5548934E-04 3 6.1704394E+02 2.8188923E-03 -1.0474887E-03 4 2.6435776E+02 1.3444343E-02 -5.0324252E-03 5 1.2431471E+02 4.7323839E-02 -1.7822095E-02 6 6.1971429E+01 1.2625602E-01 -4.8384066E-02 7 3.2143143E+01 2.4650976E-01 -9.4227276E-02 8 1.6974442E+01 3.4097272E-01 -1.2560476E-01 9 9.0902548E+00 3.0025335E-01 -8.1276441E-02 10 4.8530529E+00 1.3379724E-01 1.1263604E-01 11 2.5309574E+00 2.3095660E-02 3.3346252E-01 12 1.2789815E+00 1.1510790E-03 3.9763536E-01 13 6.2539467E-01 6.4314852E-05 2.6886875E-01 14 2.8842500E-01 -1.2093184E-05 8.6124426E-02 15 1.0993873E-01 -2.4619405E-06 6.3071447E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.7453440E+07 -3.7701846E-05 1.2927647E-05 -5.7089111E-06 2.4841622E-06 -7.4715737E-07 2 1.9906794E+07 -1.3447495E-04 4.6104358E-05 -2.0359236E-05 8.8562266E-06 -2.6616465E-06 3 6.4265151E+06 -2.8572049E-04 9.7993383E-05 -4.3275870E-05 1.8832073E-05 -5.6648084E-06 4 2.2676765E+06 -5.7963320E-04 1.9879672E-04 -8.7790949E-05 3.8186330E-05 -1.1474392E-05 5 8.5872426E+05 -1.0980177E-03 3.7686171E-04 -1.6644802E-04 7.2438547E-05 -2.1793595E-05 6 3.4193439E+05 -2.0224488E-03 6.9450881E-04 -3.0675863E-04 1.3342639E-04 -4.0086270E-05 7 1.4242117E+05 -3.5919885E-03 1.2359324E-03 -5.4607557E-04 2.3768796E-04 -7.1522996E-05 8 6.1687109E+04 -6.2008368E-03 2.1395548E-03 -9.4568729E-04 4.1135850E-04 -1.2356702E-04 9 2.7687916E+04 -1.0358590E-02 3.5983451E-03 -1.5921247E-03 6.9326184E-04 -2.0866745E-04 10 1.2835562E+04 -1.6687886E-02 5.8661301E-03 -2.6000191E-03 1.1314803E-03 -3.3982677E-04 11 6.1281590E+03 -2.5592909E-02 9.2204146E-03 -4.1019624E-03 1.7883651E-03 -5.3857508E-04 12 3.0049367E+03 -3.6512350E-02 1.3759099E-02 -6.1624945E-03 2.6870551E-03 -8.0697830E-04 13 1.5094238E+03 -4.6322252E-02 1.9023244E-02 -8.6336318E-03 3.7805490E-03 -1.1401267E-03 14 7.7488685E+02 -4.8227198E-02 2.3027738E-02 -1.0705002E-02 4.7014381E-03 -1.4123017E-03 15 4.0540783E+02 -3.5609684E-02 2.1625575E-02 -1.0479812E-02 4.6567205E-03 -1.4113880E-03 16 2.1482495E+02 -1.4683334E-02 9.3778674E-03 -4.7441991E-03 2.1121177E-03 -6.2851565E-04 17 1.1207568E+02 -2.1396604E-03 -1.2160650E-02 7.8515341E-03 -3.6654406E-03 1.1016108E-03 18 6.0874379E+01 -5.6688249E-06 -2.4282353E-02 2.0102242E-02 -1.0046472E-02 3.1210644E-03 19 3.3189024E+01 -2.4886583E-05 -1.4571480E-02 1.6080282E-02 -8.4346166E-03 2.5900480E-03 20 1.7795138E+01 1.1199778E-05 -2.7296239E-03 -2.6486496E-03 1.5019196E-03 -4.0390112E-04 21 9.9322519E+00 -4.1259123E-06 -6.2550462E-05 -1.4084025E-02 1.2346955E-02 -4.3682666E-03 22 5.5310839E+00 2.1674334E-06 -2.8538875E-05 -6.8149306E-03 8.8118270E-03 -3.0825170E-03 23 2.9689790E+00 -8.4611650E-07 8.8485286E-06 -7.6414670E-04 -3.6086891E-03 1.5928662E-03 24 1.5424123E+00 2.5770171E-07 -1.5220887E-06 -2.3208596E-05 -6.3212369E-03 3.3955798E-03 25 7.8022235E-01 -7.4917100E-08 6.7125248E-07 -5.0161711E-06 -1.8805168E-03 1.6745117E-03 26 2.7401601E-01 1.4549244E-08 -1.1765185E-07 1.2798116E-07 -4.7544182E-05 -1.3455600E-03 27 1.2641210E-01 -5.0518332E-09 4.2428046E-08 -3.0865938E-08 5.4793571E-06 -1.4611834E-03 28 5.5350026E-02 8.7412450E-10 -8.4976003E-09 1.2212623E-08 -8.5553331E-07 -3.1536616E-04 2p- 3p- 4p- 5p- 1 5.6198038E+06 -8.0353408E-06 3.6943249E-06 -1.5418356E-06 3.6348783E-07 2 8.5052658E+05 -2.9758834E-05 1.3691609E-05 -5.7044787E-06 1.3407729E-06 3 1.8127578E+05 -9.3490057E-05 4.3077016E-05 -1.7996801E-05 4.2473008E-06 4 4.7466619E+04 -2.7871041E-04 1.2861482E-04 -5.3596497E-05 1.2590519E-05 5 1.4609933E+04 -7.8317868E-04 3.6235295E-04 -1.5152898E-04 3.5775537E-05 6 5.1526078E+03 -2.0372687E-03 9.4625429E-04 -3.9477202E-04 9.2738858E-05 7 2.0306250E+03 -4.8235148E-03 2.2592836E-03 -9.4711984E-04 2.2373235E-04 8 8.7220072E+02 -1.0196856E-02 4.8553928E-03 -2.0349023E-03 4.7821523E-04 9 4.0027255E+02 -1.8501035E-02 9.0962514E-03 -3.8507452E-03 9.1147475E-04 10 1.9310673E+02 -2.6800075E-02 1.3811376E-02 -5.8737621E-03 1.3815576E-03 11 9.6590891E+01 -2.7707661E-02 1.5089412E-02 -6.5501956E-03 1.5617742E-03 12 4.9579132E+01 -1.6571475E-02 7.2264984E-03 -2.8322124E-03 6.4196490E-04 13 2.5594137E+01 -4.1670847E-03 -7.6422569E-03 4.5446917E-03 -1.0952454E-03 14 1.3182877E+01 -1.8886445E-04 -1.5086700E-02 9.6134148E-03 -2.4605810E-03 15 6.8825925E+00 4.0567225E-05 -8.0700985E-03 4.8855621E-03 -1.1294151E-03 16 3.4476110E+00 4.3318150E-05 -1.1256503E-03 -5.0639217E-03 1.5539006E-03 17 1.6923965E+00 2.0917507E-05 -1.9911134E-05 -6.3645878E-03 2.1623500E-03 18 7.9385513E-01 1.6131362E-05 -7.8027719E-06 -2.0014810E-03 5.4202493E-04 19 2.8502375E-01 9.1134928E-06 2.0376240E-07 -8.3236183E-05 -1.4264435E-03 20 1.1393593E-01 2.5696482E-06 -3.5341781E-07 3.7467030E-06 -1.5674168E-03 21 4.3676730E-02 3.3235600E-06 -1.6012940E-07 -5.4882679E-07 -4.5203593E-04 2p+ 3p+ 4p+ 5p+ 1 5.6198038E+06 -5.8904162E-07 2.7344013E-07 -1.1483287E-07 2.6808944E-08 2 8.5052658E+05 -4.6735309E-06 2.1658562E-06 -8.9631847E-07 2.0529114E-07 3 1.8127578E+05 -2.6766734E-05 1.2421541E-05 -5.1930435E-06 1.2052946E-06 4 4.7466619E+04 -1.2186484E-04 5.6534688E-05 -2.3473006E-05 5.3986752E-06 5 1.4609933E+04 -4.5443582E-04 2.1123487E-04 -8.8183194E-05 2.0420534E-05 6 5.1526078E+03 -1.4200958E-03 6.6199215E-04 -2.7536925E-04 6.3421903E-05 7 2.0306250E+03 -3.7882072E-03 1.7802092E-03 -7.4439946E-04 1.7232935E-04 8 8.7220072E+02 -8.6825293E-03 4.1447828E-03 -1.7322390E-03 3.9930611E-04 9 4.0027255E+02 -1.6739919E-02 8.2470695E-03 -3.4807497E-03 8.0700874E-04 10 1.9310673E+02 -2.5566424E-02 1.3195610E-02 -5.5965965E-03 1.2919547E-03 11 9.6590891E+01 -2.7941404E-02 1.5328803E-02 -6.6360254E-03 1.5475575E-03 12 4.9579132E+01 -1.7964798E-02 8.6282167E-03 -3.5088702E-03 7.9497537E-04 13 2.5594137E+01 -5.0906436E-03 -6.0264823E-03 3.6653187E-03 -8.7076599E-04 14 1.3182877E+01 -3.8838515E-04 -1.4749880E-02 9.2868474E-03 -2.3110596E-03 15 6.8825925E+00 -2.0944843E-05 -8.7425218E-03 5.6064227E-03 -1.3183177E-03 16 3.4476110E+00 5.2187642E-06 -1.3780343E-03 -4.3575022E-03 1.3220109E-03 17 1.6923965E+00 -7.5612988E-07 -2.7164100E-05 -6.4140011E-03 2.0825447E-03 18 7.9385513E-01 5.4538504E-07 -8.7129523E-06 -2.2705546E-03 7.2107156E-04 19 2.8502375E-01 -8.4376062E-08 1.0203650E-06 -1.1665317E-04 -1.2552863E-03 20 1.1393593E-01 2.4792773E-08 -2.7159933E-07 6.3825030E-06 -1.5686629E-03 21 4.3676730E-02 -4.6282224E-09 5.8778038E-08 -1.6123462E-06 -5.2451161E-04 3d- 4d- 1 6.2527412E+03 -3.0494414E-05 1.1334230E-05 2 1.6829840E+03 -1.7923039E-04 6.6926117E-05 3 6.1704394E+02 -7.1532089E-04 2.6715017E-04 4 2.6435776E+02 -2.1990380E-03 8.2734207E-04 5 1.2431471E+02 -5.2413653E-03 1.9840335E-03 6 6.1971429E+01 -9.7809669E-03 3.7673539E-03 7 3.2143143E+01 -1.3633278E-02 5.2319369E-03 8 1.6974442E+01 -1.3549653E-02 4.9994031E-03 9 9.0902548E+00 -8.5942917E-03 2.2656793E-03 10 4.8530529E+00 -2.7389123E-03 -2.5584861E-03 11 2.5309574E+00 -3.2979032E-04 -5.2215987E-03 12 1.2789815E+00 -1.0072206E-05 -4.3281805E-03 13 6.2539467E-01 3.0857099E-07 -1.9930660E-03 14 2.8842500E-01 3.3736711E-07 -4.1646473E-04 15 1.0993873E-01 1.5014561E-07 -1.7672298E-05 3d+ 4d+ 1 6.2527412E+03 -2.3589988E-05 8.7156270E-06 2 1.6829840E+03 -1.5502315E-04 5.7570298E-05 3 6.1704394E+02 -6.5372334E-04 2.4277220E-04 4 2.6435776E+02 -2.0746336E-03 7.7617365E-04 5 1.2431471E+02 -5.0500957E-03 1.9009621E-03 6 6.1971429E+01 -9.5570041E-03 3.6609563E-03 7 3.2143143E+01 -1.3470277E-02 5.1472406E-03 8 1.6974442E+01 -1.3554247E-02 4.9917290E-03 9 9.0902548E+00 -8.7400369E-03 2.3660623E-03 10 4.8530529E+00 -2.8463870E-03 -2.3940918E-03 11 2.5309574E+00 -3.5487152E-04 -5.1206899E-03 12 1.2789815E+00 -1.2558526E-05 -4.3410543E-03 13 6.2539467E-01 -4.9708502E-07 -2.0526238E-03 14 2.8842500E-01 6.5013122E-08 -4.4651743E-04 15 1.0993873E-01 7.2761182E-09 -2.0188478E-05 ** Sb 121 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.7533938E+07 2.2406419E-05 -7.7242277E-06 3.4271311E-06 -1.5101009E-06 4.8095618E-07 2 2.0028596E+07 5.7478094E-05 -1.9852381E-05 8.8106268E-06 -3.8821671E-06 1.2362187E-06 3 6.5134066E+06 1.2924249E-04 -4.4740300E-05 1.9862550E-05 -8.7534860E-06 2.7882719E-06 4 2.3164182E+06 2.7516694E-04 -9.5566165E-05 4.2446480E-05 -1.8705050E-05 5.9557921E-06 5 8.8393093E+05 5.8642414E-04 -2.0450532E-04 9.0886295E-05 -4.0064986E-05 1.2764544E-05 6 3.5436060E+05 1.2516101E-03 -4.3858550E-04 1.9504917E-04 -8.5968870E-05 2.7368847E-05 7 1.4849644E+05 2.6960422E-03 -9.5026099E-04 4.2295675E-04 -1.8652604E-04 5.9444601E-05 8 6.4657964E+04 5.8424659E-03 -2.0727646E-03 9.2343564E-04 -4.0711018E-04 1.2957737E-04 9 2.9151222E+04 1.2644549E-02 -4.5276839E-03 2.0198508E-03 -8.9129902E-04 2.8417219E-04 10 1.3564228E+04 2.6986607E-02 -9.7946645E-03 4.3781605E-03 -1.9312114E-03 6.1451770E-04 11 6.4961782E+03 5.5718525E-02 -2.0726844E-02 9.2988510E-03 -4.1088125E-03 1.3108894E-03 12 3.1938044E+03 1.0810519E-01 -4.2011496E-02 1.8972277E-02 -8.3846135E-03 2.6675677E-03 13 1.6079949E+03 1.8781243E-01 -7.9272128E-02 3.6255060E-02 -1.6088642E-02 5.1408150E-03 14 8.2718466E+02 2.6927255E-01 -1.3141916E-01 6.1512510E-02 -2.7374613E-02 8.7103191E-03 15 4.3354714E+02 2.7619225E-01 -1.6996868E-01 8.2787156E-02 -3.7266615E-02 1.1970092E-02 16 2.3008505E+02 1.6069938E-01 -1.0586351E-01 5.3710314E-02 -2.4215401E-02 7.6305808E-03 17 1.2049001E+02 3.4404712E-02 1.6679439E-01 -1.0852887E-01 5.1326644E-02 -1.6311238E-02 18 6.5588098E+01 3.0685746E-04 4.8249485E-01 -3.9741919E-01 2.0106185E-01 -6.6270067E-02 19 3.5855337E+01 7.3060918E-04 4.1181652E-01 -4.5458137E-01 2.4149057E-01 -7.8577529E-02 20 1.9363996E+01 -4.4511726E-04 1.1350742E-01 6.0201741E-02 -3.2973314E-02 7.9088875E-03 21 1.0801226E+01 2.2390944E-04 4.6670600E-03 6.9684455E-01 -6.1015308E-01 2.2952231E-01 22 6.0310872E+00 -1.6042374E-04 1.9061060E-03 4.8550669E-01 -6.3132786E-01 2.3546134E-01 23 3.2551480E+00 8.6872818E-05 -8.0205091E-04 8.1007045E-02 2.9282047E-01 -1.3732147E-01 24 1.7008498E+00 -3.8068791E-05 1.8411068E-04 3.3821269E-03 8.2162182E-01 -4.7437474E-01 25 8.7089572E-01 1.6179171E-05 -1.2275711E-04 9.8342210E-04 3.5645215E-01 -3.3745549E-01 26 3.2329036E-01 -5.5619428E-06 3.6675278E-05 -7.1539482E-05 1.6556623E-02 4.2809958E-01 27 1.5048811E-01 2.7412408E-06 -1.6987053E-05 1.4717270E-05 -2.2746013E-03 6.6562696E-01 28 6.6102095E-02 -7.2367079E-07 4.7938394E-06 -1.1310044E-05 5.7568068E-04 2.0571329E-01 2p- 3p- 4p- 5p- 1 6.2630960E+06 3.4253886E-05 -1.5825105E-05 6.7089053E-06 -1.7519789E-06 2 9.5460433E+05 1.0735259E-04 -4.9602519E-05 2.1027532E-05 -5.4904496E-06 3 2.0386969E+05 2.9407247E-04 -1.3592919E-04 5.7637896E-05 -1.5055070E-05 4 5.3313262E+04 7.5724935E-04 -3.5039129E-04 1.4854453E-04 -3.8770494E-05 5 1.6340329E+04 1.9748925E-03 -9.1610621E-04 3.8888490E-04 -1.0166913E-04 6 5.7296924E+03 5.4738488E-03 -2.5513252E-03 1.0824915E-03 -2.8227878E-04 7 2.2453369E+03 1.5887394E-02 -7.4705656E-03 3.1815807E-03 -8.3311630E-04 8 9.5983408E+02 4.5041534E-02 -2.1531241E-02 9.1751927E-03 -2.3918531E-03 9 4.3878385E+02 1.1427874E-01 -5.6341021E-02 2.4232921E-02 -6.3616433E-03 10 2.1107446E+02 2.3504455E-01 -1.2133549E-01 5.2455349E-02 -1.3684225E-02 11 1.0535601E+02 3.4760347E-01 -1.8950866E-01 8.3546615E-02 -2.2099144E-02 12 5.4026900E+01 3.0111722E-01 -1.3762581E-01 5.5968060E-02 -1.4143404E-02 13 2.7925263E+01 1.1428178E-01 1.6416987E-01 -1.0141231E-01 2.7149603E-02 14 1.4381806E+01 1.1616373E-02 5.0292129E-01 -3.2518876E-01 9.2705276E-02 15 7.5203601E+00 8.3761547E-04 3.9322419E-01 -2.4965329E-01 6.4852903E-02 16 3.7898819E+00 -2.9867764E-04 8.2915760E-02 3.1585672E-01 -1.0916476E-01 17 1.8751507E+00 5.6038055E-05 2.2134025E-03 6.0868253E-01 -2.3466185E-01 18 8.9297270E-01 -6.8098630E-05 1.0201088E-03 2.8574548E-01 -8.6534250E-02 19 3.3449900E-01 1.8719239E-05 -2.1011145E-04 2.1015862E-02 3.6333925E-01 20 1.3654450E-01 -8.5760731E-06 7.8835212E-05 -9.6248885E-04 5.6769592E-01 21 5.3022554E-02 2.8139136E-06 -2.9668517E-05 5.8809058E-04 2.3784907E-01 2p+ 3p+ 4p+ 5p+ 1 6.2630960E+06 1.8405978E-07 -8.5969454E-08 3.6514555E-08 -9.3797347E-09 2 9.5460433E+05 1.7820893E-06 -8.3277116E-07 3.5195213E-07 -8.9673831E-08 3 2.0386969E+05 1.3700985E-05 -6.4124616E-06 2.7237211E-06 -6.9930212E-07 4 5.3313262E+04 9.0993996E-05 -4.2628695E-05 1.8034656E-05 -4.5994602E-06 5 1.6340329E+04 5.1828596E-04 -2.4332151E-04 1.0336017E-04 -2.6517767E-05 6 5.7296924E+03 2.4950489E-03 -1.1750115E-03 4.9779041E-04 -1.2704873E-04 7 2.2453369E+03 1.0128280E-02 -4.8055787E-03 2.0451713E-03 -5.2470776E-04 8 9.5983408E+02 3.4686870E-02 -1.6705954E-02 7.1085819E-03 -1.8156039E-03 9 4.3878385E+02 9.8288254E-02 -4.8778393E-02 2.0947062E-02 -5.3828607E-03 10 2.1107446E+02 2.1803320E-01 -1.1322760E-01 4.8878778E-02 -1.2502224E-02 11 1.0535601E+02 3.4421951E-01 -1.8986875E-01 8.3591388E-02 -2.1612035E-02 12 5.4026900E+01 3.2085609E-01 -1.6049052E-01 6.7331529E-02 -1.6942604E-02 13 2.7925263E+01 1.3445617E-01 1.2374844E-01 -7.9089328E-02 2.0855245E-02 14 1.4381806E+01 1.5908053E-02 4.8872536E-01 -3.1237008E-01 8.6509294E-02 15 7.5203601E+00 9.5363075E-04 4.2543758E-01 -2.8384565E-01 7.4612878E-02 16 3.7898819E+00 -3.0860226E-04 1.0176854E-01 2.6540112E-01 -9.0816382E-02 17 1.8751507E+00 5.4615391E-05 3.3025588E-03 6.1172992E-01 -2.2507540E-01 18 8.9297270E-01 -7.4723560E-05 1.2939556E-03 3.2437731E-01 -1.1547806E-01 19 3.3449900E-01 2.0395023E-05 -2.7634485E-04 2.9121201E-02 3.1989809E-01 20 1.3654450E-01 -9.3907308E-06 1.0820943E-04 -1.9556128E-03 5.7165939E-01 21 5.3022554E-02 3.1119046E-06 -4.0047849E-05 9.8296367E-04 2.8289026E-01 3d- 4d- 1 7.0531565E+03 7.5214614E-05 -2.9044930E-05 2 1.8861674E+03 5.2945170E-04 -2.0512120E-04 3 6.8887216E+02 2.9832513E-03 -1.1568157E-03 4 2.9438837E+02 1.3271307E-02 -5.1818908E-03 5 1.3831046E+02 4.5569515E-02 -1.7903689E-02 6 6.8944317E+01 1.2124411E-01 -4.8450814E-02 7 3.5803763E+01 2.3958214E-01 -9.5714567E-02 8 1.8958002E+01 3.3695688E-01 -1.2984844E-01 9 1.0188957E+01 3.0547042E-01 -8.9855062E-02 10 5.4737076E+00 1.4270051E-01 1.0437194E-01 11 2.8814798E+00 2.6636402E-02 3.3536941E-01 12 1.4738503E+00 1.3940712E-03 4.0461014E-01 13 7.3198448E-01 7.0694428E-05 2.6480882E-01 14 3.4329747E-01 -2.4159211E-05 7.9013816E-02 15 1.3492964E-01 -2.9475415E-06 5.8074665E-03 3d+ 4d+ 1 7.0531565E+03 3.0942041E-05 -1.1893035E-05 2 1.8861674E+03 3.6662385E-04 -1.4152528E-04 3 6.8887216E+02 2.4940506E-03 -9.6309737E-04 4 2.9438837E+02 1.2051513E-02 -4.6862154E-03 5 1.3831046E+02 4.3138929E-02 -1.6877631E-02 6 6.8944317E+01 1.1739797E-01 -4.6720395E-02 7 3.5803763E+01 2.3545733E-01 -9.3793427E-02 8 1.8958002E+01 3.3591469E-01 -1.2937005E-01 9 1.0188957E+01 3.0977245E-01 -9.3180695E-02 10 5.4737076E+00 1.4777806E-01 9.6442450E-02 11 2.8814798E+00 2.8334391E-02 3.2842171E-01 12 1.4738503E+00 1.5151497E-03 4.0575035E-01 13 7.3198448E-01 8.4124602E-05 2.7270401E-01 14 3.4329747E-01 -2.5039708E-05 8.4442169E-02 15 1.3492964E-01 -2.6532802E-06 6.5387650E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.7533938E+07 -3.9923965E-05 1.3742465E-05 -6.0960314E-06 2.6863217E-06 -8.5584446E-07 2 2.0028596E+07 -1.4189151E-04 4.8836613E-05 -2.1663073E-05 9.5431557E-06 -3.0379115E-06 3 6.5134066E+06 -2.9888108E-04 1.0290341E-04 -4.5648581E-05 2.0117094E-05 -6.4100969E-06 4 2.3164182E+06 -6.0224458E-04 2.0736068E-04 -9.1986569E-05 4.0519672E-05 -1.2896118E-05 5 8.8393093E+05 -1.1332956E-03 3.9047873E-04 -1.7323779E-04 7.6352145E-05 -2.4333336E-05 6 3.5436060E+05 -2.0761141E-03 7.1574867E-04 -3.1757049E-04 1.3988392E-04 -4.4512803E-05 7 1.4849644E+05 -3.6683399E-03 1.2671134E-03 -5.6237100E-04 2.4789437E-04 -7.9019591E-05 8 6.4657964E+04 -6.3059365E-03 2.1843979E-03 -9.6988335E-04 4.2724338E-04 -1.3592924E-04 9 2.9151222E+04 -1.0496886E-02 3.6602381E-03 -1.6267850E-03 7.1736734E-04 -2.2873811E-04 10 1.3564228E+04 -1.6864457E-02 5.9500440E-03 -2.6491201E-03 1.1674960E-03 -3.7137521E-04 11 6.4961782E+03 -2.5817757E-02 9.3302116E-03 -4.1691583E-03 1.8407922E-03 -5.8728633E-04 12 3.1938044E+03 -3.6824206E-02 1.3906403E-02 -6.2556237E-03 2.7622895E-03 -8.7859748E-04 13 1.6079949E+03 -4.6838386E-02 1.9230756E-02 -8.7630508E-03 3.8859542E-03 -1.2416050E-03 14 8.2718466E+02 -4.9151918E-02 2.3371690E-02 -1.0903811E-02 4.8491566E-03 -1.5426799E-03 15 4.3354714E+02 -3.6955101E-02 2.2215881E-02 -1.0793986E-02 4.8566008E-03 -1.5598388E-03 16 2.3008505E+02 -1.5773491E-02 1.0251585E-02 -5.2053489E-03 2.3473930E-03 -7.3989018E-04 17 1.2049001E+02 -2.4521099E-03 -1.1447395E-02 7.4084072E-03 -3.4995260E-03 1.1116125E-03 18 6.5588098E+01 -1.5754538E-05 -2.4708149E-02 2.0274642E-02 -1.0250830E-02 3.3783705E-03 19 3.5855337E+01 -2.8346168E-05 -1.5631510E-02 1.7207078E-02 -9.1384565E-03 2.9734044E-03 20 1.9363996E+01 1.2691253E-05 -3.1695810E-03 -1.6543883E-03 9.0149009E-04 -2.1452326E-04 21 1.0801226E+01 -4.7793550E-06 -9.6847947E-05 -1.4474853E-02 1.2664138E-02 -4.7632945E-03 22 6.0310872E+00 2.5441624E-06 -2.9932904E-05 -7.5408017E-03 9.8002999E-03 -3.6551693E-03 23 3.2551480E+00 -1.0097940E-06 9.3171610E-06 -9.2439248E-04 -3.3374214E-03 1.5648570E-03 24 1.7008498E+00 3.1857762E-07 -1.5929957E-06 -2.7899764E-05 -6.7722586E-03 3.9095595E-03 25 8.7089572E-01 -9.6195793E-08 7.5363188E-07 -5.7992284E-06 -2.1025371E-03 1.9902751E-03 26 3.2329036E-01 1.9838486E-08 -1.4206269E-07 2.5622119E-07 -5.9498796E-05 -1.5382634E-03 27 1.5048811E-01 -6.5259787E-09 4.6950295E-08 -3.5580601E-08 5.5759209E-06 -1.6318593E-03 28 6.6102095E-02 1.0950089E-09 -9.3046771E-09 1.8232145E-08 -9.3510806E-07 -3.3424867E-04 2p- 3p- 4p- 5p- 1 6.2630960E+06 -8.1604296E-06 3.7726012E-06 -1.6005868E-06 4.1849937E-07 2 9.5460433E+05 -2.9946523E-05 1.3855147E-05 -5.8695214E-06 1.5299151E-06 3 2.0386969E+05 -9.2952497E-05 4.3064940E-05 -1.8288735E-05 4.7872736E-06 4 5.3313262E+04 -2.7421151E-04 1.2725219E-04 -5.3920834E-05 1.4046487E-05 5 1.6340329E+04 -7.6607363E-04 3.5639244E-04 -1.5149813E-04 3.9673992E-05 6 5.7296924E+03 -1.9899023E-03 9.2937161E-04 -3.9425191E-04 1.0270410E-04 7 2.2453369E+03 -4.7205349E-03 2.2223130E-03 -9.4695832E-04 2.4812771E-04 8 9.5983408E+02 -1.0030143E-02 4.7977215E-03 -2.0443468E-03 5.3276499E-04 9 4.3878385E+02 -1.8374053E-02 9.0641864E-03 -3.8993860E-03 1.0238718E-03 10 2.1107446E+02 -2.7034462E-02 1.3970256E-02 -6.0402677E-03 1.5756134E-03 11 1.0535601E+02 -2.8639646E-02 1.5645574E-02 -6.9002636E-03 1.8254569E-03 12 5.4026900E+01 -1.7814811E-02 8.1825983E-03 -3.3319130E-03 8.4206720E-04 13 2.7925263E+01 -4.7682258E-03 -7.0856587E-03 4.3667915E-03 -1.1687328E-03 14 1.4381806E+01 -2.5539237E-04 -1.5567239E-02 1.0057593E-02 -2.8669258E-03 15 7.5203601E+00 4.5946073E-05 -8.8068178E-03 5.5910773E-03 -1.4526678E-03 16 3.7898819E+00 4.6864164E-05 -1.3203624E-03 -5.0107550E-03 1.7319506E-03 17 1.8751507E+00 2.3375318E-05 -2.6197927E-05 -6.7976518E-03 2.6208417E-03 18 8.9297270E-01 1.7471855E-05 -8.8723262E-06 -2.2010882E-03 6.6676073E-04 19 3.3449900E-01 1.0280248E-05 3.6855488E-07 -9.7869811E-05 -1.7146619E-03 20 1.3654450E-01 2.9588180E-06 -4.1132435E-07 3.2748817E-06 -1.7115509E-03 21 5.3022554E-02 3.9621818E-06 -1.8191395E-07 -6.0420966E-07 -4.4692274E-04 2p+ 3p+ 4p+ 5p+ 1 6.2630960E+06 -5.5520183E-07 2.5923472E-07 -1.1069412E-07 2.8678633E-08 2 9.5460433E+05 -4.3749006E-06 2.0403887E-06 -8.5933468E-07 2.1783620E-07 3 2.0386969E+05 -2.5025858E-05 1.1683246E-05 -4.9676087E-06 1.2784071E-06 4 5.3313262E+04 -1.1431688E-04 5.3363387E-05 -2.2544344E-05 5.7422763E-06 5 1.6340329E+04 -4.2952378E-04 2.0084425E-04 -8.5279950E-05 2.1888674E-05 6 5.7296924E+03 -1.3544489E-03 6.3514590E-04 -2.6881058E-04 6.8579129E-05 7 2.2453369E+03 -3.6473875E-03 1.7233617E-03 -7.3291391E-04 1.8804082E-04 8 9.5983408E+02 -8.4451102E-03 4.0510830E-03 -1.7223844E-03 4.3982684E-04 9 4.3878385E+02 -1.6495896E-02 8.1566751E-03 -3.5004422E-03 8.9947026E-04 10 2.1107446E+02 -2.5653546E-02 1.3279801E-02 -5.7292880E-03 1.4652723E-03 11 1.0535601E+02 -2.8783516E-02 1.5835080E-02 -6.9685025E-03 1.8015655E-03 12 5.4026900E+01 -1.9275599E-02 9.6289975E-03 -4.0404851E-03 1.0167856E-03 13 2.7925263E+01 -5.8144761E-03 -5.3146304E-03 3.3956807E-03 -8.9529188E-04 14 1.4381806E+01 -4.9410290E-04 -1.5116399E-02 9.6565965E-03 -2.6741605E-03 15 7.5203601E+00 -2.1247038E-05 -9.5234736E-03 6.3518963E-03 -1.6697427E-03 16 3.7898819E+00 4.8408831E-06 -1.6173490E-03 -4.2139395E-03 1.4418341E-03 17 1.8751507E+00 -5.7538194E-07 -3.6976359E-05 -6.8345253E-03 2.5144497E-03 18 8.9297270E-01 5.6131028E-07 -9.9542066E-06 -2.5010867E-03 8.9034318E-04 19 3.3449900E-01 -9.0417003E-08 1.2947819E-06 -1.3742525E-04 -1.5094603E-03 20 1.3654450E-01 2.5525213E-08 -3.2174218E-07 5.8963480E-06 -1.7234379E-03 21 5.3022554E-02 -4.9413370E-09 7.3769083E-08 -1.8467162E-06 -5.3145956E-04 3d- 4d- 1 7.0531565E+03 -2.8277382E-05 1.0914252E-05 2 1.8861674E+03 -1.6704590E-04 6.4745457E-05 3 6.8887216E+02 -6.7105990E-04 2.6020032E-04 4 2.9438837E+02 -2.0859449E-03 8.1451889E-04 5 1.3831046E+02 -5.0499896E-03 1.9840774E-03 6 6.8944317E+01 -9.6068471E-03 3.8392463E-03 7 3.5803763E+01 -1.3759507E-02 5.4981268E-03 8 1.8958002E+01 -1.4121281E-02 5.4432899E-03 9 1.0188957E+01 -9.3954435E-03 2.7655534E-03 10 5.4737076E+00 -3.2152079E-03 -2.3553435E-03 11 2.8814798E+00 -4.3240131E-04 -5.4939724E-03 12 1.4738503E+00 -1.4461906E-05 -4.7411361E-03 13 7.3198448E-01 2.8430555E-07 -2.1868273E-03 14 3.4329747E-01 4.7620505E-07 -4.4679266E-04 15 1.3492964E-01 1.9388100E-07 -2.0524196E-05 3d+ 4d+ 1 7.0531565E+03 -2.1465676E-05 8.2432478E-06 2 1.8861674E+03 -1.4292171E-04 5.5139263E-05 3 6.8887216E+02 -6.0915914E-04 2.3507726E-04 4 2.9438837E+02 -1.9590387E-03 7.6134792E-04 5 1.3831046E+02 -4.8510589E-03 1.8969542E-03 6 6.8944317E+01 -9.3682380E-03 3.7265742E-03 7 3.5803763E+01 -1.3576023E-02 5.4059752E-03 8 1.8958002E+01 -1.4110339E-02 5.4327474E-03 9 1.0188957E+01 -9.5462111E-03 2.8715965E-03 10 5.4737076E+00 -3.3388651E-03 -2.1766699E-03 11 2.8814798E+00 -4.6454021E-04 -5.3810681E-03 12 1.4738503E+00 -1.7753500E-05 -4.7551295E-03 13 7.3198448E-01 -7.0013291E-07 -2.2523565E-03 14 3.4329747E-01 1.4367682E-07 -4.7763141E-04 15 1.3492964E-01 8.8789921E-09 -2.3187255E-05 ** Te 130 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.4767224E+07 2.4852036E-05 -8.6010614E-06 3.8327170E-06 -1.7093049E-06 5.6970495E-07 2 1.9406660E+07 6.3357921E-05 -2.1971076E-05 9.7933244E-06 -4.3675710E-06 1.4554242E-06 3 6.3554441E+06 1.4123065E-04 -4.9089767E-05 2.1888510E-05 -9.7633765E-06 3.2545026E-06 4 2.2781786E+06 2.9774020E-04 -1.0383854E-04 4.6322646E-05 -2.0661385E-05 6.8844731E-06 5 8.7653184E+05 6.2846386E-04 -2.2010586E-04 9.8249284E-05 -4.3836345E-05 1.4615259E-05 6 3.5405621E+05 1.3285931E-03 -4.6762824E-04 2.0888482E-04 -9.3188507E-05 3.1046258E-05 7 1.4933752E+05 2.8366027E-03 -1.0044177E-03 4.4904981E-04 -2.0043678E-04 6.6847470E-05 8 6.5377342E+04 6.0938677E-03 -2.1724193E-03 9.7217849E-04 -4.3383419E-04 1.4450213E-04 9 2.9615454E+04 1.3076177E-02 -4.7060820E-03 2.1089403E-03 -9.4191176E-04 3.1427325E-04 10 1.3838547E+04 2.7682513E-02 -1.0101323E-02 4.5359631E-03 -2.0253512E-03 6.7443488E-04 11 6.6522448E+03 5.6730745E-02 -2.1223639E-02 9.5660104E-03 -4.2782624E-03 1.4284513E-03 12 3.2810691E+03 1.0931652E-01 -4.2738640E-02 1.9392539E-02 -8.6761706E-03 2.8886978E-03 13 1.6564941E+03 1.8870043E-01 -8.0150873E-02 3.6835830E-02 -1.6546101E-02 5.5332482E-03 14 8.5416447E+02 2.6886527E-01 -1.3203536E-01 6.2114120E-02 -2.7989517E-02 9.3205955E-03 15 4.4863850E+02 2.7411436E-01 -1.6938187E-01 8.2916236E-02 -3.7783236E-02 1.2703690E-02 16 2.3859571E+02 1.5865640E-01 -1.0326281E-01 5.2543434E-02 -2.3994340E-02 7.9083692E-03 17 1.2528468E+02 3.3899339E-02 1.6988891E-01 -1.1153993E-01 5.3549839E-02 -1.7827191E-02 18 6.8330445E+01 3.3420962E-04 4.8192853E-01 -4.0028043E-01 2.0532955E-01 -7.0913857E-02 19 3.7432590E+01 7.0570942E-04 4.0952969E-01 -4.5437450E-01 2.4522439E-01 -8.3632169E-02 20 2.0266012E+01 -4.3574427E-04 1.1296366E-01 6.2661086E-02 -3.5340148E-02 8.9799548E-03 21 1.1367871E+01 2.2089448E-04 4.5729757E-03 6.9713990E-01 -6.2419801E-01 2.4748734E-01 22 6.3732170E+00 -1.6004976E-04 1.9413458E-03 4.8451640E-01 -6.3693367E-01 2.4906907E-01 23 3.4636180E+00 8.8676820E-05 -8.4441237E-04 8.2452386E-02 2.9407083E-01 -1.4302825E-01 24 1.8270090E+00 -3.9898427E-05 2.0324612E-04 3.6193715E-03 8.2930668E-01 -5.1514122E-01 25 9.4966757E-01 1.7558070E-05 -1.3457610E-04 9.5736735E-04 3.5531800E-01 -3.5660175E-01 26 3.7342108E-01 -6.1714157E-06 4.2605073E-05 -9.1915874E-05 1.7479083E-02 4.5197852E-01 27 1.7443221E-01 2.8362212E-06 -1.7795620E-05 5.2774451E-06 -1.7518292E-03 6.7705161E-01 28 7.6985230E-02 -7.3447622E-07 5.0637278E-06 -1.2215936E-05 5.1936581E-04 1.9925891E-01 2p- 3p- 4p- 5p- 1 6.8508315E+06 3.4653614E-05 -1.6095486E-05 6.9307841E-06 -1.9542790E-06 2 1.0542503E+06 1.0835374E-04 -5.0333129E-05 2.1672822E-05 -6.1103129E-06 3 2.2596894E+05 2.9534213E-04 -1.3724403E-04 5.9109077E-05 -1.6670613E-05 4 5.9104234E+04 7.5508070E-04 -3.5124263E-04 1.5125149E-04 -4.2626779E-05 5 1.8064460E+04 1.9469195E-03 -9.0783055E-04 3.9139493E-04 -1.1048280E-04 6 6.3050550E+03 5.3199225E-03 -2.4923917E-03 1.0742082E-03 -3.0247634E-04 7 2.4589405E+03 1.5274296E-02 -7.2174098E-03 3.1215662E-03 -8.8259434E-04 8 1.0467583E+03 4.3146635E-02 -2.0718452E-02 8.9682393E-03 -2.5244869E-03 9 4.7688835E+02 1.0990625E-01 -5.4379018E-02 2.3748616E-02 -6.7322606E-03 10 2.2881751E+02 2.2857443E-01 -1.1835564E-01 5.1974221E-02 -1.4642490E-02 11 1.1399937E+02 3.4455047E-01 -1.8842392E-01 8.4329562E-02 -2.4089177E-02 12 5.8404214E+01 3.0787546E-01 -1.4583655E-01 6.1084215E-02 -1.6738152E-02 13 3.0211473E+01 1.2253581E-01 1.4765350E-01 -9.4544487E-02 2.7402163E-02 14 1.5558086E+01 1.3496259E-02 4.9738494E-01 -3.2643279E-01 1.0082686E-01 15 8.1478284E+00 8.1402035E-04 4.0580991E-01 -2.6701148E-01 7.5702625E-02 16 4.1273666E+00 -2.7646152E-04 9.0258025E-02 3.0228047E-01 -1.1459937E-01 17 2.0561403E+00 4.5070174E-05 2.6556342E-03 6.1625110E-01 -2.6184540E-01 18 9.9257545E-01 -6.7729721E-05 1.0776715E-03 2.9171481E-01 -9.5445982E-02 19 3.8630411E-01 1.9201517E-05 -2.4009056E-04 2.2326713E-02 3.9058424E-01 20 1.5985087E-01 -8.2537112E-06 8.1229762E-05 -5.8132202E-04 5.6603503E-01 21 6.2603560E-02 2.8101059E-06 -3.2763558E-05 6.0067992E-04 2.1954005E-01 2p+ 3p+ 4p+ 5p+ 1 6.8508315E+06 1.7896713E-07 -8.4077593E-08 3.6286867E-08 -1.0058968E-08 2 1.0542503E+06 1.6952556E-06 -7.9697447E-07 3.4240415E-07 -9.4103732E-08 3 2.2596894E+05 1.2819700E-05 -6.0351683E-06 2.6048603E-06 -7.2167141E-07 4 5.9104234E+04 8.4245398E-05 -3.9706537E-05 1.7076178E-05 -4.6978296E-06 5 1.8064460E+04 4.7875607E-04 -2.2609185E-04 9.7597794E-05 -2.7018427E-05 6 6.3050550E+03 2.3128413E-03 -1.0956833E-03 4.7184484E-04 -1.2991310E-04 7 2.4589405E+03 9.4500241E-03 -4.5086679E-03 1.9498449E-03 -5.3977677E-04 8 1.0467583E+03 3.2634205E-02 -1.5797681E-02 6.8324053E-03 -1.8825997E-03 9 4.7688835E+02 9.3501527E-02 -4.6593061E-02 2.0328430E-02 -5.6368185E-03 10 2.2881751E+02 2.1062330E-01 -1.0976260E-01 4.8157810E-02 -1.3290066E-02 11 1.1399937E+02 3.3990302E-01 -1.8807869E-01 8.4108489E-02 -2.3468255E-02 12 5.8404214E+01 3.2754506E-01 -1.6851441E-01 7.2538684E-02 -1.9735945E-02 13 3.0211473E+01 1.4426951E-01 1.0539392E-01 -7.0975090E-02 2.0248424E-02 14 1.5558086E+01 1.8561664E-02 4.8039748E-01 -3.1186654E-01 9.3526424E-02 15 8.1478284E+00 9.2227068E-04 4.3866026E-01 -3.0184363E-01 8.6252613E-02 16 4.1273666E+00 -2.6611803E-04 1.1098742E-01 2.4831517E-01 -9.3300291E-02 17 2.0561403E+00 3.2886386E-05 4.0285067E-03 6.1842420E-01 -2.5051899E-01 18 9.9257545E-01 -7.0588443E-05 1.3621616E-03 3.3211438E-01 -1.2851536E-01 19 3.8630411E-01 1.9462674E-05 -3.1174374E-04 3.1016274E-02 3.4376967E-01 20 1.5985087E-01 -8.3898101E-06 1.1115620E-04 -1.4384837E-03 5.7265595E-01 21 6.2603560E-02 2.9401428E-06 -4.4002213E-05 9.9835824E-04 2.6685516E-01 3d- 4d- 1 7.7284169E+03 7.2539081E-05 -2.8953853E-05 2 2.0559577E+03 5.0292587E-04 -2.0138174E-04 3 7.4846426E+02 2.8183225E-03 -1.1295969E-03 4 3.1917637E+02 1.2571390E-02 -5.0734285E-03 5 1.4980706E+02 4.3495612E-02 -1.7663244E-02 6 7.4654899E+01 1.1690106E-01 -4.8285130E-02 7 3.8789575E+01 2.3430418E-01 -9.6915962E-02 8 2.0569319E+01 3.3482178E-01 -1.3383687E-01 9 1.1079021E+01 3.0987425E-01 -9.6519829E-02 10 5.9722776E+00 1.4895632E-01 9.9812530E-02 11 3.1602785E+00 2.8971665E-02 3.3873713E-01 12 1.6294969E+00 1.5351503E-03 4.1041465E-01 13 8.1785307E-01 6.9477394E-05 2.5923751E-01 14 3.8849309E-01 -3.4006755E-05 7.2397165E-02 15 1.5854467E-01 -3.8033724E-06 5.4954669E-03 3d+ 4d+ 1 7.7284169E+03 2.8461926E-05 -1.1316385E-05 2 2.0559577E+03 3.3973755E-04 -1.3565116E-04 3 7.4846426E+02 2.3273373E-03 -9.2961767E-04 4 3.1917637E+02 1.1340075E-02 -4.5610093E-03 5 1.4980706E+02 4.1021200E-02 -1.6600716E-02 6 7.4654899E+01 1.1294708E-01 -4.6493130E-02 7 3.8789575E+01 2.2997009E-01 -9.4916410E-02 8 2.0569319E+01 3.3354766E-01 -1.3335002E-01 9 1.1079021E+01 3.1418149E-01 -1.0002325E-01 10 5.9722776E+00 1.5431171E-01 9.1528142E-02 11 3.1602785E+00 3.0851621E-02 3.3162722E-01 12 1.6294969E+00 1.6781484E-03 4.1197691E-01 13 8.1785307E-01 8.4582936E-05 2.6737138E-01 14 3.8849309E-01 -3.4753850E-05 7.7333191E-02 15 1.5854467E-01 -3.5700633E-06 6.1512837E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.4767224E+07 -4.3393591E-05 1.4994726E-05 -6.6802890E-06 2.9794330E-06 -9.9333517E-07 2 1.9406660E+07 -1.5372338E-04 5.3114576E-05 -2.3662703E-05 1.0550774E-05 -3.5147875E-06 3 6.3554441E+06 -3.2101216E-04 1.1095346E-04 -4.9432573E-05 2.2048379E-05 -7.3519770E-06 4 2.2781786E+06 -6.4213513E-04 2.2196018E-04 -9.8889744E-05 4.4090466E-05 -1.4684729E-05 5 8.7653184E+05 -1.1991419E-03 4.1479070E-04 -1.8482107E-04 8.2442920E-05 -2.7495761E-05 6 3.5405621E+05 -2.1837480E-03 7.5584213E-04 -3.3681645E-04 1.5016789E-04 -5.0005754E-05 7 1.4933752E+05 -3.8387576E-03 1.3313082E-03 -5.9343013E-04 2.6474921E-04 -8.8315460E-05 8 6.5377342E+04 -6.5691417E-03 2.2849111E-03 -1.0189456E-03 4.5432895E-04 -1.5126334E-04 9 2.9615454E+04 -1.0884960E-02 3.8116122E-03 -1.7014941E-03 7.5938743E-04 -2.5339461E-04 10 1.3838547E+04 -1.7411784E-02 6.1702648E-03 -2.7593604E-03 1.2309501E-03 -4.0975561E-04 11 6.6522448E+03 -2.6543613E-02 9.6372385E-03 -4.3256823E-03 1.9330363E-03 -6.4540179E-04 12 3.2810691E+03 -3.7703630E-02 1.4309209E-02 -6.4664310E-03 2.8905241E-03 -9.6212516E-04 13 1.6564941E+03 -4.7755615E-02 1.9710471E-02 -9.0240882E-03 4.0504378E-03 -1.3544282E-03 14 8.5416447E+02 -4.9892597E-02 2.3846961E-02 -1.1180421E-02 5.0344522E-03 -1.6761711E-03 15 4.4863850E+02 -3.7340254E-02 2.2519371E-02 -1.0995488E-02 5.0079259E-03 -1.6836653E-03 16 2.3859571E+02 -1.5875084E-02 1.0192302E-02 -5.1914865E-03 2.3713907E-03 -7.8183390E-04 17 1.2528468E+02 -2.4665891E-03 -1.1887124E-02 7.7609136E-03 -3.7214434E-03 1.2383052E-03 18 6.8330445E+01 -1.7583624E-05 -2.5191150E-02 2.0840727E-02 -1.0683421E-02 3.6893272E-03 19 3.7432590E+01 -2.7990751E-05 -1.5885230E-02 1.7573996E-02 -9.4817749E-03 3.2335515E-03 20 2.0266012E+01 1.2711198E-05 -3.2277015E-03 -1.7611689E-03 9.8822273E-04 -2.4914069E-04 21 1.1367871E+01 -4.8341283E-06 -9.7326719E-05 -1.4856192E-02 1.3290735E-02 -5.2689170E-03 22 6.3732170E+00 2.6059263E-06 -3.1365148E-05 -7.7362488E-03 1.0164066E-02 -3.9746380E-03 23 3.4636180E+00 -1.0609201E-06 1.0129006E-05 -9.7060270E-04 -3.4571928E-03 1.6811633E-03 24 1.8270090E+00 3.4468203E-07 -1.8255446E-06 -3.0941690E-05 -7.0846154E-03 4.4001387E-03 25 9.4966757E-01 -1.0839308E-07 8.6518382E-07 -5.8967180E-06 -2.1886191E-03 2.1962749E-03 26 3.7342108E-01 2.3436049E-08 -1.7740104E-07 3.5465185E-07 -6.7507959E-05 -1.7454477E-03 27 1.7443221E-01 -7.1494492E-09 5.3233279E-08 -1.3686201E-08 4.6225439E-06 -1.7870492E-03 28 7.6985230E-02 1.1648310E-09 -1.0625673E-08 2.1355812E-08 -9.1022082E-07 -3.4939958E-04 2p- 3p- 4p- 5p- 1 6.8508315E+06 -8.3735484E-06 3.8917128E-06 -1.6769523E-06 4.7343295E-07 2 1.0542503E+06 -3.0472055E-05 1.4174112E-05 -6.0997403E-06 1.7167780E-06 3 2.2596894E+05 -9.3486854E-05 4.3541741E-05 -1.8779483E-05 5.3077605E-06 4 5.9104234E+04 -2.7285012E-04 1.2730655E-04 -5.4800296E-05 1.5414335E-05 5 1.8064460E+04 -7.5729066E-04 3.5418011E-04 -1.5290656E-04 4.3237741E-05 6 6.3050550E+03 -1.9622760E-03 9.2138641E-04 -3.9707341E-04 1.1168975E-04 7 2.4589405E+03 -4.6585427E-03 2.2041154E-03 -9.5382339E-04 2.6987343E-04 8 1.0467583E+03 -9.9339700E-03 4.7735374E-03 -2.0662037E-03 5.8142077E-04 9 4.7688835E+02 -1.8331579E-02 9.0757978E-03 -3.9644186E-03 1.1240753E-03 10 2.2881751E+02 -2.7307152E-02 1.4154618E-02 -6.2165766E-03 1.7512114E-03 11 1.1399937E+02 -2.9495483E-02 1.6163171E-02 -7.2367862E-03 2.0675262E-03 12 5.8404214E+01 -1.8929824E-02 9.0117252E-03 -3.7794565E-03 1.0357434E-03 13 3.0211473E+01 -5.3222230E-03 -6.6302180E-03 4.2338031E-03 -1.2266878E-03 14 1.5558086E+01 -3.2064612E-04 -1.6012916E-02 1.0499991E-02 -3.2427923E-03 15 8.1478284E+00 5.1694084E-05 -9.4604410E-03 6.2240349E-03 -1.7649208E-03 16 4.1273666E+00 5.0369015E-05 -1.4997956E-03 -5.0035923E-03 1.8971435E-03 17 2.0561403E+00 2.5944414E-05 -3.2653756E-05 -7.2064697E-03 3.0622605E-03 18 9.9257545E-01 1.8748116E-05 -9.8160395E-06 -2.3690528E-03 7.7536396E-04 19 3.8630411E-01 1.1506858E-05 5.3698761E-07 -1.1172997E-04 -1.9808389E-03 20 1.5985087E-01 3.3901930E-06 -4.5940575E-07 2.3347970E-06 -1.8464622E-03 21 6.2603560E-02 4.6234322E-06 -2.0375451E-07 -6.2733207E-07 -4.4826405E-04 2p+ 3p+ 4p+ 5p+ 1 6.8508315E+06 -5.3386272E-07 2.5067100E-07 -1.0873201E-07 3.0423379E-08 2 1.0542503E+06 -4.1680700E-06 1.9559088E-06 -8.3751972E-07 2.2889058E-07 3 2.2596894E+05 -2.3766794E-05 1.1159596E-05 -4.8212779E-06 1.3392264E-06 4 5.9104234E+04 -1.0870170E-04 5.1047765E-05 -2.1922594E-05 6.0225489E-06 5 1.8064460E+04 -4.1074219E-04 1.9317025E-04 -8.3347129E-05 2.3084694E-05 6 6.3050550E+03 -1.3049233E-03 6.1546492E-04 -2.6477017E-04 7.2865794E-05 7 2.4589405E+03 -3.5423039E-03 1.6826864E-03 -7.2715234E-04 2.0130412E-04 8 1.0467583E+03 -8.2723506E-03 3.9877462E-03 -1.7231977E-03 4.7470389E-04 9 4.7688835E+02 -1.6333491E-02 8.1079410E-03 -3.5349769E-03 9.8013849E-04 10 2.2881751E+02 -2.5782341E-02 1.3390902E-02 -5.8714540E-03 1.6201331E-03 11 1.1399937E+02 -2.9556210E-02 1.6308881E-02 -7.2898603E-03 2.0339175E-03 12 5.8404214E+01 -2.0458216E-02 1.0509403E-02 -4.5243868E-03 1.2310478E-03 13 3.0211473E+01 -6.4899168E-03 -4.7035260E-03 3.1670989E-03 -9.0339520E-04 14 1.5558086E+01 -5.9969610E-04 -1.5453302E-02 1.0026413E-02 -3.0066137E-03 15 8.1478284E+00 -2.1389583E-05 -1.0221034E-02 7.0306260E-03 -2.0090724E-03 16 4.1273666E+00 4.3474853E-06 -1.8407977E-03 -4.1141429E-03 1.5456864E-03 17 2.0561403E+00 -3.4785139E-07 -4.7224140E-05 -7.2350700E-03 2.9306175E-03 18 9.9257545E-01 5.5773937E-07 -1.1047035E-05 -2.6998129E-03 1.0446707E-03 19 3.8630411E-01 -9.2265748E-08 1.5700108E-06 -1.5729609E-04 -1.7431881E-03 20 1.5985087E-01 2.4362135E-08 -3.5740862E-07 4.6926949E-06 -1.8679826E-03 21 6.2603560E-02 -5.0417731E-09 8.8154860E-08 -2.0380058E-06 -5.4475021E-04 3d- 4d- 1 7.7284169E+03 -2.7395142E-05 1.0929700E-05 2 2.0559577E+03 -1.6232110E-04 6.5027094E-05 3 7.4846426E+02 -6.5477060E-04 2.6241983E-04 4 3.1917637E+02 -2.0486759E-03 8.2683084E-04 5 1.4980706E+02 -5.0063740E-03 2.0330557E-03 6 7.4654899E+01 -9.6293040E-03 3.9775319E-03 7 3.8789575E+01 -1.3999432E-02 5.7918497E-03 8 2.0569319E+01 -1.4612402E-02 5.8427290E-03 9 1.1079021E+01 -9.9372735E-03 3.0974261E-03 10 5.9722776E+00 -3.5054522E-03 -2.3525414E-03 11 3.1602785E+00 -4.9259333E-04 -5.8112145E-03 12 1.6294969E+00 -1.6797468E-05 -5.0566530E-03 13 8.1785307E-01 4.0190398E-07 -2.2628663E-03 14 3.8849309E-01 5.8659515E-07 -4.3546953E-04 15 1.5854467E-01 2.3989389E-07 -2.1035353E-05 3d+ 4d+ 1 7.7284169E+03 -2.0459440E-05 8.1268933E-06 2 2.0559577E+03 -1.3757248E-04 5.4896145E-05 3 7.4846426E+02 -5.9091432E-04 2.3586514E-04 4 3.1917637E+02 -1.9166156E-03 7.7040693E-04 5 1.4980706E+02 -4.7970032E-03 1.9402130E-03 6 7.4654899E+01 -9.3750038E-03 3.8572284E-03 7 3.8789575E+01 -1.3798869E-02 5.6930002E-03 8 2.0569319E+01 -1.4593057E-02 5.8324149E-03 9 1.1079021E+01 -1.0095984E-02 3.2141727E-03 10 5.9722776E+00 -3.6418922E-03 -2.1575204E-03 11 3.1602785E+00 -5.2972888E-04 -5.6902855E-03 12 1.6294969E+00 -2.0679078E-05 -5.0766410E-03 13 8.1785307E-01 -7.4354093E-07 -2.3342670E-03 14 3.8849309E-01 2.1113096E-07 -4.6532725E-04 15 1.5854467E-01 1.3197504E-08 -2.3645364E-05 ** I 127 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.6175652E+07 2.6479410E-05 -9.2000213E-06 4.1166812E-06 -1.8571055E-06 6.4238346E-07 2 1.9849983E+07 6.7051872E-05 -2.3343451E-05 1.0448401E-05 -4.7134488E-06 1.6301215E-06 3 6.5395721E+06 1.4811692E-04 -5.1686453E-05 2.3142494E-05 -1.0441725E-05 3.6123282E-06 4 2.3596246E+06 3.0912234E-04 -1.0823883E-04 4.8487443E-05 -2.1876400E-05 7.5651294E-06 5 9.1352219E+05 6.4666456E-04 -2.2739504E-04 1.0192856E-04 -4.6002583E-05 1.5917977E-05 6 3.7073402E+05 1.3554133E-03 -4.7905141E-04 2.1488797E-04 -9.6973329E-05 3.3529645E-05 7 1.5693523E+05 2.8690627E-03 -1.0202542E-03 4.5806208E-04 -2.0682045E-04 7.1587512E-05 8 6.8905393E+04 6.1121074E-03 -2.1886132E-03 9.8359485E-04 -4.4400241E-04 1.5348491E-04 9 3.1288540E+04 1.3019347E-02 -4.7067841E-03 2.1182907E-03 -9.5702691E-04 3.3140813E-04 10 1.4648899E+04 2.7390767E-02 -1.0039827E-02 4.5276368E-03 -2.0450263E-03 7.0675164E-04 11 7.0539515E+03 5.5860327E-02 -2.0983373E-02 9.4979512E-03 -4.2969699E-03 1.4890561E-03 12 3.4846093E+03 1.0735278E-01 -4.2103971E-02 1.9183536E-02 -8.6819111E-03 2.9999608E-03 13 1.7615182E+03 1.8545545E-01 -7.8854536E-02 3.6381672E-02 -1.6530686E-02 5.7377248E-03 14 9.0920153E+02 2.6584767E-01 -1.3021213E-01 6.1464068E-02 -2.8014853E-02 9.6820588E-03 15 4.7786933E+02 2.7505335E-01 -1.6864892E-01 8.2779057E-02 -3.8150968E-02 1.3314394E-02 16 2.5427862E+02 1.6368064E-01 -1.0788593E-01 5.5067296E-02 -2.5442112E-02 8.7092451E-03 17 1.3385760E+02 3.6799603E-02 1.5642009E-01 -1.0307908E-01 5.0047466E-02 -1.7270958E-02 18 7.3157057E+01 5.3217254E-04 4.7286843E-01 -3.9035640E-01 2.0241356E-01 -7.2626119E-02 19 4.0187794E+01 7.5905565E-04 4.1934769E-01 -4.6378255E-01 2.5314660E-01 -8.9675942E-02 20 2.1892839E+01 -4.6514755E-04 1.2341165E-01 2.8415532E-02 -1.4152566E-02 1.3594454E-03 21 1.2282452E+01 2.3975381E-04 6.1329068E-03 6.8579751E-01 -6.1403136E-01 2.5329109E-01 22 6.9006489E+00 -1.7536021E-04 1.9438948E-03 5.0817121E-01 -6.7136051E-01 2.7426714E-01 23 3.7685525E+00 9.8275307E-05 -8.4751127E-04 9.2717855E-02 2.5933560E-01 -1.3093781E-01 24 1.9974585E+00 -4.5188838E-05 2.0089630E-04 4.2489745E-03 8.4433219E-01 -5.5074421E-01 25 1.0477282E+00 2.0337693E-05 -1.4051377E-04 9.6831254E-04 3.7165910E-01 -3.8688865E-01 26 4.2646199E-01 -7.3018842E-06 4.6554063E-05 -1.1045605E-04 1.9794772E-02 4.6695366E-01 27 2.0028304E-01 3.2215348E-06 -1.7905279E-05 -6.8882816E-06 -1.5816620E-03 6.8743025E-01 28 8.8978635E-02 -8.2548204E-07 5.2387255E-06 -1.3074644E-05 5.4780420E-04 1.9867266E-01 2p- 3p- 4p- 5p- 1 7.5310209E+06 3.5042081E-05 -1.6359566E-05 7.1485350E-06 -2.1403210E-06 2 1.1662681E+06 1.0931857E-04 -5.1042283E-05 2.2302924E-05 -6.6768254E-06 3 2.5045040E+05 2.9676779E-04 -1.3861256E-04 6.0579219E-05 -1.8141498E-05 4 6.5445899E+04 7.5415695E-04 -3.5260026E-04 1.5408300E-04 -4.6111623E-05 5 1.9932240E+04 1.9251333E-03 -9.0215932E-04 3.9466441E-04 -1.1828835E-04 6 6.9208735E+03 5.1926230E-03 -2.4448156E-03 1.0693462E-03 -3.1975304E-04 7 2.6846079E+03 1.4757693E-02 -7.0062368E-03 3.0745496E-03 -9.2301029E-04 8 1.1374703E+03 4.1539574E-02 -2.0034465E-02 8.8007944E-03 -2.6308034E-03 9 5.1621020E+02 1.0618853E-01 -5.2726980E-02 2.3360481E-02 -7.0317424E-03 10 2.4693983E+02 2.2304989E-01 -1.1585451E-01 5.1630295E-02 -1.5448633E-02 11 1.2274916E+02 3.4182929E-01 -1.8749811E-01 8.5117135E-02 -2.5818278E-02 12 6.2799497E+01 3.1352767E-01 -1.5255728E-01 6.5484232E-02 -1.9120063E-02 13 3.2487371E+01 1.2973848E-01 1.3414830E-01 -8.9006576E-02 2.7484209E-02 14 1.6723605E+01 1.5210319E-02 4.9282178E-01 -3.2841895E-01 1.0803853E-01 15 8.7679297E+00 7.8975884E-04 4.1565118E-01 -2.8131460E-01 8.5423593E-02 16 4.4589051E+00 -2.5525831E-04 9.6203544E-02 2.9355014E-01 -1.1997636E-01 17 2.2338061E+00 3.4443678E-05 3.0165793E-03 6.2336051E-01 -2.8671531E-01 18 1.0911480E+00 -6.6681917E-05 1.1227189E-03 2.9366072E-01 -1.0078595E-01 19 4.3929315E-01 1.9543521E-05 -2.6966006E-04 2.3161875E-02 4.1355969E-01 20 1.8360774E-01 -7.7802757E-06 8.1582106E-05 -1.4262753E-04 5.6387305E-01 21 7.2403358E-02 2.7987557E-06 -3.5635214E-05 6.0267348E-04 2.0537494E-01 2p+ 3p+ 4p+ 5p+ 1 7.5310209E+06 1.7305928E-07 -8.1759541E-08 3.5821983E-08 -1.0538197E-08 2 1.1662681E+06 1.6103205E-06 -7.6145219E-07 3.3222806E-07 -9.6870619E-08 3 2.5045040E+05 1.2006384E-05 -5.6842874E-06 2.4907005E-06 -7.3226221E-07 4 6.5445899E+04 7.8183916E-05 -3.7065397E-05 1.6187751E-05 -4.7249370E-06 5 1.9932240E+04 4.4363214E-04 -2.1070253E-04 9.2341719E-05 -2.7126801E-05 6 6.9208735E+03 2.1521436E-03 -1.0254268E-03 4.4843371E-04 -1.3100034E-04 7 2.6846079E+03 8.8559965E-03 -4.2480900E-03 1.8651160E-03 -5.4788829E-04 8 1.1374703E+03 3.0846720E-02 -1.5007281E-02 6.5906107E-03 -1.9268402E-03 9 5.1621020E+02 8.9344362E-02 -4.4704310E-02 1.9798043E-02 -5.8255103E-03 10 2.4693983E+02 2.0416904E-01 -1.0678021E-01 4.7569373E-02 -1.3930701E-02 11 1.2274916E+02 3.3599417E-01 -1.8650971E-01 8.4648804E-02 -2.5066248E-02 12 6.2799497E+01 3.3316526E-01 -1.7517237E-01 7.7091899E-02 -2.2297912E-02 13 3.2487371E+01 1.5297154E-01 9.0030942E-02 -6.4132507E-02 1.9481677E-02 14 1.6723605E+01 2.1033955E-02 4.7329590E-01 -3.1220423E-01 9.9677671E-02 15 8.7679297E+00 8.9351909E-04 4.4922142E-01 -3.1709008E-01 9.6749628E-02 16 4.4589051E+00 -2.2502815E-04 1.1867272E-01 2.3603777E-01 -9.5666891E-02 17 2.2338061E+00 1.1193352E-05 4.6503342E-03 6.2521059E-01 -2.7395827E-01 18 1.0911480E+00 -6.5318927E-05 1.4163833E-03 3.3573361E-01 -1.3797302E-01 19 4.3929315E-01 1.8171362E-05 -3.4682954E-04 3.2299688E-02 3.6391249E-01 20 1.8360774E-01 -7.1680849E-06 1.1175492E-04 -8.2732660E-04 5.7281158E-01 21 7.2403358E-02 2.7587433E-06 -4.7848774E-05 9.9886310E-04 2.5478370E-01 3d- 4d- 1 8.6279708E+03 6.7917286E-05 -2.7922483E-05 2 2.2813047E+03 4.6230822E-04 -1.9060941E-04 3 8.2732533E+02 2.5728721E-03 -1.0620884E-03 4 3.5190121E+02 1.1520788E-02 -4.7869858E-03 5 1.6496856E+02 4.0293846E-02 -1.6849298E-02 6 8.2183367E+01 1.0990278E-01 -4.6720778E-02 7 4.2729088E+01 2.2507948E-01 -9.6084040E-02 8 2.2703366E+01 3.2990868E-01 -1.3647277E-01 9 1.2260601E+01 3.1687381E-01 -1.0626551E-01 10 6.6400786E+00 1.6077047E-01 8.5320431E-02 11 3.5392069E+00 3.3917019E-02 3.3322719E-01 12 1.8418472E+00 1.9549459E-03 4.1699480E-01 13 9.3488753E-01 7.8560783E-05 2.6367530E-01 14 4.4933710E-01 -4.6226380E-05 7.3072797E-02 15 1.8644465E-01 -4.8565795E-06 5.8752404E-03 3d+ 4d+ 1 8.6279708E+03 2.5132113E-05 -1.0300610E-05 2 2.2813047E+03 3.0268655E-04 -1.2451654E-04 3 8.2732533E+02 2.0917446E-03 -8.6108063E-04 4 3.5190121E+02 1.0304786E-02 -4.2698017E-03 5 1.6496856E+02 3.7819410E-02 -1.5769606E-02 6 8.2183367E+01 1.0588739E-01 -4.4886546E-02 7 4.2729088E+01 2.2051745E-01 -9.3984261E-02 8 2.2703366E+01 3.2823878E-01 -1.3587374E-01 9 1.2260601E+01 3.2100495E-01 -1.0974666E-01 10 6.6400786E+00 1.6646909E-01 7.6797791E-02 11 3.5392069E+00 3.6112211E-02 3.2569681E-01 12 1.8418472E+00 2.1482795E-03 4.1851598E-01 13 9.3488753E-01 9.5418188E-05 2.7197807E-01 14 4.4933710E-01 -4.6262433E-05 7.7919830E-02 15 1.8644465E-01 -4.7994370E-06 6.5449639E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.6175652E+07 -4.5381202E-05 1.5742391E-05 -7.0425559E-06 3.1772013E-06 -1.0993542E-06 2 1.9849983E+07 -1.6028160E-04 5.5596241E-05 -2.4871245E-05 1.1217469E-05 -3.8782577E-06 3 6.5395721E+06 -3.3216600E-04 1.1525471E-04 -5.1562597E-05 2.3263513E-05 -8.0507716E-06 4 2.3596246E+06 -6.6051515E-04 2.2920567E-04 -1.0254238E-04 4.6245925E-05 -1.5985152E-05 5 9.1352219E+05 -1.2272433E-03 4.2616463E-04 -1.9067997E-04 8.6036948E-05 -2.9780774E-05 6 3.7073402E+05 -2.2279645E-03 7.7417031E-04 -3.4641873E-04 1.5622919E-04 -5.3991478E-05 7 1.5693523E+05 -3.9041814E-03 1.3592675E-03 -6.0841866E-04 2.7456556E-04 -9.5057935E-05 8 6.8905393E+04 -6.6627321E-03 2.3264857E-03 -1.0417998E-03 4.6987408E-04 -1.6235424E-04 9 3.1288540E+04 -1.1014973E-02 3.8716912E-03 -1.7355059E-03 7.8349851E-04 -2.7134100E-04 10 1.4648899E+04 -1.7587244E-02 6.2548273E-03 -2.8087277E-03 1.2674174E-03 -4.3784614E-04 11 7.0539515E+03 -2.6777010E-02 9.7516252E-03 -4.3949335E-03 1.9866248E-03 -6.8842342E-04 12 3.4846093E+03 -3.8043405E-02 1.4467832E-02 -6.5640045E-03 2.9679309E-03 -1.0252399E-03 13 1.7615182E+03 -4.8328833E-02 1.9945044E-02 -9.1656058E-03 4.1612568E-03 -1.4442426E-03 14 9.0920153E+02 -5.0878245E-02 2.4226969E-02 -1.1395203E-02 5.1899075E-03 -1.7932863E-03 15 4.7786933E+02 -3.8683734E-02 2.3123964E-02 -1.1319329E-02 5.2140419E-03 -1.8195108E-03 16 2.5427862E+02 -1.6921712E-02 1.0986110E-02 -5.6117768E-03 2.5933216E-03 -8.8798170E-04 17 1.3385760E+02 -2.7708204E-03 -1.1294729E-02 7.3988408E-03 -3.5875588E-03 1.2373346E-03 18 7.3157057E+01 -2.9260673E-05 -2.5571105E-02 2.1021376E-02 -1.0892526E-02 3.9078261E-03 19 4.0187794E+01 -3.1214852E-05 -1.6855486E-02 1.8584053E-02 -1.0140260E-02 3.5919367E-03 20 2.1892839E+01 1.4112320E-05 -3.6655445E-03 -8.1631880E-04 3.9968664E-04 -3.3027783E-05 21 1.2282452E+01 -5.4539424E-06 -1.3594559E-04 -1.5189998E-02 1.3588397E-02 -5.6044606E-03 22 6.9006489E+00 2.9701777E-06 -3.2652962E-05 -8.4433640E-03 1.1147800E-02 -4.5541428E-03 23 3.7685525E+00 -1.2254704E-06 1.0590698E-05 -1.1384951E-03 -3.1797524E-03 1.6050794E-03 24 1.9974585E+00 4.0746670E-07 -1.8820209E-06 -3.8004220E-05 -7.5419386E-03 4.9187282E-03 25 1.0477282E+00 -1.3150571E-07 9.4550428E-07 -6.2552944E-06 -2.4046094E-03 2.5028275E-03 26 4.2646199E-01 2.9498945E-08 -2.0522592E-07 4.5217271E-07 -8.1699933E-05 -1.9270957E-03 27 2.0028304E-01 -8.6265141E-09 5.6782330E-08 2.1383090E-08 4.4706973E-06 -1.9442535E-03 28 8.8978635E-02 1.3863095E-09 -1.1558775E-08 2.4127993E-08 -1.0318303E-06 -3.7452696E-04 2p- 3p- 4p- 5p- 1 7.5310209E+06 -8.5839145E-06 4.0098521E-06 -1.7532638E-06 5.2556395E-07 2 1.1662681E+06 -3.0999911E-05 1.4493993E-05 -6.3301477E-06 1.8919187E-06 3 2.5045040E+05 -9.4120424E-05 4.4059520E-05 -1.9281334E-05 5.7862630E-06 4 6.5445899E+04 -2.7203216E-04 1.2758416E-04 -5.5738401E-05 1.6648714E-05 5 1.9932240E+04 -7.5046338E-04 3.5278041E-04 -1.5453662E-04 4.6399552E-05 6 6.9208735E+03 -1.9405776E-03 9.1589989E-04 -4.0059691E-04 1.1965585E-04 7 2.6846079E+03 -4.6115777E-03 2.1924694E-03 -9.6267601E-04 2.8921767E-04 8 1.1374703E+03 -9.8684776E-03 4.7633311E-03 -2.0924149E-03 6.2525739E-04 9 5.1621020E+02 -1.8334647E-02 9.1099759E-03 -4.0369727E-03 1.2154474E-03 10 2.4693983E+02 -2.7614642E-02 1.4358993E-02 -6.3999147E-03 1.9147772E-03 11 1.2274916E+02 -3.0328998E-02 1.6670434E-02 -7.5708487E-03 2.2967901E-03 12 6.2799497E+01 -1.9979592E-02 9.7710915E-03 -4.1995984E-03 1.2263376E-03 13 3.2487371E+01 -5.8459181E-03 -6.2483114E-03 4.1325689E-03 -1.2755824E-03 14 1.6723605E+01 -3.8388964E-04 -1.6449390E-02 1.0951550E-02 -3.6022022E-03 15 8.7679297E+00 5.7745773E-05 -1.0052080E-02 6.8022640E-03 -2.0658913E-03 16 4.4589051E+00 5.3934766E-05 -1.6614956E-03 -5.0497520E-03 2.0641229E-03 17 2.2338061E+00 2.8601745E-05 -3.8484322E-05 -7.5978187E-03 3.4949038E-03 18 1.0911480E+00 1.9968374E-05 -1.0666752E-05 -2.5004208E-03 8.5843282E-04 19 4.3929315E-01 1.2784931E-05 7.2063422E-07 -1.2355833E-04 -2.2365899E-03 20 1.8360774E-01 3.8364210E-06 -5.0003741E-07 1.0068132E-06 -1.9713743E-03 21 7.2403358E-02 5.3126274E-06 -2.2510014E-07 -6.1855916E-07 -4.5099131E-04 2p+ 3p+ 4p+ 5p+ 1 7.5310209E+06 -5.1085280E-07 2.4116735E-07 -1.0617247E-07 3.1546448E-08 2 1.1662681E+06 -3.9634038E-06 1.8709464E-06 -8.1368207E-07 2.3582417E-07 3 2.5045040E+05 -2.2568625E-05 1.0656177E-05 -4.6735180E-06 1.3779353E-06 4 6.5445899E+04 -1.0346467E-04 4.8871055E-05 -2.1313381E-05 6.2113286E-06 5 1.9932240E+04 -3.9342162E-04 1.8605681E-04 -8.1498710E-05 2.3954466E-05 6 6.9208735E+03 -1.2600303E-03 5.9762017E-04 -2.6106748E-04 7.6226961E-05 7 2.6846079E+03 -3.4494892E-03 1.6471374E-03 -7.2258691E-04 2.1227071E-04 8 1.1374703E+03 -8.1258008E-03 3.9359990E-03 -1.7269720E-03 5.0477620E-04 9 5.1621020E+02 -1.6211352E-02 8.0788031E-03 -3.5751328E-03 1.0518913E-03 10 2.4693983E+02 -2.5942717E-02 1.3520095E-02 -6.0189642E-03 1.7624054E-03 11 1.2274916E+02 -3.0307284E-02 1.6774118E-02 -7.6091723E-03 2.2530747E-03 12 6.2799497E+01 -2.1577219E-02 1.1325712E-02 -4.9846016E-03 1.4418058E-03 13 3.2487371E+01 -7.1366592E-03 -4.1617428E-03 2.9649898E-03 -9.0052030E-04 14 1.6723605E+01 -7.0464997E-04 -1.5783615E-02 1.0405274E-02 -3.3218158E-03 15 8.7679297E+00 -2.1500285E-05 -1.0858278E-02 7.6615021E-03 -2.3377024E-03 16 4.4589051E+00 3.8114683E-06 -2.0458738E-03 -4.0644437E-03 1.6471774E-03 17 2.2338061E+00 -9.8060584E-08 -5.6817543E-05 -7.6239247E-03 3.3403715E-03 18 1.0911480E+00 5.3964160E-07 -1.2042114E-05 -2.8615835E-03 1.1759349E-03 19 4.3929315E-01 -9.1329693E-08 1.8628224E-06 -1.7467954E-04 -1.9678219E-03 20 1.8360774E-01 2.1898611E-08 -3.8475068E-07 2.8923189E-06 -2.0025307E-03 21 7.2403358E-02 -5.0612635E-09 1.0315314E-07 -2.1927129E-06 -5.5933721E-04 3d- 4d- 1 8.6279708E+03 -2.5741202E-05 1.0579634E-05 2 2.2813047E+03 -1.5311257E-04 6.3157516E-05 3 8.2732533E+02 -6.2096447E-04 2.5632708E-04 4 3.5190121E+02 -1.9603265E-03 8.1457738E-04 5 1.6496856E+02 -4.8538648E-03 2.0297112E-03 6 8.2183367E+01 -9.4860233E-03 4.0327989E-03 7 4.2729088E+01 -1.4105488E-02 6.0227719E-03 8 2.2703366E+01 -1.5121513E-02 6.2572741E-03 9 1.2260601E+01 -1.0688326E-02 3.5868738E-03 10 6.6400786E+00 -3.9893917E-03 -2.1200330E-03 11 3.5392069E+00 -6.1069387E-04 -6.0494337E-03 12 1.8418472E+00 -2.3153543E-05 -5.4621501E-03 13 9.3488753E-01 4.6568837E-07 -2.4607389E-03 14 4.4933710E-01 7.4931188E-07 -4.7268361E-04 15 1.8644465E-01 2.9972687E-07 -2.4376752E-05 3d+ 4d+ 1 8.6279708E+03 -1.8852103E-05 7.7192564E-06 2 2.2813047E+03 -1.2830092E-04 5.2743473E-05 3 8.2732533E+02 -5.5647506E-04 2.2890520E-04 4 3.5190121E+02 -1.8253167E-03 7.5583191E-04 5 1.6496856E+02 -4.6362217E-03 1.9320272E-03 6 8.2183367E+01 -9.2163726E-03 3.9048506E-03 7 4.2729088E+01 -1.3883739E-02 5.9146788E-03 8 2.2703366E+01 -1.5085620E-02 6.2425656E-03 9 1.2260601E+01 -1.0850967E-02 3.7096094E-03 10 6.6400786E+00 -4.1427310E-03 -1.9083351E-03 11 3.5392069E+00 -6.5618473E-04 -5.9139196E-03 12 1.8418472E+00 -2.8154131E-05 -5.4829471E-03 13 9.3488753E-01 -8.9366344E-07 -2.5387195E-03 14 4.4933710E-01 3.0059644E-07 -5.0424036E-04 15 1.8644465E-01 1.9702450E-08 -2.7283011E-05 ** Xe 132 ** Large component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.4842326E+07 2.8931085E-05 -1.0091426E-05 4.5336439E-06 -2.0675299E-06 7.3777738E-07 2 1.9588576E+07 7.2757291E-05 -2.5431081E-05 1.1428564E-05 -5.2119326E-06 1.8595279E-06 3 6.5005892E+06 1.5912878E-04 -5.5753771E-05 2.5064077E-05 -1.1432220E-05 4.0799932E-06 4 2.3660738E+06 3.2821214E-04 -1.1539729E-04 5.1903215E-05 -2.3673495E-05 8.4455707E-06 5 9.2486302E+05 6.7846154E-04 -2.3957638E-04 1.0782355E-04 -4.9194849E-05 1.7560523E-05 6 3.7882078E+05 1.4046906E-03 -4.9860636E-04 2.2457201E-04 -1.0245247E-04 3.6545229E-05 7 1.6170485E+05 2.9391815E-03 -1.0498164E-03 4.7326107E-04 -2.1601987E-04 7.7134011E-05 8 7.1500385E+04 6.1941831E-03 -2.2281788E-03 1.0055141E-03 -4.5887226E-04 1.6364899E-04 9 3.2655217E+04 1.3068934E-02 -4.7468824E-03 2.1451659E-03 -9.7977826E-04 3.5000011E-04 10 1.5356984E+04 2.7291830E-02 -1.0050742E-02 4.5514729E-03 -2.0783730E-03 7.4105082E-04 11 7.4175971E+03 5.5382917E-02 -2.0896836E-02 9.4977815E-03 -4.3439382E-03 1.5528191E-03 12 3.6712961E+03 1.0614614E-01 -4.1789518E-02 1.9118390E-02 -8.7476373E-03 3.1187087E-03 13 1.8580138E+03 1.8336504E-01 -7.8146466E-02 3.6195529E-02 -1.6625789E-02 5.9524690E-03 14 9.5948920E+02 2.6386884E-01 -1.2920308E-01 6.1211132E-02 -2.8206962E-02 1.0059732E-02 15 5.0426997E+02 2.7555346E-01 -1.6825239E-01 8.2837650E-02 -3.8590860E-02 1.3889171E-02 16 2.6819983E+02 1.6669591E-01 -1.1015600E-01 5.6393147E-02 -2.6351771E-02 9.3235196E-03 17 1.4115166E+02 3.8483591E-02 1.5098148E-01 -1.0014366E-01 4.9221989E-02 -1.7552896E-02 18 7.7095437E+01 6.0041232E-04 4.7036615E-01 -3.8875003E-01 2.0387874E-01 -7.5471742E-02 19 4.2337388E+01 8.0853673E-04 4.2310883E-01 -4.6888193E-01 2.5929615E-01 -9.5014969E-02 20 2.3091448E+01 -5.0439920E-04 1.2655991E-01 2.0728037E-02 -9.7660748E-03 -1.5671962E-04 21 1.2981009E+01 2.7254244E-04 6.4952132E-03 6.8342007E-01 -6.2111440E-01 2.6525477E-01 22 7.3238589E+00 -2.0073611E-04 1.9777288E-03 5.1171311E-01 -6.8291049E-01 2.8930397E-01 23 4.0360618E+00 1.1504853E-04 -8.8075615E-04 9.7385212E-02 2.4497897E-01 -1.2715671E-01 24 2.1573514E+00 -5.4347620E-05 2.1048879E-04 4.7142866E-03 8.5383585E-01 -5.8349831E-01 25 1.1432416E+00 2.4808987E-05 -1.4872717E-04 9.7993949E-04 3.7953324E-01 -4.1017743E-01 26 4.8412479E-01 -9.0351771E-06 5.1295765E-05 -1.4653964E-04 2.1592464E-02 4.7697245E-01 27 2.2781926E-01 3.7708532E-06 -1.7741687E-05 -1.3441899E-05 -1.1281239E-03 7.0141765E-01 28 1.0134246E-01 -9.4836077E-07 5.3402129E-06 -1.5917343E-05 5.2411370E-04 1.9895246E-01 2p- 3p- 4p- 5p- 1 8.1013156E+06 3.5871393E-05 -1.6829513E-05 7.4594738E-06 -2.3305997E-06 2 1.2652438E+06 1.1165769E-04 -5.2392181E-05 2.3221582E-05 -7.2543781E-06 3 2.7261885E+05 3.0181305E-04 -1.4166421E-04 6.2801258E-05 -1.9625025E-05 4 7.1272001E+04 7.6260859E-04 -3.5830446E-04 1.5882726E-04 -4.9601335E-05 5 2.1662368E+04 1.9295300E-03 -9.0860526E-04 4.0317171E-04 -1.2608954E-04 6 7.4933322E+03 5.1441198E-03 -2.4336885E-03 1.0798306E-03 -3.3696891E-04 7 2.8944848E+03 1.4475669E-02 -6.9045484E-03 3.0731810E-03 -9.6268860E-04 8 1.2217449E+03 4.0560482E-02 -1.9650144E-02 8.7565899E-03 -2.7318539E-03 9 5.5268974E+02 1.0381247E-01 -5.1748609E-02 2.3252845E-02 -7.3039107E-03 10 2.6372757E+02 2.1941884E-01 -1.1437943E-01 5.1711336E-02 -1.6150861E-02 11 1.3084652E+02 3.3992194E-01 -1.8707919E-01 8.6130387E-02 -2.7264265E-02 12 6.6861144E+01 3.1712392E-01 -1.5690493E-01 6.8686108E-02 -2.0973500E-02 13 3.4584003E+01 1.3453845E-01 1.2593866E-01 -8.6212947E-02 2.7898996E-02 14 1.7801902E+01 1.6380135E-02 4.9049913E-01 -3.3248633E-01 1.1453849E-01 15 9.3446890E+00 7.6862384E-04 4.2107816E-01 -2.9093288E-01 9.2716049E-02 16 4.7671019E+00 -2.4375461E-04 9.9620144E-02 2.9244796E-01 -1.2662358E-01 17 2.4002268E+00 2.9016978E-05 3.1911032E-03 6.3003134E-01 -3.0883364E-01 18 1.1849369E+00 -6.6340345E-05 1.1457280E-03 2.9034994E-01 -1.0052842E-01 19 4.9231549E-01 1.9589586E-05 -2.8108796E-04 2.2596283E-02 4.3461329E-01 20 2.0747488E-01 -8.5557636E-06 1.0157599E-04 -5.6405716E-04 5.6059355E-01 21 8.2333286E-02 2.4790559E-06 -3.0588908E-05 2.7605234E-04 1.9302775E-01 2p+ 3p+ 4p+ 5p+ 1 8.1013156E+06 1.7172464E-07 -8.1572531E-08 3.6272300E-08 -1.1114856E-08 2 1.2652438E+06 1.5684995E-06 -7.4585276E-07 3.3033985E-07 -1.0030861E-07 3 2.7261885E+05 1.1528557E-05 -5.4881233E-06 2.4405922E-06 -7.4736636E-07 4 7.1272001E+04 7.4325038E-05 -3.5435848E-05 1.5709867E-05 -4.7754624E-06 5 2.1662368E+04 4.2031861E-04 -2.0074291E-04 8.9292006E-05 -2.7321355E-05 6 7.4933322E+03 2.0430293E-03 -9.7891699E-04 4.3455922E-04 -1.3221200E-04 7 2.8944848E+03 8.4478835E-03 -4.0741004E-03 1.8154437E-03 -5.5546222E-04 8 1.2217449E+03 2.9611652E-02 -1.4480075E-02 6.4548357E-03 -1.9654887E-03 9 5.5268974E+02 8.6456584E-02 -4.3452064E-02 1.9529247E-02 -5.9855176E-03 10 2.6372757E+02 1.9965108E-01 -1.0484502E-01 4.7411259E-02 -1.4462718E-02 11 1.3084652E+02 3.3315989E-01 -1.8563254E-01 8.5500180E-02 -2.6376142E-02 12 6.6861144E+01 3.3694334E-01 -1.7980112E-01 8.0642779E-02 -2.4322637E-02 13 3.4584003E+01 1.5911629E-01 7.9899790E-02 -5.9919149E-02 1.9039185E-02 14 1.7801902E+01 2.2832687E-02 4.6904090E-01 -3.1494961E-01 1.0514489E-01 15 9.3446890E+00 8.7135494E-04 4.5563060E-01 -3.2833145E-01 1.0483627E-01 16 4.7671019E+00 -1.9875674E-04 1.2352328E-01 2.3147438E-01 -9.9225990E-02 17 2.4002268E+00 -3.0486159E-06 5.0154628E-03 6.3254605E-01 -2.9498686E-01 18 1.1849369E+00 -6.1307891E-05 1.4448199E-03 3.3401694E-01 -1.4183215E-01 19 4.9231549E-01 1.6856567E-05 -3.6440703E-04 3.1934711E-02 3.8270410E-01 20 2.0747488E-01 -7.4440026E-06 1.3499894E-04 -1.2332765E-03 5.7179752E-01 21 8.2333286E-02 2.1811403E-06 -4.0712657E-05 5.0496708E-04 2.4433788E-01 3d- 4d- 1 9.5680626E+03 6.4257144E-05 -2.7128885E-05 2 2.5154375E+03 4.2976459E-04 -1.8190713E-04 3 9.0886626E+02 2.3740114E-03 -1.0063370E-03 4 3.8562091E+02 1.0656971E-02 -4.5455956E-03 5 1.8055116E+02 3.7616720E-02 -1.6149948E-02 6 8.9914006E+01 1.0391455E-01 -4.5332462E-02 7 4.6771497E+01 2.1686246E-01 -9.5220095E-02 8 2.4894688E+01 3.2505639E-01 -1.3864376E-01 9 1.3474708E+01 3.2241393E-01 -1.1472490E-01 10 7.3269232E+00 1.7136052E-01 7.2261410E-02 11 3.9299390E+00 3.8741977E-02 3.2786221E-01 12 2.0616717E+00 2.4255382E-03 4.2279588E-01 13 1.0565610E+00 8.2901902E-05 2.6778253E-01 14 5.1278541E-01 -5.7341342E-05 7.3838189E-02 15 2.1522200E-01 -6.4432169E-06 6.1955270E-03 3d+ 4d+ 1 9.5680626E+03 2.2467585E-05 -9.4633750E-06 2 2.5154375E+03 2.7273777E-04 -1.1523963E-04 3 9.0886626E+02 1.8998449E-03 -8.0355358E-04 4 3.8562091E+02 9.4507404E-03 -4.0219315E-03 5 1.8055116E+02 3.5134716E-02 -1.5049445E-02 6 8.9914006E+01 9.9832828E-02 -4.3450218E-02 7 4.6771497E+01 2.1208398E-01 -9.3015656E-02 8 2.4894688E+01 3.2301838E-01 -1.3793009E-01 9 1.3474708E+01 3.2637106E-01 -1.1819576E-01 10 7.3269232E+00 1.7737465E-01 6.3476890E-02 11 3.9299390E+00 4.1251761E-02 3.1989378E-01 12 2.0616717E+00 2.6760044E-03 4.2428264E-01 13 1.0565610E+00 1.0147151E-04 2.7628659E-01 14 5.1278541E-01 -5.6428161E-05 7.8645852E-02 15 2.1522200E-01 -6.6223915E-06 6.8808920E-03 Small component functions ------------------------- 1s+ 2s+ 3s+ 4s+ 5s+ 1 7.4842326E+07 -4.8652186E-05 1.6942761E-05 -7.6098317E-06 3.4705684E-06 -1.2387890E-06 2 1.9588576E+07 -1.7119387E-04 5.9613077E-05 -2.6775026E-05 1.2208036E-05 -4.3543111E-06 3 6.5005892E+06 -3.5135228E-04 1.2238784E-04 -5.4972513E-05 2.5072492E-05 -8.9508154E-06 4 2.3660738E+06 -6.9280177E-04 2.4135263E-04 -1.0840993E-04 4.9426282E-05 -1.7625227E-05 5 9.2486302E+05 -1.2753539E-03 4.4461152E-04 -1.9972870E-04 9.1103033E-05 -3.2530206E-05 6 3.7882078E+05 -2.2982376E-03 8.0174720E-04 -3.6020104E-04 1.6421961E-04 -5.8549407E-05 7 1.6170485E+05 -4.0015097E-03 1.3986717E-03 -6.2856105E-04 2.8675047E-04 -1.0241115E-04 8 7.1500385E+04 -6.7948366E-03 2.3820429E-03 -1.0709781E-03 4.8831442E-04 -1.7406914E-04 9 3.2655217E+04 -1.1187728E-02 3.9478276E-03 -1.7767146E-03 8.1085394E-04 -2.8967698E-04 10 1.5356984E+04 -1.7818144E-02 6.3609795E-03 -2.8678939E-03 1.3082770E-03 -4.6628834E-04 11 7.4175971E+03 -2.7099071E-02 9.9026204E-03 -4.4806391E-03 2.0474512E-03 -7.3187098E-04 12 3.6712961E+03 -3.8507472E-02 1.4683754E-02 -6.6881586E-03 3.0572052E-03 -1.0896209E-03 13 1.8580138E+03 -4.9015225E-02 2.0251983E-02 -9.3413238E-03 4.2871807E-03 -1.5347830E-03 14 9.5948920E+02 -5.1867026E-02 2.4662302E-02 -1.1640581E-02 5.3598563E-03 -1.9111255E-03 15 5.0426997E+02 -3.9829908E-02 2.3684653E-02 -1.1627751E-02 5.4138604E-03 -1.9483162E-03 16 2.6819983E+02 -1.7715414E-02 1.1519310E-02 -5.9010690E-03 2.7580383E-03 -9.7606107E-04 17 1.4115166E+02 -2.9790303E-03 -1.1182655E-02 7.3709965E-03 -3.6178609E-03 1.2893869E-03 18 7.7095437E+01 -3.3994773E-05 -2.6109774E-02 2.1485306E-02 -1.1259356E-02 4.1674901E-03 19 4.2337388E+01 -3.4160832E-05 -1.7457753E-02 1.9283698E-02 -1.0660090E-02 3.9059626E-03 20 2.3091448E+01 1.5730088E-05 -3.8613243E-03 -6.0333245E-04 2.7582850E-04 1.2955875E-05 21 1.2981009E+01 -6.3761003E-06 -1.4807141E-04 -1.5561675E-02 1.4129748E-02 -6.0333340E-03 22 7.3238589E+00 3.5042897E-06 -3.4235429E-05 -8.7594404E-03 1.1682224E-02 -4.9489608E-03 23 4.0360618E+00 -1.4848746E-06 1.1394043E-05 -1.2375769E-03 -3.1081725E-03 1.6128753E-03 24 2.1573514E+00 5.0915177E-07 -2.0511787E-06 -4.3827084E-05 -7.9262265E-03 5.4157534E-03 25 1.1432416E+00 -1.6743685E-07 1.0464460E-06 -6.6102123E-06 -2.5650939E-03 2.7718221E-03 26 4.8412479E-01 3.8854187E-08 -2.4058247E-07 6.3967314E-07 -9.4952324E-05 -2.0973031E-03 27 2.2781926E-01 -1.0737812E-08 6.0212118E-08 4.2879587E-08 3.3985633E-06 -2.1158005E-03 28 1.0134246E-01 1.6898712E-09 -1.2539652E-08 3.1402936E-08 -1.0531719E-06 -4.0026587E-04 2p- 3p- 4p- 5p- 1 8.1013156E+06 -8.9136882E-06 4.1843864E-06 -1.8557652E-06 5.8046919E-07 2 1.2652438E+06 -3.1967869E-05 1.5020728E-05 -6.6548730E-06 2.0756805E-06 3 2.7261885E+05 -9.6100849E-05 4.5207384E-05 -2.0066220E-05 6.2833443E-06 4 7.1272001E+04 -2.7508096E-04 1.2966012E-04 -5.7464635E-05 1.7912805E-05 5 2.1662368E+04 -7.5381282E-04 3.5611132E-04 -1.5822670E-04 4.9571968E-05 6 7.4933322E+03 -1.9430192E-03 9.2165855E-04 -4.0895379E-04 1.2747901E-04 7 2.8944848E+03 -4.6154488E-03 2.2048599E-03 -9.8195848E-04 3.0783713E-04 8 1.2217449E+03 -9.8944697E-03 4.7977540E-03 -2.1380076E-03 6.6676461E-04 9 5.5268974E+02 -1.8461707E-02 9.2093025E-03 -4.1390154E-03 1.3004095E-03 10 2.6372757E+02 -2.8010185E-02 1.4617760E-02 -6.6097002E-03 2.0641895E-03 11 1.3084652E+02 -3.1104179E-02 1.7154955E-02 -7.9013802E-03 2.5015564E-03 12 6.6861144E+01 -2.0840311E-02 1.0364843E-02 -4.5432789E-03 1.3874856E-03 13 3.4584003E+01 -6.2534518E-03 -6.0535801E-03 4.1293198E-03 -1.3356554E-03 14 1.7801902E+01 -4.3059184E-04 -1.6891318E-02 1.1438215E-02 -3.9397828E-03 15 9.3446890E+00 6.3786844E-05 -1.0513280E-02 7.2626337E-03 -2.3148651E-03 16 4.7671019E+00 5.7533729E-05 -1.7789844E-03 -5.2011807E-03 2.2522896E-03 17 2.4002268E+00 3.1209261E-05 -4.2145210E-05 -7.9598311E-03 3.9021513E-03 18 1.1849369E+00 2.1069021E-05 -1.1304550E-05 -2.5761997E-03 8.9226237E-04 19 4.9231549E-01 1.4088743E-05 8.1639909E-07 -1.2744994E-04 -2.4882633E-03 20 2.0747488E-01 4.2874085E-06 -6.1126590E-07 2.6762847E-06 -2.0834136E-03 21 8.2333286E-02 6.0288943E-06 -2.6395694E-07 1.7133273E-07 -4.5203264E-04 2p+ 3p+ 4p+ 5p+ 1 8.1013156E+06 -5.0071542E-07 2.3763126E-07 -1.0616203E-07 3.2873524E-08 2 1.2652438E+06 -3.8523865E-06 1.8289796E-06 -8.0748508E-07 2.4363142E-07 3 2.7261885E+05 -2.1865709E-05 1.0380314E-05 -4.6202985E-06 1.4191734E-06 4 7.1272001E+04 -1.0028110E-04 4.7633828E-05 -2.1087112E-05 6.3992573E-06 5 2.1662368E+04 -3.8288018E-04 1.8205598E-04 -8.0935464E-05 2.4778893E-05 6 7.4933322E+03 -1.2336159E-03 5.8829200E-04 -2.6086165E-04 7.9322257E-05 7 2.8944848E+03 -3.3992141E-03 1.6315410E-03 -7.2639955E-04 2.2225955E-04 8 1.2217449E+03 -8.0610866E-03 3.9238719E-03 -1.7474885E-03 5.3196498E-04 9 5.5268974E+02 -1.6207712E-02 8.1114221E-03 -3.6427007E-03 1.1163547E-03 10 2.6372757E+02 -2.6198117E-02 1.3706749E-02 -6.1937701E-03 1.8891020E-03 11 1.3084652E+02 -3.1018654E-02 1.7229854E-02 -7.9315348E-03 2.4466244E-03 12 6.6861144E+01 -2.2516211E-02 1.1993061E-02 -5.3790708E-03 1.6224430E-03 13 3.4584003E+01 -7.6600448E-03 -3.8064642E-03 2.8558307E-03 -9.0725625E-04 14 1.7801902E+01 -7.8930042E-04 -1.6137068E-02 1.0828812E-02 -3.6148232E-03 15 9.3446890E+00 -2.1647294E-05 -1.1369895E-02 8.1898258E-03 -2.6150560E-03 16 4.7671019E+00 3.4724611E-06 -2.2019458E-03 -4.1210400E-03 1.7663823E-03 17 2.4002268E+00 7.9106921E-08 -6.3526516E-05 -7.9955453E-03 3.7283132E-03 18 1.1849369E+00 5.2610573E-07 -1.2797171E-05 -2.9668267E-03 1.2597256E-03 19 4.9231549E-01 -8.8914393E-08 2.0708313E-06 -1.8283248E-04 -2.1907678E-03 20 2.0747488E-01 2.4294519E-08 -4.9471279E-07 4.5823246E-06 -2.1249426E-03 21 8.2333286E-02 -4.0596372E-09 9.3118303E-08 -1.1817849E-06 -5.7200757E-04 3d- 4d- 1 9.5680626E+03 -2.4405683E-05 1.0302498E-05 2 2.5154375E+03 -1.4561212E-04 6.1661515E-05 3 9.0886626E+02 -5.9330422E-04 2.5149867E-04 4 3.8562091E+02 -1.8874111E-03 8.0509327E-04 5 1.8055116E+02 -4.7275783E-03 2.0297157E-03 6 8.9914006E+01 -9.3690372E-03 4.0873935E-03 7 4.6771497E+01 -1.4209379E-02 6.2404164E-03 8 2.4894688E+01 -1.5596325E-02 6.6543779E-03 9 1.3474708E+01 -1.1399171E-02 4.0589926E-03 10 7.3269232E+00 -4.4665698E-03 -1.8857072E-03 11 3.9299390E+00 -7.3542319E-04 -6.2716842E-03 12 2.0616717E+00 -3.0799058E-05 -5.8592110E-03 13 1.0565610E+00 5.8396082E-07 -2.6566769E-03 14 5.1278541E-01 9.2126607E-07 -5.1022443E-04 15 2.1522200E-01 3.6807326E-07 -2.7604973E-05 3d+ 4d+ 1 9.5680626E+03 -1.7526461E-05 7.3750122E-06 2 2.5154375E+03 -1.2062190E-04 5.0928535E-05 3 9.0886626E+02 -5.2791579E-04 2.2310875E-04 4 3.8562091E+02 -1.7490609E-03 7.4382277E-04 5 1.8055116E+02 -4.5012178E-03 1.9268080E-03 6 8.9914006E+01 -9.0836756E-03 3.9512503E-03 7 4.6771497E+01 -1.3966353E-02 6.1224900E-03 8 2.4894688E+01 -1.5543782E-02 6.6348310E-03 9 1.3474708E+01 -1.1565242E-02 4.1880134E-03 10 7.3269232E+00 -4.6368901E-03 -1.6563307E-03 11 3.9299390E+00 -7.8988222E-04 -6.1206028E-03 12 2.0616717E+00 -3.7113685E-05 -5.8808279E-03 13 1.0565610E+00 -1.0071421E-06 -2.7416476E-03 14 5.1278541E-01 3.9026003E-07 -5.4368804E-04 15 2.1522200E-01 2.9646754E-08 -3.0817966E-05 Spin-free Dirac-Hartree-Fock basis sets ======================================= ** In 115 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.8828511E+07 1.8933729E-05 -6.4764121E-06 2.8471919E-06 -1.2225678E-06 3.4026405E-07 2 2.0132218E+07 4.9337185E-05 -1.6906498E-05 7.4343825E-06 -3.1921675E-06 8.8829174E-07 3 6.4431973E+06 1.1318858E-04 -3.8872227E-05 1.7098964E-05 -7.3433651E-06 2.0440273E-06 4 2.2530565E+06 2.4633279E-04 -8.4860526E-05 3.7344124E-05 -1.6036342E-05 4.4620972E-06 5 8.4579103E+05 5.3603901E-04 -1.8540170E-04 8.1635926E-05 -3.5069056E-05 9.7632016E-06 6 3.3428916E+05 1.1687737E-03 -4.0608630E-04 1.7891851E-04 -7.6843122E-05 2.1378587E-05 7 1.3837094E+05 2.5705463E-03 -8.9813769E-04 3.9603494E-04 -1.7019545E-04 4.7395203E-05 8 5.9633004E+04 5.6795463E-03 -1.9966224E-03 8.8115181E-04 -3.7852030E-04 1.0528675E-04 9 2.6659986E+04 1.2504306E-02 -4.4359645E-03 1.9603180E-03 -8.4293723E-04 2.3482619E-04 10 1.2319769E+04 2.7081380E-02 -9.7364026E-03 4.3108176E-03 -1.8527148E-03 5.1521929E-04 11 5.8661124E+03 5.6577911E-02 -2.0859821E-02 9.2704694E-03 -3.9916268E-03 1.1126596E-03 12 2.8696677E+03 1.1067294E-01 -4.2678147E-02 1.9092700E-02 -8.2209146E-03 2.2858337E-03 13 1.4384857E+03 1.9279911E-01 -8.1023175E-02 3.6723719E-02 -1.5880782E-02 4.4328987E-03 14 7.3712296E+02 2.7475055E-01 -1.3430673E-01 6.2337461E-02 -2.7027723E-02 7.5162551E-03 15 3.8501138E+02 2.7574862E-01 -1.7166319E-01 8.3031346E-02 -3.6431897E-02 1.0218731E-02 16 2.0367818E+02 1.5307176E-01 -9.8535443E-02 4.9602889E-02 -2.1761244E-02 5.9916537E-03 17 1.0591992E+02 2.9878448E-02 1.9019308E-01 -1.2267545E-01 5.6486794E-02 -1.5721415E-02 18 5.7391516E+01 4.0553438E-05 4.9723549E-01 -4.1305244E-01 2.0380534E-01 -5.8529798E-02 19 3.1199772E+01 6.4174019E-04 3.9360996E-01 -4.3456698E-01 2.2441892E-01 -6.3703669E-02 20 1.6631752E+01 -3.9262654E-04 9.6481972E-02 1.2033589E-01 -6.7888218E-02 1.7556941E-02 21 9.2480314E+00 1.8774319E-04 2.5384545E-03 7.1259117E-01 -6.1966912E-01 2.0179120E-01 22 5.1239479E+00 -1.3069080E-04 1.8382148E-03 4.4359885E-01 -5.6772133E-01 1.8275753E-01 23 2.7148896E+00 6.8309635E-05 -7.5814162E-04 6.2909095E-02 3.6000322E-01 -1.4681337E-01 24 1.3988698E+00 -2.8155869E-05 1.7172498E-04 2.3655092E-03 7.9274957E-01 -3.8710619E-01 25 6.9570714E-01 1.1135843E-05 -1.0351123E-04 8.9435727E-04 3.1843367E-01 -2.5939989E-01 26 2.2700324E-01 -3.5486440E-06 2.7431939E-05 -3.2828386E-05 1.2352519E-02 3.7581256E-01 27 1.0307073E-01 1.9643791E-06 -1.5123853E-05 2.2169281E-05 -2.5536589E-03 6.3549050E-01 28 4.4796966E-02 -5.5015663E-07 4.3062822E-06 -8.1268613E-06 5.8308345E-04 2.2357899E-01 2p 3p 4p 5p 1 5.0126771E+06 9.2458288E-06 -4.2363165E-06 1.7327869E-06 -3.4548336E-07 2 7.5288398E+05 3.1206320E-05 -1.4302925E-05 5.8490503E-06 -1.1659066E-06 3 1.6015588E+05 9.6616362E-05 -4.4329684E-05 1.8144173E-05 -3.6189883E-06 4 4.2005870E+04 3.0716957E-04 -1.4121031E-04 5.7740311E-05 -1.1503665E-05 5 1.2991111E+04 1.0708986E-03 -4.9412230E-04 2.0261540E-04 -4.0446763E-05 6 4.6106469E+03 3.9237726E-03 -1.8189191E-03 7.4442385E-04 -1.4825975E-04 7 1.8280226E+03 1.3804515E-02 -6.4582599E-03 2.6561896E-03 -5.3061474E-04 8 7.8913992E+02 4.3523317E-02 -2.0706555E-02 8.5135058E-03 -1.6962364E-03 9 3.6362556E+02 1.1590449E-01 -5.6977317E-02 2.3665997E-02 -4.7354063E-03 10 1.7595191E+02 2.4167716E-01 -1.2453052E-01 5.1953429E-02 -1.0365290E-02 11 8.8206260E+01 3.5348521E-01 -1.9307331E-01 8.2252900E-02 -1.6544245E-02 12 4.5320837E+01 2.9558142E-01 -1.3036792E-01 5.0379502E-02 -9.8213258E-03 13 2.3361874E+01 1.0553060E-01 1.8291065E-01 -1.0607544E-01 2.1809907E-02 14 1.2035091E+01 9.4812440E-03 5.0918434E-01 -3.1745319E-01 6.7838428E-02 15 6.2746108E+00 9.5271332E-04 3.7911966E-01 -2.2767816E-01 4.5702057E-02 16 3.1249486E+00 -3.5860428E-04 7.5227281E-02 3.2408951E-01 -8.3987629E-02 17 1.5220137E+00 8.2193173E-05 1.7453248E-03 5.9408283E-01 -1.6222936E-01 18 7.0335611E-01 -7.2624457E-05 1.0206889E-03 2.8863896E-01 -7.7305759E-02 19 2.4523334E-01 1.8391148E-05 -1.7460387E-04 2.2857877E-02 2.4256877E-01 20 9.3797278E-02 -8.8814830E-06 7.6022110E-05 -1.9411258E-03 5.6695074E-01 21 3.4854707E-02 2.8410420E-06 -2.6003927E-05 7.2252367E-04 3.4851504E-01 3d 4d 1 5.5359909E+03 5.9570093E-05 -2.1131406E-05 2 1.4998106E+03 5.4516818E-04 -1.9426615E-04 3 5.5192905E+02 3.3903694E-03 -1.2083751E-03 4 2.3701009E+02 1.5496458E-02 -5.5648764E-03 5 1.1152551E+02 5.2866257E-02 -1.9101932E-02 6 5.5586452E+01 1.3712097E-01 -5.0421975E-02 7 2.8785214E+01 2.5904015E-01 -9.4608359E-02 8 1.5156364E+01 3.4514973E-01 -1.2093853E-01 9 8.0839190E+00 2.8774349E-01 -6.7408127E-02 10 4.2862034E+00 1.1839015E-01 1.3038292E-01 11 2.2133167E+00 1.8092402E-02 3.3822971E-01 12 1.1038262E+00 8.8121752E-04 3.8800650E-01 13 5.3020624E-01 3.8566585E-05 2.6460804E-01 14 2.3976347E-01 1.0798992E-06 8.9309138E-02 15 8.8661618E-02 -2.9420114E-06 6.3248546E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.8828511E+07 6.2689785E-07 -2.1413225E-07 9.4119697E-08 -4.0418804E-08 1.1252643E-08 2 2.0132218E+07 4.4416641E-06 -1.5169365E-06 6.6672693E-07 -2.8621268E-07 7.9621949E-08 3 6.4431973E+06 1.6842884E-05 -5.7543505E-06 2.5293544E-06 -1.0862757E-06 3.0245586E-07 4 2.2530565E+06 5.8214168E-05 -1.9888286E-05 8.7417248E-06 -3.7523659E-06 1.0436964E-06 5 8.4579103E+05 1.8128501E-04 -6.1979652E-05 2.7246379E-05 -1.1702554E-05 3.2588951E-06 6 3.3428916E+05 5.3402107E-04 -1.8266520E-04 8.0302831E-05 -3.4468408E-05 9.5857284E-06 7 1.3837094E+05 1.4812520E-03 -5.0767485E-04 2.2325625E-04 -9.5905183E-05 2.6712143E-05 8 5.9633004E+04 3.9096965E-03 -1.3436619E-03 5.9110418E-04 -2.5373197E-04 7.0551796E-05 9 2.6659986E+04 9.7993360E-03 -3.3906215E-03 1.4931642E-03 -6.4167516E-04 1.7877137E-04 10 1.2319769E+04 2.3289632E-02 -8.1543164E-03 3.5971049E-03 -1.5447198E-03 4.2944807E-04 11 5.8661124E+03 5.1894260E-02 -1.8625245E-02 8.2469213E-03 -3.5485064E-03 9.8912916E-04 12 2.8696677E+03 1.0605203E-01 -3.9826268E-02 1.7753199E-02 -7.6383598E-03 2.1234034E-03 13 1.4384857E+03 1.9013681E-01 -7.7894667E-02 3.5188012E-02 -1.5207101E-02 4.2446246E-03 14 7.3712296E+02 2.7600941E-01 -1.3173115E-01 6.0961218E-02 -2.6414946E-02 7.3447894E-03 15 3.8501138E+02 2.8013393E-01 -1.7070105E-01 8.2382781E-02 -3.6132301E-02 1.0134105E-02 16 2.0367818E+02 1.5647083E-01 -9.9611971E-02 5.0204025E-02 -2.2032105E-02 6.0679508E-03 17 1.0591992E+02 3.0631836E-02 1.8860700E-01 -1.2107272E-01 5.5692380E-02 -1.5495228E-02 18 5.7391516E+01 3.3853772E-05 4.9762426E-01 -4.1197238E-01 2.0316106E-01 -5.8340361E-02 19 3.1199772E+01 6.5720244E-04 3.9473501E-01 -4.3476363E-01 2.2447312E-01 -6.3717587E-02 20 1.6631752E+01 -4.0206140E-04 9.6852591E-02 1.1972442E-01 -6.7399078E-02 1.7407123E-02 21 9.2480314E+00 1.9298165E-04 2.5213488E-03 7.1272428E-01 -6.1935528E-01 2.0166835E-01 22 5.1239479E+00 -1.3364864E-04 1.8623640E-03 4.4389852E-01 -5.6784715E-01 1.8280211E-01 23 2.7148896E+00 6.9765898E-05 -7.7400051E-04 6.2958187E-02 3.5992115E-01 -1.4676180E-01 24 1.3988698E+00 -2.8706719E-05 1.8121773E-04 2.3645679E-03 7.9280845E-01 -3.8709498E-01 25 6.9570714E-01 1.1297391E-05 -1.0837911E-04 8.9575776E-04 3.1846995E-01 -2.5940737E-01 26 2.2700324E-01 -3.5625859E-06 3.0209354E-05 -3.3482974E-05 1.2354077E-02 3.7580771E-01 27 1.0307073E-01 1.9455582E-06 -1.7479918E-05 2.2725376E-05 -2.5540871E-03 6.3549496E-01 28 4.4796966E-02 -5.3079256E-07 5.3980064E-06 -8.3849004E-06 5.8320426E-04 2.2357998E-01 2p 3p 4p 5p 1 5.0126771E+06 1.4287018E-07 -6.5560560E-08 2.6881996E-08 -5.3701142E-09 2 7.5288398E+05 1.6851533E-06 -7.7360482E-07 3.1565117E-07 -6.2782227E-08 3 1.6015588E+05 1.4636432E-05 -6.7318666E-06 2.7625696E-06 -5.5209472E-07 4 4.2005870E+04 1.0550184E-04 -4.8552627E-05 1.9827637E-05 -3.9452944E-06 5 1.2991111E+04 6.2458332E-04 -2.8814649E-04 1.1824603E-04 -2.3621202E-05 6 4.6106469E+03 3.0339185E-03 -1.4042603E-03 5.7432058E-04 -1.1433707E-04 7 1.8280226E+03 1.2218355E-02 -5.7046200E-03 2.3457952E-03 -4.6866397E-04 8 7.8913992E+02 4.1062089E-02 -1.9492309E-02 8.0101859E-03 -1.5957283E-03 9 3.6362556E+02 1.1277271E-01 -5.5326795E-02 2.2973214E-02 -4.5967631E-03 10 1.7595191E+02 2.3870354E-01 -1.2280074E-01 5.1215478E-02 -1.0217397E-02 11 8.8206260E+01 3.5167210E-01 -1.9190293E-01 8.1744781E-02 -1.6442021E-02 12 4.5320837E+01 2.9476556E-01 -1.3015138E-01 5.0334928E-02 -9.8140149E-03 13 2.3361874E+01 1.0462660E-01 1.8269043E-01 -1.0585030E-01 2.1761001E-02 14 1.2035091E+01 8.5078446E-03 5.0920993E-01 -3.1729609E-01 6.7800557E-02 15 6.2746108E+00 8.4674934E-05 3.7936910E-01 -2.2779507E-01 4.5729427E-02 16 3.1249486E+00 -1.1593793E-03 7.5322262E-02 3.2393950E-01 -8.3947730E-02 17 1.5220137E+00 -5.6156738E-04 1.7941115E-03 5.9402593E-01 -1.6221019E-01 18 7.0335611E-01 -7.6017959E-04 1.0663264E-03 2.8857674E-01 -7.7294548E-02 19 2.4523334E-01 -6.4801422E-04 -1.2740808E-04 2.2779781E-02 2.4257668E-01 20 9.3797278E-02 -3.2280390E-04 9.6723881E-05 -1.9791703E-03 5.6695582E-01 21 3.4854707E-02 -5.8495980E-04 1.5067690E-05 6.5212718E-04 3.4852533E-01 3d 4d 1 5.5359909E+03 3.9846646E-05 -1.4123323E-05 2 1.4998106E+03 4.7489739E-04 -1.6921373E-04 3 5.5192905E+02 3.1980039E-03 -1.1393934E-03 4 2.3701009E+02 1.5092891E-02 -5.4185831E-03 5 1.1152551E+02 5.2213369E-02 -1.8861051E-02 6 5.5586452E+01 1.3632911E-01 -5.0120985E-02 7 2.8785214E+01 2.5835034E-01 -9.4346484E-02 8 1.5156364E+01 3.4473374E-01 -1.2078854E-01 9 8.0839190E+00 2.8758601E-01 -6.7396622E-02 10 4.2862034E+00 1.1829866E-01 1.3032178E-01 11 2.2133167E+00 1.8014854E-02 3.3818267E-01 12 1.1038262E+00 8.2809252E-04 3.8798526E-01 13 5.3020624E-01 5.9960883E-06 2.6460022E-01 14 2.3976347E-01 -1.8553732E-05 8.9303972E-02 15 8.8661618E-02 -1.7772342E-05 6.3198515E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.8828511E+07 5.3959246E-05 -1.8693642E-05 8.2290681E-06 -3.5374833E-06 9.8519698E-07 2 2.0132218E+07 1.3109987E-04 -4.5439697E-05 1.9980574E-05 -8.5766416E-06 2.3833357E-06 3 6.4431973E+06 2.6982375E-04 -9.3662519E-05 4.1266952E-05 -1.7751068E-05 4.9487022E-06 4 2.2530565E+06 5.2432748E-04 -1.8207216E-04 8.0073337E-05 -3.4352822E-05 9.5392226E-06 5 8.4579103E+05 1.0013883E-03 -3.4860221E-04 1.5377693E-04 -6.6168826E-05 1.8458712E-05 6 3.3428916E+05 1.9061201E-03 -6.6400922E-04 2.9236111E-04 -1.2540014E-04 3.4812102E-05 7 1.3837094E+05 3.6800165E-03 -1.2865486E-03 5.6841759E-04 -2.4460720E-04 6.8252063E-05 8 5.9633004E+04 7.2731863E-03 -2.5496654E-03 1.1247615E-03 -4.8256553E-04 1.3398383E-04 9 2.6659986E+04 1.4728643E-02 -5.2065521E-03 2.3042623E-03 -9.9167168E-04 2.7670577E-04 10 1.2319769E+04 3.0143296E-02 -1.0791983E-02 4.7767523E-03 -2.0516794E-03 5.6994454E-04 11 5.8661124E+03 6.0718243E-02 -2.2327113E-02 9.9305818E-03 -4.2772161E-03 1.1932306E-03 12 2.8696677E+03 1.1586484E-01 -4.4632658E-02 1.9964391E-02 -8.5912782E-03 2.3872672E-03 13 1.4384857E+03 1.9821533E-01 -8.3413982E-02 3.7836799E-02 -1.6369345E-02 4.5715093E-03 14 7.3712296E+02 2.7847916E-01 -1.3665784E-01 6.3486993E-02 -2.7525597E-02 7.6526833E-03 15 3.8501138E+02 2.7619830E-01 -1.7309920E-01 8.3837944E-02 -3.6800102E-02 1.0325371E-02 16 2.0367818E+02 1.5161626E-01 -9.8054333E-02 4.9498845E-02 -2.1723072E-02 5.9781231E-03 17 1.0591992E+02 2.9072130E-02 1.9201570E-01 -1.2370111E-01 5.6950650E-02 -1.5848228E-02 18 5.7391516E+01 -1.5206386E-04 4.9842948E-01 -4.1428453E-01 2.0443901E-01 -5.8715492E-02 19 3.1199772E+01 6.0808072E-04 3.9334563E-01 -4.3464849E-01 2.2450570E-01 -6.3726986E-02 20 1.6631752E+01 -4.1361236E-04 9.6222758E-02 1.2092775E-01 -6.8172886E-02 1.7632012E-02 21 9.2480314E+00 1.8514386E-04 2.4658389E-03 7.1296154E-01 -6.2006990E-01 2.0193016E-01 22 5.1239479E+00 -1.3611977E-04 1.8418714E-03 4.4347121E-01 -5.6767403E-01 1.8274112E-01 23 2.7148896E+00 6.7579363E-05 -7.6636304E-04 6.2869219E-02 3.6015808E-01 -1.4686725E-01 24 1.3988698E+00 -2.9364931E-05 1.7316351E-04 2.3537732E-03 7.9277408E-01 -3.8712558E-01 25 6.9570714E-01 1.1055353E-05 -1.0501822E-04 8.9517207E-04 3.1841472E-01 -2.5939262E-01 26 2.2700324E-01 -3.6868458E-06 2.7526298E-05 -3.3747730E-05 1.2350630E-02 3.7581984E-01 27 1.0307073E-01 1.9506384E-06 -1.5335308E-05 2.2711060E-05 -2.5558032E-03 6.3549144E-01 28 4.4796966E-02 -5.8450719E-07 4.3470707E-06 -8.5214240E-06 5.8388114E-04 2.2357791E-01 2p 3p 4p 5p 1 5.0126771E+06 9.1786079E-06 -4.1821648E-06 1.7119011E-06 -3.4183658E-07 2 7.5288398E+05 3.1855964E-05 -1.4508460E-05 5.9177533E-06 -1.1770250E-06 3 1.6015588E+05 1.0288532E-04 -4.7041191E-05 1.9279530E-05 -3.8527202E-06 4 4.2005870E+04 3.3182408E-04 -1.5198796E-04 6.2035953E-05 -1.2338973E-05 5 1.2991111E+04 1.1412892E-03 -5.2560605E-04 2.1566088E-04 -4.3093477E-05 6 4.6106469E+03 4.0995067E-03 -1.8971431E-03 7.7589492E-04 -1.5443297E-04 7 1.8280226E+03 1.4213996E-02 -6.6447821E-03 2.7332774E-03 -5.4616702E-04 8 7.8913992E+02 4.4340120E-02 -2.1088126E-02 8.6691036E-03 -1.7269733E-03 9 3.6362556E+02 1.1719759E-01 -5.7620159E-02 2.3935202E-02 -4.7896431E-03 10 1.7595191E+02 2.4310761E-01 -1.2531236E-01 5.2282566E-02 -1.0430621E-02 11 8.8206260E+01 3.5435882E-01 -1.9366319E-01 8.2519430E-02 -1.6598804E-02 12 4.5320837E+01 2.9559631E-01 -1.3036314E-01 5.0372090E-02 -9.8188720E-03 13 2.3361874E+01 1.0535324E-01 1.8332245E-01 -1.0628104E-01 2.1851129E-02 14 1.2035091E+01 9.4378894E-03 5.0944605E-01 -3.1764760E-01 6.7881866E-02 15 6.2746108E+00 9.4818719E-04 3.7908738E-01 -2.2766152E-01 4.5697353E-02 16 3.1249486E+00 -3.5950647E-04 7.5191961E-02 3.2418573E-01 -8.4010378E-02 17 1.5220137E+00 8.2159290E-05 1.7412001E-03 5.9410301E-01 -1.6223663E-01 18 7.0335611E-01 -7.2750725E-05 1.0206634E-03 2.8863087E-01 -7.7303684E-02 19 2.4523334E-01 1.8387620E-05 -1.7477275E-04 2.2856188E-02 2.4257221E-01 20 9.3797278E-02 -8.8863042E-06 7.6105229E-05 -1.9414412E-03 5.6695221E-01 21 3.4854707E-02 2.8421694E-06 -2.6046048E-05 7.2263061E-04 3.4851474E-01 3d 4d 1 5.5359909E+03 6.2811519E-05 -2.2263218E-05 2 1.4998106E+03 5.5859686E-04 -1.9902303E-04 3 5.5192905E+02 3.4379618E-03 -1.2251664E-03 4 2.3701009E+02 1.5625837E-02 -5.6111650E-03 5 1.1152551E+02 5.3115362E-02 -1.9192042E-02 6 5.5586452E+01 1.3747308E-01 -5.0554143E-02 7 2.8785214E+01 2.5936952E-01 -9.4731205E-02 8 1.5156364E+01 3.4533937E-01 -1.2100997E-01 9 8.0839190E+00 2.8777783E-01 -6.7408331E-02 10 4.2862034E+00 1.1837192E-01 1.3043343E-01 11 2.2133167E+00 1.8086626E-02 3.3826410E-01 12 1.1038262E+00 8.8055987E-04 3.8801796E-01 13 5.3020624E-01 3.8570196E-05 2.6460849E-01 14 2.3976347E-01 1.0516226E-06 8.9308335E-02 15 8.8661618E-02 -2.9368752E-06 6.3247257E-03 ** Sn 120 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.7453440E+07 2.0736843E-05 -7.1209853E-06 3.1452738E-06 -1.3683865E-06 4.1137318E-07 2 1.9906794E+07 5.3599059E-05 -1.8440007E-05 8.1469165E-06 -3.5443322E-06 1.0653399E-06 3 6.4265151E+06 1.2170209E-04 -4.1963946E-05 1.8545988E-05 -8.0699194E-06 2.4263130E-06 4 2.2676765E+06 2.6191810E-04 -9.0599491E-05 4.0058330E-05 -1.7429367E-05 5.2383978E-06 5 8.5872426E+05 5.6400371E-04 -1.9588772E-04 8.6662164E-05 -3.7719509E-05 1.1342877E-05 6 3.4193439E+05 1.2169606E-03 -4.2465174E-04 1.8799087E-04 -8.1809073E-05 2.4584329E-05 7 1.4242117E+05 2.6500740E-03 -9.3004330E-04 4.1206718E-04 -1.7942206E-04 5.3970342E-05 8 6.1687109E+04 5.8022197E-03 -2.0492340E-03 9.0873807E-04 -3.9555420E-04 1.1884293E-04 9 2.7687916E+04 1.2672471E-02 -4.5171393E-03 2.0058627E-03 -8.7390201E-04 2.6297376E-04 10 1.2835562E+04 2.7253880E-02 -9.8466648E-03 4.3809552E-03 -1.9079377E-03 5.7309996E-04 11 6.1281590E+03 5.6599456E-02 -2.0968621E-02 9.3643425E-03 -4.0852417E-03 1.2300950E-03 12 3.0049367E+03 1.1020149E-01 -4.2689162E-02 1.9191297E-02 -8.3739099E-03 2.5149961E-03 13 1.5094238E+03 1.9145681E-01 -8.0741867E-02 3.6772466E-02 -1.6111585E-02 4.8583243E-03 14 7.7488685E+02 2.7288847E-01 -1.3359854E-01 6.2299169E-02 -2.7375545E-02 8.2234042E-03 15 4.0540783E+02 2.7530793E-01 -1.7097779E-01 8.3049399E-02 -3.6916561E-02 1.1187672E-02 16 2.1482495E+02 1.5492169E-01 -1.0012444E-01 5.0592651E-02 -2.2513847E-02 6.6964177E-03 17 1.1207568E+02 3.1154839E-02 1.8346930E-01 -1.1904724E-01 5.5628731E-02 -1.6721885E-02 18 6.0874379E+01 1.2002698E-04 4.9214875E-01 -4.0889958E-01 2.0446589E-01 -6.3514493E-02 19 3.3189024E+01 6.6696300E-04 3.9900142E-01 -4.4146979E-01 2.3158040E-01 -7.1100914E-02 20 1.7795138E+01 -4.1010358E-04 1.0194500E-01 1.0008447E-01 -5.6872563E-02 1.5323395E-02 21 9.9322519E+00 2.0147759E-04 3.1570535E-03 7.0713031E-01 -6.2032479E-01 2.1946250E-01 22 5.5310839E+00 -1.4264824E-04 1.8950880E-03 4.5811276E-01 -5.9267490E-01 2.0727139E-01 23 2.9689790E+00 7.6161524E-05 -7.9513583E-04 7.0053481E-02 3.3156470E-01 -1.4637229E-01 24 1.5424123E+00 -3.2272929E-05 1.8336481E-04 2.9590998E-03 8.0535036E-01 -4.3246829E-01 25 7.8022235E-01 1.3274402E-05 -1.1477424E-04 8.9734602E-04 3.3678222E-01 -3.0000429E-01 26 2.7401601E-01 -4.4094593E-06 3.2442353E-05 -3.7578127E-05 1.4339976E-02 4.0663930E-01 27 1.2641210E-01 2.2956722E-06 -1.6398965E-05 1.3067454E-05 -2.4319541E-03 6.5033495E-01 28 5.5350026E-02 -6.2174528E-07 4.6134001E-06 -7.9618512E-06 5.7386019E-04 2.1216080E-01 2p 3p 4p 5p 1 5.6198038E+06 9.1189282E-06 -4.2034713E-06 1.7501235E-06 -4.0649156E-07 2 8.5052658E+05 3.0671930E-05 -1.4143098E-05 5.8873828E-06 -1.3669477E-06 3 1.8127578E+05 9.4051381E-05 -4.3411265E-05 1.8085204E-05 -4.2028274E-06 4 4.7466619E+04 2.9384823E-04 -1.3589595E-04 5.6567575E-05 -1.3123846E-05 5 1.4609933E+04 1.0047457E-03 -4.6633528E-04 1.9461948E-04 -4.5281596E-05 6 5.1526078E+03 3.6395172E-03 -1.6971850E-03 7.0713809E-04 -1.6395034E-04 7 2.0306250E+03 1.2787517E-02 -6.0156141E-03 2.5180043E-03 -5.8641248E-04 8 8.7220072E+02 4.0553704E-02 -1.9388633E-02 8.1146256E-03 -1.8819112E-03 9 4.0027255E+02 1.0932547E-01 -5.3941400E-02 2.2796611E-02 -5.3189830E-03 10 1.9310673E+02 2.3235166E-01 -1.2007777E-01 5.0989492E-02 -1.1838833E-02 11 9.6590891E+01 3.4980266E-01 -1.9170440E-01 8.3081754E-02 -1.9507400E-02 12 4.9579132E+01 3.0581071E-01 -1.4274600E-01 5.7436274E-02 -1.3021662E-02 13 2.5594137E+01 1.1674709E-01 1.5913818E-01 -9.6000370E-02 2.2899440E-02 14 1.3182877E+01 1.1818026E-02 5.0220525E-01 -3.1764216E-01 7.9749490E-02 15 6.8825925E+00 9.4031506E-04 3.9802637E-01 -2.5121242E-01 5.8816961E-02 16 3.4476110E+00 -3.4011302E-04 8.5137204E-02 3.0330782E-01 -9.2260232E-02 17 1.6923965E+00 7.2157816E-05 2.2580042E-03 6.0350607E-01 -1.9879865E-01 18 7.9385513E-01 -7.3881548E-05 1.1116468E-03 3.0009366E-01 -9.1483971E-02 19 2.8502375E-01 1.9720141E-05 -2.1524351E-04 2.4131105E-02 3.0095315E-01 20 1.1393593E-01 -9.4962276E-06 9.0238423E-05 -1.9295036E-03 5.7019990E-01 21 4.3676730E-02 3.0609999E-06 -3.1897567E-05 8.0599131E-04 2.9342204E-01 3d 4d 1 6.2527412E+03 5.3350924E-05 -1.9775124E-05 2 1.6829840E+03 4.8374599E-04 -1.8006274E-04 3 6.1704394E+02 3.0164603E-03 -1.1232231E-03 4 2.6435776E+02 1.3936573E-02 -5.2273911E-03 5 1.2431471E+02 4.8295770E-02 -1.8226067E-02 6 6.1971429E+01 1.2777607E-01 -4.9067401E-02 7 3.2143143E+01 2.4807898E-01 -9.4973591E-02 8 1.6974442E+01 3.4124419E-01 -1.2577596E-01 9 9.0902548E+00 2.9847641E-01 -7.9957586E-02 10 4.8530529E+00 1.3188355E-01 1.1576719E-01 11 2.5309574E+00 2.2522344E-02 3.3616304E-01 12 1.2789815E+00 1.1165283E-03 3.9722128E-01 13 6.2539467E-01 5.9867070E-05 2.6574233E-01 14 2.8842500E-01 -1.1707318E-05 8.3747731E-02 15 1.0993873E-01 -2.5837360E-06 5.9855569E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.7453440E+07 6.7788555E-07 -2.3244486E-07 1.0264790E-07 -4.4661917E-08 1.3430534E-08 2 1.9906794E+07 4.7693024E-06 -1.6351676E-06 7.2206769E-07 -3.1406889E-07 9.4373551E-08 3 6.4265151E+06 1.7834779E-05 -6.1168778E-06 2.7013148E-06 -1.1754070E-06 3.5350795E-07 4 2.2676765E+06 6.0908352E-05 -2.0890059E-05 9.2252111E-06 -4.0123059E-06 1.2054231E-06 5 8.5872426E+05 1.8749798E-04 -6.4354064E-05 2.8422937E-05 -1.2368614E-05 3.7205228E-06 6 3.4193439E+05 5.4729354E-04 -1.8794357E-04 8.3012325E-05 -3.6103299E-05 1.0844873E-05 7 1.4242117E+05 1.5061280E-03 -5.1823697E-04 2.2897223E-04 -9.9654849E-05 2.9982011E-05 8 6.1687109E+04 3.9506396E-03 -1.3631625E-03 6.0251493E-04 -2.6205949E-04 7.8705605E-05 9 2.7687916E+04 9.8507669E-03 -3.4219932E-03 1.5140838E-03 -6.5922180E-04 1.9838682E-04 10 1.2835562E+04 2.3308207E-02 -8.1934510E-03 3.6315148E-03 -1.5802185E-03 4.7451658E-04 11 6.1281590E+03 5.1733340E-02 -1.8638426E-02 8.2917689E-03 -3.6147110E-03 1.0883975E-03 12 3.0049367E+03 1.0539977E-01 -3.9719119E-02 1.7789450E-02 -7.7560575E-03 2.3288953E-03 13 1.5094238E+03 1.8867018E-01 -7.7483653E-02 3.5165482E-02 -1.5397165E-02 4.6426183E-03 14 7.7488685E+02 2.7415060E-01 -1.3090804E-01 6.0855407E-02 -2.6723953E-02 8.0264062E-03 15 4.0540783E+02 2.7984595E-01 -1.6995612E-01 8.2360772E-02 -3.6594265E-02 1.1089285E-02 16 2.1482495E+02 1.5850465E-01 -1.0122666E-01 5.1207726E-02 -2.2794502E-02 6.7818501E-03 17 1.1207568E+02 3.1975230E-02 1.8180064E-01 -1.1737105E-01 5.4786526E-02 -1.6462614E-02 18 6.0874379E+01 1.1560198E-04 4.9250966E-01 -4.0773785E-01 2.0376552E-01 -6.3291657E-02 19 3.3189024E+01 6.8346413E-04 4.0018665E-01 -4.4165140E-01 2.3161996E-01 -7.1110929E-02 20 1.7795138E+01 -4.2016817E-04 1.0235298E-01 9.9426146E-02 -5.6346333E-02 1.5148969E-02 21 9.9322519E+00 2.0705405E-04 3.1427798E-03 7.0724863E-01 -6.1997057E-01 2.1931241E-01 22 5.5310839E+00 -1.4580054E-04 1.9200496E-03 4.5844020E-01 -5.9280632E-01 2.0732109E-01 23 2.9689790E+00 7.7698400E-05 -8.1176059E-04 7.0110161E-02 3.3146815E-01 -1.4630889E-01 24 1.5424123E+00 -3.2824663E-05 1.9343113E-04 2.9592628E-03 8.0541099E-01 -4.3245086E-01 25 7.8022235E-01 1.3418827E-05 -1.2012550E-04 8.9846460E-04 3.3682579E-01 -3.0001462E-01 26 2.7401601E-01 -4.3976019E-06 3.5498581E-05 -3.8073951E-05 1.4341620E-02 4.0663363E-01 27 1.2641210E-01 2.2482244E-06 -1.8840856E-05 1.3459800E-05 -2.4321188E-03 6.5034082E-01 28 5.5350026E-02 -5.8795659E-07 5.7006534E-06 -8.1382290E-06 5.7385206E-04 2.1216216E-01 2p 3p 4p 5p 1 5.6198038E+06 1.3359696E-07 -6.1671016E-08 2.5735035E-08 -5.9947502E-09 2 8.5052658E+05 1.5445331E-06 -7.1341769E-07 2.9637123E-07 -6.8581503E-08 3 1.8127578E+05 1.3204461E-05 -6.1097707E-06 2.5517527E-06 -5.9479997E-07 4 4.7466619E+04 9.4557008E-05 -4.3786176E-05 1.8204565E-05 -4.2149616E-06 5 1.4609933E+04 5.6149475E-04 -2.6060297E-04 1.0884546E-04 -2.5353914E-05 6 5.1526078E+03 2.7498877E-03 -1.2804370E-03 5.3313143E-04 -1.2352948E-04 7 2.0306250E+03 1.1188625E-02 -5.2525204E-03 2.1981532E-03 -5.1203791E-04 8 8.7220072E+02 3.8044588E-02 -1.8147102E-02 7.5909626E-03 -1.7601022E-03 9 4.0027255E+02 1.0607868E-01 -5.2228581E-02 2.2065188E-02 -5.1484128E-03 10 1.9310673E+02 2.2919332E-01 -1.1824249E-01 5.0192994E-02 -1.1652873E-02 11 9.6590891E+01 3.4780935E-01 -1.9041241E-01 8.2510014E-02 -1.9373231E-02 12 4.9579132E+01 3.0493086E-01 -1.4246294E-01 5.7359436E-02 -1.3005805E-02 13 2.5594137E+01 1.1582218E-01 1.5890326E-01 -9.5759241E-02 2.2838263E-02 14 1.3182877E+01 1.0795008E-02 5.0220586E-01 -3.1745523E-01 7.9696757E-02 15 6.8825925E+00 2.7207180E-05 3.9829317E-01 -2.5132918E-01 5.8849052E-02 16 3.4476110E+00 -1.1793176E-03 8.5243040E-02 3.0314059E-01 -9.2207912E-02 17 1.6923965E+00 -6.0417842E-04 2.3088418E-03 6.0344348E-01 -1.9877265E-01 18 7.9385513E-01 -7.8543889E-04 1.1580468E-03 3.0002986E-01 -9.1471087E-02 19 2.8502375E-01 -6.7987724E-04 -1.6640607E-04 2.4047043E-02 3.0096216E-01 20 1.1393593E-01 -3.1511796E-04 1.0992224E-04 -1.9676824E-03 5.7020635E-01 21 4.3676730E-02 -6.4373520E-04 1.2573151E-05 7.2632279E-04 2.9343500E-01 3d 4d 1 6.2527412E+03 3.4404983E-05 -1.2742486E-05 2 1.6829840E+03 4.1535481E-04 -1.5459323E-04 3 6.1704394E+02 2.8275268E-03 -1.0524607E-03 4 2.6435776E+02 1.3533397E-02 -5.0747553E-03 5 1.2431471E+02 4.7629946E-02 -1.7969672E-02 6 6.1971429E+01 1.2694593E-01 -4.8737884E-02 7 3.2143143E+01 2.4733254E-01 -9.4676332E-02 8 1.6974442E+01 3.4077667E-01 -1.2559786E-01 9 9.0902548E+00 2.9829533E-01 -7.9934978E-02 10 4.8530529E+00 1.3178617E-01 1.1569961E-01 11 2.5309574E+00 2.2438011E-02 3.3610771E-01 12 1.2789815E+00 1.0578963E-03 3.9719673E-01 13 6.2539467E-01 2.3000702E-05 2.6573396E-01 14 2.8842500E-01 -3.3675306E-05 8.3741737E-02 15 1.0993873E-01 -2.0138691E-05 5.9793399E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.7453440E+07 5.8801136E-05 -2.0453796E-05 9.0462994E-06 -3.9398627E-06 1.1852033E-06 2 1.9906794E+07 1.4184249E-04 -4.9366412E-05 2.1811158E-05 -9.4872106E-06 2.8476834E-06 3 6.4265151E+06 2.8943010E-04 -1.0088128E-04 4.4655947E-05 -1.9459992E-05 5.8601307E-06 4 2.2676765E+06 5.5750376E-04 -1.9441426E-04 8.5910185E-05 -3.7349944E-05 1.1202251E-05 5 8.5872426E+05 1.0561921E-03 -3.6925291E-04 1.6364967E-04 -7.1336540E-05 2.1496858E-05 6 3.4193439E+05 1.9941772E-03 -6.9781823E-04 3.0871563E-04 -1.3418942E-04 4.0234896E-05 7 1.4242117E+05 3.8174627E-03 -1.3408046E-03 5.9518890E-04 -2.5947528E-04 7.8211108E-05 8 6.1687109E+04 7.4773415E-03 -2.6341133E-03 1.1676365E-03 -5.0767507E-04 1.5223844E-04 9 2.7687916E+04 1.5006106E-02 -5.3310357E-03 2.3707709E-03 -1.0336713E-03 3.1157918E-04 10 1.2835562E+04 3.0452722E-02 -1.0957865E-02 4.8739925E-03 -2.1214671E-03 6.3652117E-04 11 6.1281590E+03 6.0900752E-02 -2.2503425E-02 1.0058112E-02 -4.3891173E-03 1.3227319E-03 12 3.0049367E+03 1.1557497E-01 -4.4723987E-02 2.0103701E-02 -8.7672056E-03 2.6312972E-03 13 1.5094238E+03 1.9706702E-01 -8.3225309E-02 3.7934362E-02 -1.6627845E-02 5.0166267E-03 14 7.7488685E+02 2.7678729E-01 -1.3604661E-01 6.3500779E-02 -2.7903550E-02 8.3796201E-03 15 4.0540783E+02 2.7583481E-01 -1.7248663E-01 8.3898846E-02 -3.7308654E-02 1.1310492E-02 16 2.1482495E+02 1.5342739E-01 -9.9656761E-02 5.0500543E-02 -2.2481704E-02 6.6832704E-03 17 1.1207568E+02 3.0294504E-02 1.8535796E-01 -1.2010956E-01 5.6115739E-02 -1.6865407E-02 18 6.0874379E+01 -8.6768251E-05 4.9342905E-01 -4.1020469E-01 2.0514476E-01 -6.3729905E-02 19 3.3189024E+01 6.3015854E-04 3.9874640E-01 -4.4158929E-01 2.3169281E-01 -7.1133840E-02 20 1.7795138E+01 -4.3232574E-04 1.0166374E-01 1.0070406E-01 -5.7172817E-02 1.5408126E-02 21 9.9322519E+00 1.9840441E-04 3.0778332E-03 7.0754354E-01 -6.2076600E-01 2.1962873E-01 22 5.5310839E+00 -1.4837810E-04 1.8981797E-03 4.5798068E-01 -5.9263579E-01 2.0725623E-01 23 2.9689790E+00 7.5352112E-05 -8.0410429E-04 7.0007975E-02 3.3173664E-01 -1.4643614E-01 24 1.5424123E+00 -3.3574829E-05 1.8487723E-04 2.9459620E-03 8.0538210E-01 -4.3249508E-01 25 7.8022235E-01 1.3181092E-05 -1.1642836E-04 8.9803466E-04 3.3676076E-01 -2.9999536E-01 26 2.7401601E-01 -4.5710424E-06 3.2558591E-05 -3.8653691E-05 1.4337270E-02 4.0664938E-01 27 1.2641210E-01 2.2770534E-06 -1.6652142E-05 1.3663628E-05 -2.4342434E-03 6.5033581E-01 28 5.5350026E-02 -6.6017255E-07 4.6572897E-06 -8.4040769E-06 5.7470032E-04 2.1215947E-01 2p 3p 4p 5p 1 5.6198038E+06 9.0127329E-06 -4.1302918E-06 1.7204513E-06 -4.0052734E-07 2 8.5052658E+05 3.1177210E-05 -1.4285716E-05 5.9330082E-06 -1.3731101E-06 3 1.8127578E+05 9.9917603E-05 -4.5944583E-05 1.9160121E-05 -4.4654669E-06 4 4.7466619E+04 3.1792030E-04 -1.4650261E-04 6.0886194E-05 -1.4090385E-05 5 1.4609933E+04 1.0746929E-03 -4.9779799E-04 2.0785360E-04 -4.8436188E-05 6 5.1526078E+03 3.8141068E-03 -1.7755336E-03 7.3930547E-04 -1.7124417E-04 7 2.0306250E+03 1.3194224E-02 -6.2017860E-03 2.5961900E-03 -6.0489628E-04 8 8.7220072E+02 4.1372844E-02 -1.9773067E-02 8.2743678E-03 -1.9184891E-03 9 4.0027255E+02 1.1064697E-01 -5.4599167E-02 2.3076552E-02 -5.3849675E-03 10 1.9310673E+02 2.3385917E-01 -1.2090061E-01 5.1342034E-02 -1.1919972E-02 11 9.6590891E+01 3.5077801E-01 -1.9235378E-01 8.3378871E-02 -1.9578756E-02 12 4.9579132E+01 3.0587113E-01 -1.4278691E-01 5.7451194E-02 -1.3023398E-02 13 2.5594137E+01 1.1655366E-01 1.5956721E-01 -9.6218275E-02 2.2949689E-02 14 1.3182877E+01 1.1766705E-02 5.0250381E-01 -3.1786131E-01 7.9807374E-02 15 6.8825925E+00 9.3426627E-04 3.9800115E-01 -2.5120592E-01 5.8813320E-02 16 3.4476110E+00 -3.4084896E-04 8.5095781E-02 3.0341583E-01 -9.2289475E-02 17 1.6923965E+00 7.1957361E-05 2.2532831E-03 6.0353113E-01 -1.9881003E-01 18 7.9385513E-01 -7.3967177E-05 1.1114671E-03 3.0008445E-01 -9.1480620E-02 19 2.8502375E-01 1.9695187E-05 -2.1540259E-04 2.4128974E-02 3.0095824E-01 20 1.1393593E-01 -9.4928428E-06 9.0321595E-05 -1.9298896E-03 5.7020138E-01 21 4.3676730E-02 3.0596384E-06 -3.1945750E-05 8.0612449E-04 2.9342160E-01 3d 4d 1 6.2527412E+03 5.6489309E-05 -2.0924144E-05 2 1.6829840E+03 4.9663299E-04 -1.8481894E-04 3 6.1704394E+02 3.0623166E-03 -1.1401419E-03 4 2.6435776E+02 1.4063349E-02 -5.2747124E-03 5 1.2431471E+02 4.8546392E-02 -1.8320722E-02 6 6.1971429E+01 1.2814056E-01 -4.9210065E-02 7 3.2143143E+01 2.4843562E-01 -9.5113296E-02 8 1.6974442E+01 3.4146052E-01 -1.2586101E-01 9 9.0902548E+00 2.9852421E-01 -7.9964630E-02 10 4.8530529E+00 1.3186397E-01 1.1582288E-01 11 2.5309574E+00 2.2515052E-02 3.3620419E-01 12 1.2789815E+00 1.1155635E-03 3.9723552E-01 13 6.2539467E-01 5.9890438E-05 2.6574253E-01 14 2.8842500E-01 -1.1752465E-05 8.3746666E-02 15 1.0993873E-01 -2.5751136E-06 5.9854049E-03 ** Sb 121 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.7533938E+07 2.2406982E-05 -7.7245513E-06 3.4272452E-06 -1.5100109E-06 4.8083961E-07 2 2.0028596E+07 5.7479546E-05 -1.9853218E-05 8.8109220E-06 -3.8819345E-06 1.2359182E-06 3 6.5134066E+06 1.2924577E-04 -4.4742195E-05 1.9863223E-05 -8.7529723E-06 2.7875992E-06 4 2.3164182E+06 2.7517398E-04 -9.5570264E-05 4.2447932E-05 -1.8703936E-05 5.9543450E-06 5 8.8393093E+05 5.8643927E-04 -2.0451416E-04 9.0889467E-05 -4.0062694E-05 1.2761487E-05 6 3.5436060E+05 1.2516428E-03 -4.3860483E-04 1.9505606E-04 -8.5963805E-05 2.7362203E-05 7 1.4849644E+05 2.6961137E-03 -9.5030325E-04 4.2297215E-04 -1.8651578E-04 5.9430531E-05 8 6.4657964E+04 5.8426245E-03 -2.0728595E-03 9.2346988E-04 -4.0708658E-04 1.2954596E-04 9 2.9151222E+04 1.2644903E-02 -4.5278951E-03 2.0199294E-03 -8.9125318E-04 2.8410613E-04 10 1.3564228E+04 2.6987410E-02 -9.7951509E-03 4.3783398E-03 -1.9311050E-03 6.1437003E-04 11 6.4961782E+03 5.5720352E-02 -2.0727946E-02 9.2992799E-03 -4.1086365E-03 1.3105972E-03 12 3.1938044E+03 1.0810929E-01 -4.2014088E-02 1.8973291E-02 -8.3842450E-03 2.6669536E-03 13 1.6079949E+03 1.8782046E-01 -7.9277688E-02 3.6257415E-02 -1.6088299E-02 5.1397884E-03 14 8.2718466E+02 2.6928195E-01 -1.3142875E-01 6.1516606E-02 -2.7373696E-02 8.7083842E-03 15 4.3354714E+02 2.7618841E-01 -1.6997253E-01 8.2788698E-02 -3.7264400E-02 1.1967316E-02 16 2.3008505E+02 1.6068237E-01 -1.0584681E-01 5.3699429E-02 -2.4206982E-02 7.6262346E-03 17 1.2049001E+02 3.4397877E-02 1.6683166E-01 -1.0854505E-01 5.1326781E-02 -1.6307756E-02 18 6.5588098E+01 3.0732117E-04 4.8254228E-01 -3.9746974E-01 2.0107917E-01 -6.6265240E-02 19 3.5855337E+01 7.3045765E-04 4.1177306E-01 -4.5456163E-01 2.4143777E-01 -7.8542793E-02 20 1.9363996E+01 -4.4517434E-04 1.1346569E-01 6.0276743E-02 -3.2984469E-02 7.9049266E-03 21 1.0801226E+01 2.2379024E-04 4.6685373E-03 6.9696510E-01 -6.1020730E-01 2.2951997E-01 22 6.0310872E+00 -1.6038300E-04 1.9061386E-03 4.8542450E-01 -6.3125451E-01 2.3536174E-01 23 3.2551480E+00 8.6863690E-05 -8.0119180E-04 8.0932649E-02 2.9289425E-01 -1.3734072E-01 24 1.7008498E+00 -3.8056089E-05 1.8359045E-04 3.3845640E-03 8.2166790E-01 -4.7421172E-01 25 8.7089572E-01 1.6175080E-05 -1.2265076E-04 9.8329672E-04 3.5638845E-01 -3.3747677E-01 26 3.2329036E-01 -5.5608100E-06 3.6619395E-05 -7.0727501E-05 1.6514272E-02 4.2800209E-01 27 1.5048811E-01 2.7405577E-06 -1.6959202E-05 1.4398343E-05 -2.2667904E-03 6.6567336E-01 28 6.6102095E-02 -7.2349911E-07 4.7872767E-06 -1.1240507E-05 5.7399397E-04 2.0574553E-01 2p 3p 4p 5p 1 6.2630960E+06 9.0300102E-06 -4.1867141E-06 1.7728642E-06 -4.5643912E-07 2 9.5460433E+05 3.0276778E-05 -1.4042162E-05 5.9452096E-06 -1.5300831E-06 3 2.0386969E+05 9.2040506E-05 -4.2727926E-05 1.8102958E-05 -4.6633412E-06 4 5.3313262E+04 2.8307641E-04 -1.3166943E-04 5.5748625E-05 -1.4336240E-05 5 1.6340329E+04 9.5004674E-04 -4.4345172E-04 1.8819934E-04 -4.8541811E-05 6 5.7296924E+03 3.4001235E-03 -1.5946632E-03 6.7586429E-04 -1.7367716E-04 7 2.2453369E+03 1.1916928E-02 -5.6362361E-03 2.3990131E-03 -6.1941707E-04 8 9.5983408E+02 3.7968447E-02 -1.8240764E-02 7.7650213E-03 -1.9958994E-03 9 4.3878385E+02 1.0346443E-01 -5.1238002E-02 2.2014385E-02 -5.6951400E-03 10 2.1107446E+02 2.2370675E-01 -1.1595704E-01 5.0079469E-02 -1.2887973E-02 11 1.0535601E+02 3.4564417E-01 -1.8999601E-01 8.3689922E-02 -2.1793064E-02 12 5.4026900E+01 3.1460005E-01 -1.5331925E-01 6.3774590E-02 -1.6077998E-02 13 2.7925263E+01 1.2767934E-01 1.3701165E-01 -8.6356197E-02 2.2866794E-02 14 1.4381806E+01 1.4384440E-02 4.9395658E-01 -3.1692269E-01 8.8581932E-02 15 7.5203601E+00 9.1487274E-04 4.1507063E-01 -2.7313839E-01 7.1605061E-02 16 3.7898819E+00 -3.0787051E-04 9.5298960E-02 2.8213357E-01 -9.6732837E-02 17 1.8751507E+00 5.6265278E-05 2.9036811E-03 6.1146799E-01 -2.2838798E-01 18 8.9297270E-01 -7.2977784E-05 1.1993672E-03 3.1153842E-01 -1.0642379E-01 19 3.3449900E-01 2.0018069E-05 -2.5328036E-04 2.6221881E-02 3.3411988E-01 20 1.3654450E-01 -9.2015218E-06 9.7871983E-05 -1.5944793E-03 5.7127041E-01 21 5.3022554E-02 3.0361008E-06 -3.6385588E-05 8.3866709E-04 2.6770169E-01 3d 4d 1 7.0531565E+03 4.7903907E-05 -1.8447810E-05 2 1.8861674E+03 4.2984167E-04 -1.6616388E-04 3 6.8887216E+02 2.6858053E-03 -1.0389006E-03 4 2.9438837E+02 1.2534251E-02 -4.8821670E-03 5 1.3831046E+02 4.4106413E-02 -1.7285813E-02 6 6.8944317E+01 1.1893976E-01 -4.7414865E-02 7 3.5803763E+01 2.3712608E-01 -9.4572666E-02 8 1.8958002E+01 3.3636022E-01 -1.2957574E-01 9 1.0188957E+01 3.0806507E-01 -9.1875493E-02 10 5.4737076E+00 1.4570904E-01 9.9644418E-02 11 2.8814798E+00 2.7636027E-02 3.3125811E-01 12 1.4738503E+00 1.4650467E-03 4.0534392E-01 13 7.3198448E-01 7.8891273E-05 2.6951593E-01 14 3.4329747E-01 -2.4754482E-05 8.2195768E-02 15 1.3492964E-01 -2.7604527E-06 6.2338711E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.7533938E+07 7.1746815E-07 -2.4696806E-07 1.0955185E-07 -4.8271477E-08 1.5376175E-08 2 2.0028596E+07 5.0170228E-06 -1.7268017E-06 7.6597242E-07 -3.3739926E-07 1.0738593E-07 3 6.5134066E+06 1.8531442E-05 -6.3803979E-06 2.8303598E-06 -1.2472108E-06 3.9733811E-07 4 2.3164182E+06 6.2615136E-05 -2.1559573E-05 9.5638828E-06 -4.2124478E-06 1.3404407E-06 5 8.8393093E+05 1.9074314E-04 -6.5721929E-05 2.9157616E-05 -1.2849643E-05 4.0944227E-06 6 3.5436060E+05 5.5187848E-04 -1.9026555E-04 8.4418141E-05 -3.7181081E-05 1.1829298E-05 7 1.4849644E+05 1.5063522E-03 -5.2033095E-04 2.3093174E-04 -1.0178601E-04 3.2439753E-05 8 6.4657964E+04 3.9242231E-03 -1.3593879E-03 6.0356930E-04 -2.6585283E-04 8.4566523E-05 9 2.9151222E+04 9.7285340E-03 -3.3923740E-03 1.5077217E-03 -6.6480402E-04 2.1193962E-04 10 1.3564228E+04 2.2913458E-02 -8.0843771E-03 3.5993498E-03 -1.5861191E-03 5.0444366E-04 11 6.4961782E+03 5.0688132E-02 -1.8318410E-02 8.1854313E-03 -3.6137615E-03 1.1527271E-03 12 3.1938044E+03 1.0310927E-01 -3.8939418E-02 1.7516265E-02 -7.7338829E-03 2.4594461E-03 13 1.6079949E+03 1.8483315E-01 -7.5890424E-02 3.4581495E-02 -1.5333763E-02 4.8984324E-03 14 8.2718466E+02 2.7043115E-01 -1.2859530E-01 5.9994369E-02 -2.6678094E-02 8.4855970E-03 15 4.3354714E+02 2.8083670E-01 -1.6883507E-01 8.2031270E-02 -3.6905929E-02 1.1851370E-02 16 2.3008505E+02 1.6452887E-01 -1.0692575E-01 5.4290213E-02 -2.4479050E-02 7.7140021E-03 17 1.2049001E+02 3.5341453E-02 1.6505842E-01 -1.0681155E-01 5.0447265E-02 -1.6020921E-02 18 6.5588098E+01 3.0844901E-04 4.8280782E-01 -3.9618671E-01 2.0030332E-01 -6.6003562E-02 19 3.5855337E+01 7.4898245E-04 4.1303076E-01 -4.5469204E-01 2.4143838E-01 -7.8539880E-02 20 1.9363996E+01 -4.5641677E-04 1.1393252E-01 5.9566378E-02 -3.2428317E-02 7.7102643E-03 21 1.0801226E+01 2.2998269E-04 4.6646586E-03 6.9703860E-01 -6.0979106E-01 2.2933477E-01 22 6.0310872E+00 -1.6388940E-04 1.9285521E-03 4.8579213E-01 -6.3138747E-01 2.3541314E-01 23 3.2551480E+00 8.8554921E-05 -8.1614272E-04 8.0997998E-02 2.9277870E-01 -1.3726345E-01 24 1.7008498E+00 -3.8639985E-05 1.9266898E-04 3.3876855E-03 8.2172965E-01 -4.7418671E-01 25 8.7089572E-01 1.6307433E-05 -1.2762830E-04 9.8309804E-04 3.5644059E-01 -3.3749042E-01 26 3.2329036E-01 -5.5199105E-06 3.9449785E-05 -7.0437162E-05 1.6515894E-02 4.2799568E-01 27 1.5048811E-01 2.6613982E-06 -1.9099988E-05 1.4152374E-05 -2.2665662E-03 6.6568061E-01 28 6.6102095E-02 -6.7380937E-07 5.7100204E-06 -1.1133148E-05 5.7381335E-04 2.0574731E-01 2p 3p 4p 5p 1 6.2630960E+06 1.2593852E-07 -5.8468779E-08 2.4809442E-08 -6.4073202E-09 2 9.5460433E+05 1.4290274E-06 -6.6398101E-07 2.8061307E-07 -7.1958262E-08 3 2.0386969E+05 1.2029488E-05 -5.5982193E-06 2.3774827E-06 -6.1448532E-07 4 5.3313262E+04 8.5520707E-05 -3.9839055E-05 1.6849753E-05 -4.3232054E-06 5 1.6340329E+04 5.0875497E-04 -2.3749568E-04 1.0087158E-04 -2.6052108E-05 6 5.7296924E+03 2.5091029E-03 -1.1751137E-03 4.9771251E-04 -1.2780483E-04 7 2.2453369E+03 1.0303501E-02 -4.8627983E-03 2.0693565E-03 -5.3444373E-04 8 9.5983408E+02 3.5410499E-02 -1.6971203E-02 7.2205667E-03 -1.8555118E-03 9 4.3878385E+02 1.0010360E-01 -4.9462877E-02 2.1243797E-02 -5.4959091E-03 10 2.1107446E+02 2.2036478E-01 -1.1401641E-01 4.9223330E-02 -1.2666357E-02 11 1.0535601E+02 3.4346690E-01 -1.8858105E-01 8.3052521E-02 -2.1627141E-02 12 5.4026900E+01 3.1364887E-01 -1.5296497E-01 6.3662259E-02 -1.6051323E-02 13 2.7925263E+01 1.2673310E-01 1.3676459E-01 -8.6100077E-02 2.2794461E-02 14 1.4381806E+01 1.3312673E-02 4.9393031E-01 -3.1670400E-01 8.8513471E-02 15 7.5203601E+00 -4.4794371E-05 4.1535386E-01 -2.7325351E-01 7.1640140E-02 16 3.7898819E+00 -1.1834325E-03 9.5416526E-02 2.8194834E-01 -9.6667889E-02 17 1.8751507E+00 -6.5714161E-04 2.9569238E-03 6.1139858E-01 -2.2835472E-01 18 8.9297270E-01 -7.9960440E-04 1.2458845E-03 3.1147451E-01 -1.0640987E-01 19 3.3449900E-01 -7.0843920E-04 -2.0317495E-04 2.6132309E-02 3.3412973E-01 20 1.3654450E-01 -3.3075437E-04 1.1822205E-04 -1.6357416E-03 5.7127840E-01 21 5.3022554E-02 -6.9661534E-04 1.0926564E-05 7.5012885E-04 2.6771713E-01 3d 4d 1 7.0531565E+03 2.9722944E-05 -1.1437978E-05 2 1.8861674E+03 3.6336927E-04 -1.4045363E-04 3 6.8887216E+02 2.5005181E-03 -9.6683569E-04 4 2.9438837E+02 1.2132397E-02 -4.7241991E-03 5 1.3831046E+02 4.3429330E-02 -1.7015242E-02 6 6.8944317E+01 1.1807297E-01 -4.7057736E-02 7 3.5803763E+01 2.3632205E-01 -9.4238873E-02 8 1.8958002E+01 3.3583788E-01 -1.2936702E-01 9 1.0188957E+01 3.0785657E-01 -9.1838984E-02 10 5.4737076E+00 1.4560542E-01 9.9571048E-02 11 2.8814798E+00 2.7544728E-02 3.3119361E-01 12 1.4738503E+00 1.4006887E-03 4.0531556E-01 13 7.3198448E-01 3.7170409E-05 2.6950692E-01 14 3.4329747E-01 -4.9044132E-05 8.2188956E-02 15 1.3492964E-01 -2.3398095E-05 6.2262746E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.7533938E+07 6.3303102E-05 -2.2109003E-05 9.8224201E-06 -4.3319368E-06 1.3803477E-06 2 2.0028596E+07 1.5170749E-04 -5.3017399E-05 2.3532643E-05 -1.0367440E-05 3.2961732E-06 3 6.5134066E+06 3.0710807E-04 -1.0748003E-04 4.7789105E-05 -2.1087085E-05 6.7265967E-06 4 2.3164182E+06 5.8667068E-04 -2.0544898E-04 9.1207340E-05 -4.0164288E-05 1.2758942E-05 5 8.8393093E+05 1.1027357E-03 -3.8715546E-04 1.7234510E-04 -7.6069925E-05 2.4283672E-05 6 3.5436060E+05 2.0643967E-03 -7.2561899E-04 3.2250178E-04 -1.4199204E-04 4.5090470E-05 7 1.4849644E+05 3.9146690E-03 -1.3812254E-03 6.1587541E-04 -2.7187168E-04 8.6815602E-05 8 6.4657964E+04 7.5888897E-03 -2.6862896E-03 1.1963292E-03 -5.2685466E-04 1.6731943E-04 9 2.9151222E+04 1.5072280E-02 -5.3800761E-03 2.4035467E-03 -1.0612203E-03 3.3889952E-04 10 1.3564228E+04 3.0300787E-02 -1.0954581E-02 4.8954343E-03 -2.1581283E-03 6.8575615E-04 11 6.4961782E+03 6.0154693E-02 -2.2319671E-02 1.0021722E-02 -4.4287694E-03 1.4140318E-03 12 3.1938044E+03 1.1364150E-01 -4.4117239E-02 1.9921279E-02 -8.7987483E-03 2.7967190E-03 13 1.6079949E+03 1.9363300E-01 -8.1844976E-02 3.7463131E-02 -1.6630176E-02 5.3159322E-03 14 8.2718466E+02 2.7341903E-01 -1.3398325E-01 6.2772695E-02 -2.7933143E-02 8.8835313E-03 15 4.3354714E+02 2.7688577E-01 -1.7159201E-01 8.3696292E-02 -3.7687340E-02 1.2107819E-02 16 2.3008505E+02 1.5916810E-01 -1.0545410E-01 5.3652431E-02 -2.4195820E-02 7.6185135E-03 17 1.2049001E+02 3.3451160E-02 1.6876669E-01 -1.0961993E-01 5.1823298E-02 -1.6461957E-02 18 6.5588098E+01 7.7476050E-05 4.8395937E-01 -3.9886401E-01 2.0181089E-01 -6.6511817E-02 19 3.5855337E+01 6.8840072E-04 4.1155390E-01 -4.5476395E-01 2.4159915E-01 -7.8593184E-02 20 1.9363996E+01 -4.6884596E-04 1.1315138E-01 6.0920314E-02 -3.3293931E-02 7.9957953E-03 21 1.0801226E+01 2.1968069E-04 4.5806938E-03 6.9743832E-01 -6.1069586E-01 2.2971520E-01 22 6.0310872E+00 -1.6625033E-04 1.9067573E-03 4.8529518E-01 -6.3123651E-01 2.3535370E-01 23 3.2551480E+00 8.5849227E-05 -8.1063699E-04 8.0877878E-02 2.9308729E-01 -1.3741576E-01 24 1.7008498E+00 -3.9384041E-05 1.8503718E-04 3.3699303E-03 8.2170863E-01 -4.7424739E-01 25 8.7089572E-01 1.6026484E-05 -1.2442905E-04 9.8383574E-04 3.5636422E-01 -3.3746604E-01 26 3.2329036E-01 -5.7388718E-06 3.6729579E-05 -7.1941248E-05 1.6510593E-02 4.2801524E-01 27 1.5048811E-01 2.7109839E-06 -1.7238727E-05 1.5031533E-05 -2.2691827E-03 6.6567415E-01 28 6.6102095E-02 -7.6537134E-07 4.8308965E-06 -1.1726805E-05 5.7486215E-04 2.0574395E-01 2p 3p 4p 5p 1 6.2630960E+06 8.8871466E-06 -4.0953189E-06 1.7344702E-06 -4.4765437E-07 2 9.5460433E+05 3.0649838E-05 -1.4126350E-05 5.9687630E-06 -1.5308914E-06 3 2.0386969E+05 9.7536927E-05 -4.5095172E-05 1.9119231E-05 -4.9403150E-06 4 5.3313262E+04 3.0662636E-04 -1.4212451E-04 6.0093946E-05 -1.5411787E-05 5 1.6340329E+04 1.0197343E-03 -4.7496628E-04 2.0164436E-04 -5.2099218E-05 6 5.7296924E+03 3.5742631E-03 -1.6734364E-03 7.0884372E-04 -1.8195630E-04 7 2.2453369E+03 1.2322097E-02 -5.8226113E-03 2.4784787E-03 -6.4026535E-04 8 9.5983408E+02 3.8791007E-02 -1.8628635E-02 7.9291342E-03 -2.0375169E-03 9 4.3878385E+02 1.0481381E-01 -5.1910635E-02 2.2305077E-02 -5.7711553E-03 10 2.1107446E+02 2.2528941E-01 -1.1682030E-01 5.0455637E-02 -1.2983879E-02 11 1.0535601E+02 3.4672109E-01 -1.9070458E-01 8.4018089E-02 -2.1880514E-02 12 5.4026900E+01 3.1471055E-01 -1.5340804E-01 6.3813702E-02 -1.6085991E-02 13 2.7925263E+01 1.2747123E-01 1.3745551E-01 -8.6585538E-02 2.2925237E-02 14 1.4381806E+01 1.4324258E-02 4.9429290E-01 -3.1716744E-01 8.8653879E-02 15 7.5203601E+00 9.0710480E-04 4.1505420E-01 -2.7314393E-01 7.1604164E-02 16 3.7898819E+00 -3.0841702E-04 9.5251061E-02 2.8225389E-01 -9.6768912E-02 17 1.8751507E+00 5.5870805E-05 2.8982437E-03 6.1149874E-01 -2.2840373E-01 18 8.9297270E-01 -7.3010326E-05 1.1989908E-03 3.1152803E-01 -1.0641927E-01 19 3.3449900E-01 1.9965080E-05 -2.5342015E-04 2.6219154E-02 3.3412675E-01 20 1.3654450E-01 -9.1878374E-06 9.7944686E-05 -1.5948909E-03 5.7127193E-01 21 5.3022554E-02 3.0317935E-06 -3.6436849E-05 8.3880496E-04 2.6770114E-01 3d 4d 1 7.0531565E+03 5.0940868E-05 -1.9607205E-05 2 1.8861674E+03 4.4220991E-04 -1.7089166E-04 3 6.8887216E+02 2.7299576E-03 -1.0558407E-03 4 2.9438837E+02 1.2658174E-02 -4.9301452E-03 5 1.3831046E+02 4.4357823E-02 -1.7384396E-02 6 6.8944317E+01 1.1931544E-01 -4.7567261E-02 7 3.5803763E+01 2.3750989E-01 -9.4729561E-02 8 1.8958002E+01 3.3660483E-01 -1.2967556E-01 9 1.0188957E+01 3.0812871E-01 -9.1891020E-02 10 5.4737076E+00 1.4568869E-01 9.9704640E-02 11 2.8814798E+00 2.7626948E-02 3.3130675E-01 12 1.4738503E+00 1.4636832E-03 4.0536150E-01 13 7.3198448E-01 7.8933812E-05 2.6951593E-01 14 3.4329747E-01 -2.4819209E-05 8.2194412E-02 15 1.3492964E-01 -2.7478367E-06 6.2336830E-03 ** Te 130 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.4767224E+07 2.4852706E-05 -8.6014471E-06 3.8328560E-06 -1.7092043E-06 5.6955196E-07 2 1.9406660E+07 6.3359643E-05 -2.1972073E-05 9.7936884E-06 -4.3673294E-06 1.4550523E-06 3 6.3554441E+06 1.4123450E-04 -4.9091993E-05 2.1889314E-05 -9.7628149E-06 3.2536458E-06 4 2.2781786E+06 2.9774839E-04 -1.0384332E-04 4.6324389E-05 -2.0660215E-05 6.8826707E-06 5 8.7653184E+05 6.2848130E-04 -2.2011607E-04 9.8253041E-05 -4.3833958E-05 1.4611499E-05 6 3.5405621E+05 1.3286304E-03 -4.6765038E-04 2.0889293E-04 -9.3183262E-05 3.1038106E-05 7 1.4933752E+05 2.8366837E-03 -1.0044656E-03 4.4906768E-04 -2.0042630E-04 6.6830462E-05 8 6.5377342E+04 6.0940457E-03 -2.1725264E-03 9.7221816E-04 -4.3381035E-04 1.4446424E-04 9 2.9615454E+04 1.3076572E-02 -4.7063180E-03 2.1090300E-03 -9.4186607E-04 3.1419490E-04 10 1.3838547E+04 2.7683401E-02 -1.0101864E-02 4.5361678E-03 -2.0252465E-03 6.7425920E-04 11 6.6522448E+03 5.6732751E-02 -2.1224853E-02 9.5664913E-03 -4.2780942E-03 1.4281108E-03 12 3.2810691E+03 1.0932098E-01 -4.2741481E-02 1.9393676E-02 -8.6758280E-03 2.8879745E-03 13 1.6564941E+03 1.8870909E-01 -8.0156900E-02 3.6838413E-02 -1.6545825E-02 5.5320722E-03 14 8.5416447E+02 2.6887517E-01 -1.3204562E-01 6.2118591E-02 -2.7988708E-02 9.3183162E-03 15 4.4863850E+02 2.7410995E-01 -1.6938557E-01 8.2917667E-02 -3.7780926E-02 1.2700568E-02 16 2.3859571E+02 1.5863831E-01 -1.0324481E-01 5.2531838E-02 -2.3985479E-02 7.9032633E-03 17 1.2528468E+02 3.3892151E-02 1.6992908E-01 -1.1155788E-01 5.3550573E-02 -1.7822676E-02 18 6.8330445E+01 3.3468331E-04 4.8197883E-01 -4.0033476E-01 2.0534937E-01 -7.0909127E-02 19 3.7432590E+01 7.0555276E-04 4.0948240E-01 -4.5435299E-01 2.4516804E-01 -8.3590056E-02 20 2.0266012E+01 -4.3581430E-04 1.1291969E-01 6.2741875E-02 -3.5351050E-02 8.9701369E-03 21 1.1367871E+01 2.2077091E-04 4.5745088E-03 6.9727160E-01 -6.2426542E-01 2.4749500E-01 22 6.3732170E+00 -1.6000810E-04 1.9414708E-03 4.8442498E-01 -6.3685041E-01 2.4893518E-01 23 3.4636180E+00 8.8668600E-05 -8.4352840E-04 8.2373272E-02 2.9414231E-01 -1.4301697E-01 24 1.8270090E+00 -3.9884800E-05 2.0268019E-04 3.6220224E-03 8.2938309E-01 -5.1500061E-01 25 9.4966757E-01 1.7553589E-05 -1.3446527E-04 9.5747641E-04 3.5523737E-01 -3.5659735E-01 26 3.7342108E-01 -6.1702252E-06 4.2541931E-05 -9.0963890E-05 1.7424904E-02 4.5187343E-01 27 1.7443221E-01 2.8354758E-06 -1.7765378E-05 4.9424238E-06 -1.7435262E-03 6.7711538E-01 28 7.6985230E-02 -7.3429772E-07 5.0572704E-06 -1.2155585E-05 5.1783763E-04 1.9927322E-01 2p 3p 4p 5p 1 6.8508315E+06 9.0316955E-06 -4.2109546E-06 1.8118257E-06 -5.0343457E-07 2 1.0542503E+06 3.0199413E-05 -1.4084781E-05 6.0593821E-06 -1.6830428E-06 3 2.2596894E+05 9.1077492E-05 -4.2515905E-05 1.8302197E-05 -5.0882217E-06 4 5.9104234E+04 2.7621452E-04 -1.2919296E-04 5.5585493E-05 -1.5427218E-05 5 1.8064460E+04 9.1123131E-04 -4.2767186E-04 1.8440322E-04 -5.1332417E-05 6 6.3050550E+03 3.2218422E-03 -1.5194832E-03 6.5446937E-04 -1.8150372E-04 7 2.4589405E+03 1.1251530E-02 -5.3497238E-03 2.3134017E-03 -6.4469739E-04 8 1.0467583E+03 3.5955128E-02 -1.7358240E-02 7.5090639E-03 -2.0830174E-03 9 4.7688835E+02 9.8798798E-02 -4.9119668E-02 2.1437332E-02 -5.9861704E-03 10 2.2881751E+02 2.1659700E-01 -1.1264902E-01 4.9437131E-02 -1.3732048E-02 11 1.1399937E+02 3.4175964E-01 -1.8844991E-01 8.4301566E-02 -2.3698534E-02 12 5.8404214E+01 3.2135338E-01 -1.6144316E-01 6.8972298E-02 -1.8817318E-02 13 3.0211473E+01 1.3698520E-01 1.1922496E-01 -7.8631967E-02 2.2530251E-02 14 1.5558086E+01 1.6765390E-02 4.8657865E-01 -3.1701113E-01 9.5976347E-02 15 8.1478284E+00 8.8542768E-04 4.2814273E-01 -2.9099463E-01 8.3027120E-02 16 4.1273666E+00 -2.7276587E-04 1.0388268E-01 2.6618651E-01 -1.0015641E-01 17 2.0561403E+00 3.8485100E-05 3.5261362E-03 6.1852694E-01 -2.5448207E-01 18 9.9257545E-01 -7.0272118E-05 1.2640023E-03 3.1870072E-01 -1.1818492E-01 19 3.8630411E-01 1.9630014E-05 -2.8685353E-04 2.7902250E-02 3.5917912E-01 20 1.5985087E-01 -8.4572844E-06 1.0062562E-04 -1.1241882E-03 5.7154050E-01 21 6.2603560E-02 2.9280321E-06 -4.0031050E-05 8.5208608E-04 2.5077713E-01 3d 4d 1 7.7284169E+03 4.5312185E-05 -1.8044744E-05 2 2.0559577E+03 4.0299200E-04 -1.6108469E-04 3 7.4846426E+02 2.5195509E-03 -1.0078016E-03 4 3.1917637E+02 1.1826935E-02 -4.7634776E-03 5 1.4980706E+02 4.2005603E-02 -1.7023377E-02 6 7.4654899E+01 1.1453138E-01 -4.7212446E-02 7 3.8789575E+01 2.3172320E-01 -9.5728563E-02 8 2.0569319E+01 3.3408795E-01 -1.3356081E-01 9 1.1079021E+01 3.1247511E-01 -9.8649624E-02 10 5.9722776E+00 1.5212981E-01 9.4874719E-02 11 3.1602785E+00 3.0078292E-02 3.3453516E-01 12 1.6294969E+00 1.6189415E-03 4.1141229E-01 13 8.1785307E-01 7.8698254E-05 2.6407121E-01 14 3.8849309E-01 -3.4532313E-05 7.5278218E-02 15 1.5854467E-01 -3.6544503E-06 5.8786057E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.4767224E+07 7.9411912E-07 -2.7441400E-07 1.2225296E-07 -5.4520209E-08 1.8173206E-08 2 1.9406660E+07 5.5217944E-06 -1.9079273E-06 8.4997992E-07 -3.7895477E-07 1.2621548E-07 3 6.3554441E+06 2.0149498E-05 -6.9645213E-06 3.1028449E-06 -1.3838323E-06 4.6134203E-07 4 2.2781786E+06 6.7320645E-05 -2.3270448E-05 1.0367573E-05 -4.6219900E-06 1.5390772E-06 5 8.7653184E+05 2.0267606E-04 -7.0108156E-05 3.1238307E-05 -1.3933158E-05 4.6459481E-06 6 3.5405621E+05 5.8074059E-04 -2.0101046E-04 8.9572972E-05 -3.9931812E-05 1.3294491E-05 7 1.4933752E+05 1.5718895E-03 -5.4515207E-04 2.4299939E-04 -1.0840035E-04 3.6153096E-05 8 6.5377342E+04 4.0654716E-03 -1.4140986E-03 6.3060515E-04 -2.8114793E-04 9.3585299E-05 9 2.9615454E+04 1.0008841E-02 -3.5048839E-03 1.5645593E-03 -6.9820945E-04 2.3293399E-04 10 1.3838547E+04 2.3421501E-02 -8.3001124E-03 3.7118015E-03 -1.6556724E-03 5.5102061E-04 11 6.6522448E+03 5.1498389E-02 -1.8698006E-02 8.3925561E-03 -3.7500831E-03 1.2518286E-03 12 3.2810691E+03 1.0415858E-01 -3.9531075E-02 1.7864221E-02 -7.9846007E-03 2.6571518E-03 13 1.6564941E+03 1.8567394E-01 -7.6636751E-02 3.5086600E-02 -1.5747163E-02 5.2646734E-03 14 8.5416447E+02 2.7013670E-01 -1.2912211E-01 6.0537334E-02 -2.7256707E-02 9.0728920E-03 15 4.4863850E+02 2.7894958E-01 -1.6823843E-01 8.2145099E-02 -3.7410290E-02 1.2575022E-02 16 2.3859571E+02 1.6260719E-01 -1.0439245E-01 5.3170216E-02 -2.4283725E-02 8.0039990E-03 17 1.2528468E+02 3.4862799E-02 1.6808936E-01 -1.0973314E-01 5.2610321E-02 -1.7501310E-02 18 6.8330445E+01 3.3724166E-04 4.8226983E-01 -3.9899617E-01 2.0452643E-01 -7.0618007E-02 19 3.7432590E+01 7.2383882E-04 4.1079267E-01 -4.5449711E-01 2.4517167E-01 -8.3587499E-02 20 2.0266012E+01 -4.4686081E-04 1.1340785E-01 6.1986640E-02 -3.4747090E-02 8.7475941E-03 21 1.1367871E+01 2.2674077E-04 4.5695141E-03 6.9735512E-01 -6.2382047E-01 2.4728549E-01 22 6.3732170E+00 -1.6330037E-04 1.9659166E-03 4.8481212E-01 -6.3699547E-01 2.4899439E-01 23 3.4636180E+00 9.0197107E-05 -8.6015063E-04 8.2444486E-02 2.9401448E-01 -1.4292741E-01 24 1.8270090E+00 -4.0337013E-05 2.1303875E-04 3.6250822E-03 8.2944956E-01 -5.1496916E-01 25 9.4966757E-01 1.7596864E-05 -1.4031252E-04 9.5747568E-04 3.5529577E-01 -3.5661504E-01 26 3.7342108E-01 -6.0676573E-06 4.5837945E-05 -9.0811667E-05 1.7426470E-02 4.5186678E-01 27 1.7443221E-01 2.7082487E-06 -2.0112233E-05 4.8006646E-06 -1.7429960E-03 6.7712383E-01 28 7.6985230E-02 -6.6423140E-07 6.0423501E-06 -1.2097623E-05 5.1754632E-04 1.9927549E-01 2p 3p 4p 5p 1 6.8508315E+06 1.2133312E-07 -5.6641823E-08 2.4416587E-08 -6.8060682E-09 2 1.0542503E+06 1.3511454E-06 -6.3137884E-07 2.7119530E-07 -7.5046429E-08 3 2.2596894E+05 1.1191759E-05 -5.2373269E-06 2.2595990E-06 -6.3038749E-07 4 5.9104234E+04 7.8854738E-05 -3.6945996E-05 1.5881017E-05 -4.3969670E-06 5 1.8064460E+04 4.6894308E-04 -2.2013980E-04 9.4993578E-05 -2.6481695E-05 6 6.3050550E+03 2.3243852E-03 -1.0947563E-03 4.7122419E-04 -1.3058063E-04 7 2.4589405E+03 9.6162546E-03 -4.5622866E-03 1.9724201E-03 -5.4983666E-04 8 1.0467583E+03 3.3340570E-02 -1.6056163E-02 6.9417965E-03 -1.9251483E-03 9 4.7688835E+02 9.5320542E-02 -4.7279084E-02 2.0625750E-02 -5.7596802E-03 10 2.2881751E+02 2.1307551E-01 -1.1060347E-01 4.8520493E-02 -1.3475904E-02 11 1.1399937E+02 3.3940496E-01 -1.8691629E-01 8.3599181E-02 -2.3501092E-02 12 5.8404214E+01 3.2032820E-01 -1.6102054E-01 6.8825345E-02 -1.8778935E-02 13 3.0211473E+01 1.3601473E-01 1.1896683E-01 -7.8360456E-02 2.2447121E-02 14 1.5558086E+01 1.5645555E-02 4.8652738E-01 -3.1676070E-01 9.5891603E-02 15 8.1478284E+00 -1.2112999E-04 4.2844170E-01 -2.9110892E-01 8.3064659E-02 16 4.1273666E+00 -1.1847508E-03 1.0401161E-01 2.6598298E-01 -1.0007852E-01 17 2.0561403E+00 -7.1271683E-04 3.5818676E-03 6.1845062E-01 -2.5444126E-01 18 9.9257545E-01 -8.1022336E-04 1.3104542E-03 3.1863705E-01 -1.1817053E-01 19 3.8630411E-01 -7.3888323E-04 -2.3544413E-04 2.7806823E-02 3.5918976E-01 20 1.5985087E-01 -3.4923686E-04 1.2182366E-04 -1.1689755E-03 5.7154999E-01 21 6.2603560E-02 -7.4821176E-04 9.9250331E-06 7.5454304E-04 2.5079498E-01 3d 4d 1 7.7284169E+03 2.7259734E-05 -1.0847757E-05 2 2.0559577E+03 3.3634769E-04 -1.3443178E-04 3 7.4846426E+02 2.3326425E-03 -9.3263763E-04 4 3.1917637E+02 1.1417447E-02 -4.5970333E-03 5 1.4980706E+02 4.1307181E-02 -1.6734822E-02 6 7.4654899E+01 1.1362358E-01 -4.6825641E-02 7 3.8789575E+01 2.3086637E-01 -9.5359822E-02 8 2.0569319E+01 3.3352117E-01 -1.3332543E-01 9 1.1079021E+01 3.1224612E-01 -9.8604630E-02 10 5.9722776E+00 1.5202001E-01 9.4793888E-02 11 3.1602785E+00 2.9980748E-02 3.3446229E-01 12 1.6294969E+00 1.5499282E-03 4.1138151E-01 13 8.1785307E-01 3.2766239E-05 2.6406181E-01 14 3.8849309E-01 -6.0192921E-05 7.5270734E-02 15 1.5854467E-01 -2.7060892E-05 5.8696703E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.4767224E+07 6.9776588E-05 -2.4469063E-05 1.0918309E-05 -4.8736865E-06 1.6251470E-06 2 1.9406660E+07 1.6623200E-04 -5.8333795E-05 2.6006481E-05 -1.1596496E-05 3.8580662E-06 3 6.3554441E+06 3.3397578E-04 -1.1736499E-04 5.2411454E-05 -2.3407715E-05 7.8143631E-06 4 2.2781786E+06 6.3285006E-04 -2.2256568E-04 9.9240920E-05 -4.4232375E-05 1.4702341E-05 5 8.7653184E+05 1.1804779E-03 -4.1623504E-04 1.8609926E-04 -8.3140970E-05 2.7778030E-05 6 3.5405621E+05 2.1935645E-03 -7.7452340E-04 3.4575343E-04 -1.5407731E-04 5.1193043E-05 7 1.4933752E+05 4.1296278E-03 -1.4639347E-03 6.5563516E-04 -2.9295109E-04 9.7909897E-05 8 6.5377342E+04 7.9427067E-03 -2.8256677E-03 1.2640263E-03 -5.6344223E-04 1.8722030E-04 9 2.9615454E+04 1.5638434E-02 -5.6114564E-03 2.5182731E-03 -1.1254296E-03 3.7616523E-04 10 1.3838547E+04 3.1164016E-02 -1.1328970E-02 5.0860022E-03 -2.2695460E-03 7.5458059E-04 11 6.6522448E+03 6.1362003E-02 -2.2899412E-02 1.0330165E-02 -4.6207842E-03 1.5440878E-03 12 3.2810691E+03 1.1505999E-01 -4.4941155E-02 2.0390243E-02 -9.1168180E-03 3.0322865E-03 13 1.6564941E+03 1.9470510E-01 -8.2827338E-02 3.8099271E-02 -1.7119676E-02 5.7275189E-03 14 8.5416447E+02 2.7311768E-01 -1.3468905E-01 6.3425680E-02 -2.8578091E-02 9.5111719E-03 15 4.4863850E+02 2.7480735E-01 -1.7104491E-01 8.3855241E-02 -3.8223753E-02 1.2854989E-02 16 2.3859571E+02 1.5707450E-01 -1.0281526E-01 5.2470225E-02 -2.3968151E-02 7.8924866E-03 17 1.2528468E+02 3.2915827E-02 1.7194931E-01 -1.1269237E-01 5.4082917E-02 -1.7995522E-02 18 6.8330445E+01 9.6670308E-05 4.8344337E-01 -4.0179240E-01 2.0612494E-01 -7.1183374E-02 19 3.7432590E+01 6.6132614E-04 4.0925383E-01 -4.5455969E-01 2.4533901E-01 -8.3645992E-02 20 2.0266012E+01 -4.6043070E-04 1.1259132E-01 6.3418896E-02 -3.5682621E-02 9.0718635E-03 21 1.1367871E+01 2.1639884E-04 4.4815365E-03 6.9777361E-01 -6.2479491E-01 2.4771817E-01 22 6.3732170E+00 -1.6617035E-04 1.9425355E-03 4.8428632E-01 -6.3682705E-01 2.4892396E-01 23 3.4636180E+00 8.7607240E-05 -8.5366821E-04 8.2315905E-02 2.9435003E-01 -1.4310083E-01 24 1.8270090E+00 -4.1318367E-05 2.0426455E-04 3.6055155E-03 8.2942960E-01 -5.1504491E-01 25 9.4966757E-01 1.7414812E-05 -1.3644909E-04 9.5832958E-04 3.5520983E-01 -3.5658375E-01 26 3.7342108E-01 -6.3735241E-06 4.2675280E-05 -9.2433046E-05 1.7420640E-02 4.5188955E-01 27 1.7443221E-01 2.8014857E-06 -1.8076209E-05 5.6396497E-06 -1.7460390E-03 6.7711610E-01 28 7.6985230E-02 -7.8064116E-07 5.1009198E-06 -1.2671456E-05 5.1868603E-04 1.9927139E-01 2p 3p 4p 5p 1 6.8508315E+06 8.8529317E-06 -4.1013982E-06 1.7645900E-06 -4.9154485E-07 2 1.0542503E+06 3.0459840E-05 -1.4117706E-05 6.0626517E-06 -1.6780465E-06 3 2.2596894E+05 9.6289185E-05 -4.4754539E-05 1.9274210E-05 -5.3754094E-06 4 5.9104234E+04 2.9945542E-04 -1.3958253E-04 5.9985836E-05 -1.6601597E-05 5 1.8064460E+04 9.8120057E-04 -4.5948465E-04 1.9816447E-04 -5.5263440E-05 6 6.3050550E+03 3.3970392E-03 -1.5993423E-03 6.8851418E-04 -1.9072545E-04 7 2.4589405E+03 1.1658327E-02 -5.5378049E-03 2.3947734E-03 -6.6774724E-04 8 1.0467583E+03 3.6785563E-02 -1.7751764E-02 7.6784193E-03 -2.1293546E-03 9 4.7688835E+02 1.0017905E-01 -4.9809211E-02 2.1739758E-02 -6.0715513E-03 10 2.2881751E+02 2.1825291E-01 -1.1355268E-01 4.9837287E-02 -1.3842144E-02 11 1.1399937E+02 3.4293233E-01 -1.8921522E-01 8.4660421E-02 -2.3801763E-02 12 5.8404214E+01 3.2151239E-01 -1.6157639E-01 6.9034521E-02 -1.8832288E-02 13 3.0211473E+01 1.3676423E-01 1.1968314E-01 -7.8872779E-02 2.2596408E-02 14 1.5558086E+01 1.6696335E-02 4.8695107E-01 -3.1728169E-01 9.6062404E-02 15 8.1478284E+00 8.7595392E-04 4.2813482E-01 -2.9101157E-01 8.3029475E-02 16 4.1273666E+00 -2.7313355E-04 1.0382863E-01 2.6631931E-01 -1.0019949E-01 17 2.0561403E+00 3.7897045E-05 3.5199192E-03 6.1856338E-01 -2.5450255E-01 18 9.9257545E-01 -7.0248020E-05 1.2634256E-03 3.1868903E-01 -1.1817906E-01 19 3.8630411E-01 1.9546440E-05 -2.8697275E-04 2.7898917E-02 3.5918786E-01 20 1.5985087E-01 -8.4331731E-06 1.0068610E-04 -1.1246195E-03 5.7154204E-01 21 6.2603560E-02 2.9208536E-06 -4.0084461E-05 8.5222175E-04 2.5077648E-01 3d 4d 1 7.7284169E+03 4.8356779E-05 -1.9248312E-05 2 2.0559577E+03 4.1534898E-04 -1.6596355E-04 3 7.4846426E+02 2.5636538E-03 -1.0253045E-03 4 3.1917637E+02 1.1951744E-02 -4.8134150E-03 5 1.4980706E+02 4.2262802E-02 -1.7127647E-02 6 7.4654899E+01 1.1492186E-01 -4.7376125E-02 7 3.8789575E+01 2.3213184E-01 -9.5901769E-02 8 2.0569319E+01 3.3435535E-01 -1.3367390E-01 9 1.1079021E+01 3.1254939E-01 -9.8670345E-02 10 5.9722776E+00 1.5210853E-01 9.4940620E-02 11 3.1602785E+00 3.0067901E-02 3.3459037E-01 12 1.6294969E+00 1.6172900E-03 4.1143224E-01 13 8.1785307E-01 7.8754943E-05 2.6407062E-01 14 3.8849309E-01 -3.4612027E-05 7.5276632E-02 15 1.5854467E-01 -3.6385542E-06 5.8783947E-03 ** I 127 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.6175652E+07 2.6480178E-05 -9.2004641E-06 4.1168456E-06 -1.8570058E-06 6.4219818E-07 2 1.9849983E+07 6.7053825E-05 -2.3344583E-05 1.0448821E-05 -4.7131943E-06 1.6296491E-06 3 6.5395721E+06 1.4812126E-04 -5.1688970E-05 2.3143434E-05 -1.0441176E-05 3.6112922E-06 4 2.3596246E+06 3.0913146E-04 -1.0824417E-04 4.8489432E-05 -2.1875229E-05 7.5629350E-06 5 9.1352219E+05 6.4668382E-04 -2.2740634E-04 1.0193282E-04 -4.6000244E-05 1.5913454E-05 6 3.7073402E+05 1.3554542E-03 -4.7907570E-04 2.1489708E-04 -9.6968213E-05 3.3519908E-05 7 1.5693523E+05 2.8691507E-03 -1.0203065E-03 4.5808208E-04 -2.0681048E-04 7.1567462E-05 8 6.8905393E+04 6.1122993E-03 -2.1887287E-03 9.8363859E-04 -4.4397951E-04 1.5344027E-04 9 3.1288540E+04 1.3019769E-02 -4.7070377E-03 2.1183896E-03 -9.5698483E-04 3.3131735E-04 10 1.4648899E+04 2.7391711E-02 -1.0040403E-02 4.5278586E-03 -2.0449277E-03 7.0654691E-04 11 7.0539515E+03 5.5862444E-02 -2.0984660E-02 9.4984731E-03 -4.2968236E-03 1.4886669E-03 12 3.4846093E+03 1.0735747E-01 -4.2106955E-02 1.9184746E-02 -8.6816011E-03 2.9991199E-03 13 1.7615182E+03 1.8546454E-01 -7.8860866E-02 3.6384436E-02 -1.6530521E-02 5.7363893E-03 14 9.0920153E+02 2.6585832E-01 -1.3022294E-01 6.1468812E-02 -2.8014158E-02 9.6793840E-03 15 4.7786933E+02 2.7504935E-01 -1.6865334E-01 8.2780975E-02 -3.8148933E-02 1.3310927E-02 16 2.5427862E+02 1.6366137E-01 -1.0786733E-01 5.5055093E-02 -2.5432592E-02 8.7031034E-03 17 1.3385760E+02 3.6791436E-02 1.5646160E-01 -1.0309743E-01 5.0048371E-02 -1.7265508E-02 18 7.3157057E+01 5.3255751E-04 4.7292399E-01 -3.9041488E-01 2.0243717E-01 -7.2621759E-02 19 4.0187794E+01 7.5894230E-04 4.1930096E-01 -4.6376414E-01 2.5308955E-01 -8.9626265E-02 20 2.1892839E+01 -4.6525287E-04 1.2336200E-01 2.8498501E-02 -1.4165664E-02 1.3466997E-03 21 1.2282452E+01 2.3963326E-04 6.1338136E-03 6.8594580E-01 -6.1411142E-01 2.5330694E-01 22 6.9006489E+00 -1.7532758E-04 1.9440696E-03 5.0807936E-01 -6.7127682E-01 2.7410139E-01 23 3.7685525E+00 9.8273306E-05 -8.4645757E-04 9.2626726E-02 2.5940918E-01 -1.3090556E-01 24 1.9974585E+00 -4.5176339E-05 2.0021475E-04 4.2520153E-03 8.4444625E-01 -5.5062129E-01 25 1.0477282E+00 2.0333860E-05 -1.4037692E-04 9.6843947E-04 3.7156028E-01 -3.8685138E-01 26 4.2646199E-01 -7.3010391E-06 4.6473132E-05 -1.0919295E-04 1.9725051E-02 4.6682895E-01 27 2.0028304E-01 3.2208595E-06 -1.7866750E-05 -7.3236762E-06 -1.5719986E-03 6.8751835E-01 28 8.8978635E-02 -8.2532571E-07 5.2310074E-06 -1.3005169E-05 5.4627816E-04 1.9866984E-01 2p 3p 4p 5p 1 7.5310209E+06 9.0237841E-06 -4.2299581E-06 1.8475243E-06 -5.4485433E-07 2 1.1662681E+06 3.0099388E-05 -1.4113863E-05 6.1638480E-06 -1.8171281E-06 3 2.5045040E+05 9.0177663E-05 -4.2321205E-05 1.8493188E-05 -5.4566998E-06 4 6.5445899E+04 2.7014150E-04 -1.2702891E-04 5.5485040E-05 -1.6344893E-05 5 1.9932240E+04 8.7723203E-04 -4.1389369E-04 1.8114445E-04 -5.3518404E-05 6 6.9208735E+03 3.0664093E-03 -1.4539534E-03 6.3580232E-04 -1.8715258E-04 7 2.6846079E+03 1.0673811E-02 -5.1011166E-03 2.2390173E-03 -6.6227699E-04 8 1.1374703E+03 3.4213653E-02 -1.6596800E-02 7.2889610E-03 -2.1461078E-03 9 5.1621020E+02 9.4770132E-02 -4.7301959E-02 2.0950941E-02 -6.2098226E-03 10 2.4693983E+02 2.1043938E-01 -1.0982239E-01 4.8928962E-02 -1.4427027E-02 11 1.2274916E+02 3.3825820E-01 -1.8710559E-01 8.4931195E-02 -2.5344759E-02 12 6.2799497E+01 3.2702663E-01 -1.6816207E-01 7.3497283E-02 -2.1331772E-02 13 3.2487371E+01 1.4520047E-01 1.0443580E-01 -7.2197612E-02 2.2028613E-02 14 1.6723605E+01 1.8970102E-02 4.8034599E-01 -3.1791194E-01 1.0249038E-01 15 8.7679297E+00 8.5727186E-04 4.3852518E-01 -3.0600462E-01 9.3312640E-02 16 4.4589051E+00 -2.3890940E-04 1.1097809E-01 2.5506569E-01 -1.0347660E-01 17 2.2338061E+00 2.0849731E-05 4.0524444E-03 6.2550275E-01 -2.7848073E-01 18 1.0911480E+00 -6.6597407E-05 1.3150583E-03 3.2176948E-01 -1.2636412E-01 19 4.3929315E-01 1.8963423E-05 -3.2004806E-04 2.9016654E-02 3.8032828E-01 20 1.8360774E-01 -7.5169707E-06 1.0111600E-04 -5.7240789E-04 5.7107303E-01 21 7.2403358E-02 2.8109499E-06 -4.3518611E-05 8.5191243E-04 2.3788859E-01 3d 4d 1 8.6279708E+03 4.1448409E-05 -1.7008768E-05 2 2.2813047E+03 3.6444183E-04 -1.5004966E-04 3 8.2732533E+02 2.2798178E-03 -9.3957370E-04 4 3.5190121E+02 1.0785043E-02 -4.4739829E-03 5 1.6496856E+02 3.8803158E-02 -1.6198983E-02 6 8.2183367E+01 1.0749512E-01 -4.5622600E-02 7 4.2729088E+01 2.2236192E-01 -9.4837957E-02 8 2.2703366E+01 3.2893896E-01 -1.3613081E-01 9 1.2260601E+01 3.1937408E-01 -1.0838557E-01 10 6.6400786E+00 1.6414931E-01 8.0239353E-02 11 3.5392069E+00 3.5209062E-02 3.2877960E-01 12 1.8418472E+00 2.0683155E-03 4.1798095E-01 13 9.3488753E-01 8.8806733E-05 2.6859917E-01 14 4.4933710E-01 -4.6318234E-05 7.5891795E-02 15 1.8644465E-01 -4.8217596E-06 6.2670810E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.6175652E+07 8.2278138E-07 -2.8542196E-07 1.2768607E-07 -5.7599372E-08 1.9925509E-08 2 1.9849983E+07 5.6927243E-06 -1.9746504E-06 8.8336181E-07 -3.9837737E-07 1.3769979E-07 3 6.5395721E+06 2.0554034E-05 -7.1319578E-06 3.1906668E-06 -1.4394016E-06 4.9801608E-07 4 2.3596246E+06 6.8042130E-05 -2.3611786E-05 1.0563385E-05 -4.7635587E-06 1.6461564E-06 5 9.1352219E+05 2.0318315E-04 -7.0557411E-05 3.1569446E-05 -1.4243187E-05 4.9289885E-06 6 3.7073402E+05 5.7902013E-04 -2.0120109E-04 9.0030852E-05 -4.0598525E-05 1.4027140E-05 7 1.5693523E+05 1.5595037E-03 -5.4296226E-04 2.4303228E-04 -1.0966501E-04 3.7958626E-05 8 6.8905393E+04 4.0164517E-03 -1.4024881E-03 6.2802833E-04 -2.8322673E-04 9.7838929E-05 9 3.1288540E+04 9.8538930E-03 -3.4636472E-03 1.5525869E-03 -7.0085620E-04 2.4266485E-04 10 1.4648899E+04 2.2993916E-02 -8.1778609E-03 3.6722326E-03 -1.6569051E-03 5.7226092E-04 11 7.0539515E+03 5.0450390E-02 -1.8373385E-02 8.2805975E-03 -3.7427150E-03 1.2966661E-03 12 3.4846093E+03 1.0198187E-01 -3.8784555E-02 1.7596271E-02 -7.9554073E-03 2.7474360E-03 13 1.7615182E+03 1.8221553E-01 -7.5201847E-02 3.4558341E-02 -1.5688414E-02 5.4437492E-03 14 9.0920153E+02 2.6700633E-01 -1.2714802E-01 5.9803974E-02 -2.7234734E-02 9.4081399E-03 15 4.7786933E+02 2.8000848E-01 -1.6738906E-01 8.1937817E-02 -3.7740276E-02 1.3167257E-02 16 2.5427862E+02 1.6789698E-01 -1.0899795E-01 5.5674119E-02 -2.5724272E-02 8.8053661E-03 17 1.3385760E+02 3.7887588E-02 1.5451846E-01 -1.0121010E-01 4.9066824E-02 -1.6917260E-02 18 7.3157057E+01 5.4190482E-04 4.7312547E-01 -3.8895737E-01 2.0153727E-01 -7.2291191E-02 19 4.0187794E+01 7.7910661E-04 4.2067825E-01 -4.6385517E-01 2.5305196E-01 -8.9607909E-02 20 2.1892839E+01 -4.7735391E-04 1.2391267E-01 2.7691182E-02 -1.3530544E-02 1.1044784E-03 21 1.2282452E+01 2.4611372E-04 6.1392121E-03 6.8598265E-01 -6.1360020E-01 2.5305901E-01 22 6.9006489E+00 -1.7888217E-04 1.9669052E-03 5.0850637E-01 -6.7142124E-01 2.7415999E-01 23 3.7685525E+00 9.9887733E-05 -8.6201985E-04 9.2708366E-02 2.5925909E-01 -1.3079987E-01 24 1.9974585E+00 -4.5606007E-05 2.0991248E-04 4.2582176E-03 8.4451392E-01 -5.5058037E-01 25 1.0477282E+00 2.0325984E-05 -1.4595968E-04 9.6700896E-04 3.7162847E-01 -3.8687350E-01 26 4.2646199E-01 -7.1467303E-06 4.9605884E-05 -1.0822175E-04 1.9726548E-02 4.6682177E-01 27 2.0028304E-01 3.0494307E-06 -2.0009761E-05 -8.0486979E-06 -1.5710140E-03 6.8752817E-01 28 8.8978635E-02 -7.3522718E-07 6.1120902E-06 -1.2707614E-05 5.4580657E-04 1.9867265E-01 2p 3p 4p 5p 1 7.5310209E+06 1.1641443E-07 -5.4634716E-08 2.3903745E-08 -7.0719914E-09 2 1.1662681E+06 1.2759412E-06 -5.9950795E-07 2.6145434E-07 -7.6789365E-08 3 2.5045040E+05 1.0422415E-05 -4.9034213E-06 2.1471997E-06 -6.3582981E-07 4 6.5445899E+04 7.2877590E-05 -3.4335352E-05 1.4984809E-05 -4.4031635E-06 5 1.9932240E+04 4.3357505E-04 -2.0463907E-04 8.9631772E-05 -2.6522211E-05 6 6.9208735E+03 2.1614202E-03 -1.0235574E-03 4.4731067E-04 -1.3155672E-04 7 2.6846079E+03 9.0142592E-03 -4.2984829E-03 1.8862399E-03 -5.5810961E-04 8 1.1374703E+03 3.1538640E-02 -1.5260056E-02 6.6978932E-03 -1.9715117E-03 9 5.1621020E+02 9.1170311E-02 -4.5393136E-02 2.0096799E-02 -5.9567977E-03 10 2.4693983E+02 2.0673588E-01 -1.0766954E-01 4.7949912E-02 -1.4136580E-02 11 1.2274916E+02 3.3572544E-01 -1.8545282E-01 8.4162468E-02 -2.5115299E-02 12 6.2799497E+01 3.2592379E-01 -1.6767140E-01 7.3315290E-02 -2.1280706E-02 13 3.2487371E+01 1.4420292E-01 1.0416701E-01 -7.1910127E-02 2.1934761E-02 14 1.6723605E+01 1.7801814E-02 4.8027098E-01 -3.1762921E-01 1.0238865E-01 15 8.7679297E+00 -1.9734459E-04 4.3883980E-01 -3.0611906E-01 9.3352452E-02 16 4.4589051E+00 -1.1881826E-03 1.1111800E-01 2.5484334E-01 -1.0338523E-01 17 2.2338061E+00 -7.6905178E-04 4.1107144E-03 6.2541968E-01 -2.7843211E-01 18 1.0911480E+00 -8.1886410E-04 1.3613088E-03 3.2170626E-01 -1.2634983E-01 19 4.3929315E-01 -7.7104103E-04 -2.6727504E-04 2.8914971E-02 3.8033975E-01 20 1.8360774E-01 -3.6764170E-04 1.2311654E-04 -6.2076772E-04 5.7108398E-01 21 7.2403358E-02 -7.9954699E-04 8.9661459E-06 7.4512594E-04 2.3790885E-01 3d 4d 1 8.6279708E+03 2.3980835E-05 -9.8346336E-06 2 2.2813047E+03 2.9921508E-04 -1.2317832E-04 3 8.2732533E+02 2.0954328E-03 -8.6320045E-04 4 3.5190121E+02 1.0375645E-02 -4.3026023E-03 5 1.6496856E+02 3.8092864E-02 -1.5896875E-02 6 8.2183367E+01 1.0655137E-01 -4.5208682E-02 7 4.2729088E+01 2.2144717E-01 -9.4431327E-02 8 2.2703366E+01 3.2831523E-01 -1.3586201E-01 9 1.2260601E+01 3.1911406E-01 -1.0832400E-01 10 6.6400786E+00 1.6403249E-01 8.0153211E-02 11 3.5392069E+00 3.5104461E-02 3.2869638E-01 12 1.8418472E+00 1.9934684E-03 4.1794598E-01 13 9.3488753E-01 3.7519859E-05 2.6858912E-01 14 4.4933710E-01 -7.4334745E-05 7.5883452E-02 15 1.8644465E-01 -3.1656202E-05 6.2565406E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.6175652E+07 7.4196191E-05 -2.6124605E-05 1.1705723E-05 -5.2851496E-06 1.8289463E-06 2 1.9849983E+07 1.7574551E-04 -6.1925115E-05 2.7724888E-05 -1.2506416E-05 4.3182342E-06 3 6.5395721E+06 3.5055044E-04 -1.2369294E-04 5.5466420E-05 -2.5055258E-05 8.6805076E-06 4 2.3596246E+06 6.5924566E-04 -2.3281645E-04 1.0425243E-04 -4.7008147E-05 1.6215803E-05 5 9.1352219E+05 1.2215385E-03 -4.3252331E-04 1.9417928E-04 -8.7741021E-05 3.0423623E-05 6 3.7073402E+05 2.2550559E-03 -7.9972373E-04 3.5851433E-04 -1.6163126E-04 5.5732383E-05 7 1.5693523E+05 4.2135896E-03 -1.5004346E-03 6.7477203E-04 -3.0494849E-04 1.0577712E-04 8 6.8905393E+04 8.0342604E-03 -2.8717171E-03 1.2901152E-03 -5.8178637E-04 2.0061542E-04 9 3.1288540E+04 1.5680211E-02 -5.6530178E-03 2.5477331E-03 -1.1516722E-03 3.9951985E-04 10 1.4648899E+04 3.0994358E-02 -1.1319378E-02 5.1035753E-03 -2.3038751E-03 7.9491384E-04 11 7.0539515E+03 6.0633203E-02 -2.2720549E-02 1.0293234E-02 -4.6573264E-03 1.6152776E-03 12 3.4846093E+03 1.1326509E-01 -4.4379695E-02 2.0219207E-02 -9.1451823E-03 3.1565837E-03 13 1.7615182E+03 1.9167558E-01 -8.1622141E-02 3.7692828E-02 -1.7132339E-02 5.9491334E-03 14 9.0920153E+02 2.7035021E-01 -1.3297942E-01 6.2834033E-02 -2.8637232E-02 9.8909520E-03 15 4.7786933E+02 2.7592030E-01 -1.7042742E-01 8.3779909E-02 -3.8625015E-02 1.3483172E-02 16 2.5427862E+02 1.6207971E-01 -1.0750465E-01 5.5034178E-02 -2.5434860E-02 8.6983673E-03 17 1.3385760E+02 3.5730144E-02 1.5853009E-01 -1.0424738E-01 5.0591908E-02 -1.7448040E-02 18 7.3157057E+01 2.6987751E-04 4.7451964E-01 -3.9196092E-01 2.0326690E-01 -7.2926648E-02 19 4.0187794E+01 7.0951497E-04 4.1911091E-01 -4.6405167E-01 2.5331006E-01 -8.9701684E-02 20 2.1892839E+01 -4.9146104E-04 1.2300161E-01 2.9195351E-02 -1.4503860E-02 1.4526797E-03 21 1.2282452E+01 2.3430593E-04 6.0308310E-03 6.8651071E-01 -6.1469218E-01 2.5356070E-01 22 6.9006489E+00 -1.8166120E-04 1.9426024E-03 5.0794505E-01 -6.7127750E-01 2.7410025E-01 23 3.7685525E+00 9.7010848E-05 -8.5707995E-04 9.2559460E-02 2.5963973E-01 -1.3100144E-01 24 1.9974585E+00 -4.6639070E-05 2.0166076E-04 4.2338292E-03 8.4450328E-01 -5.5067666E-01 25 1.0477282E+00 2.0136543E-05 -1.4246551E-04 9.6906523E-04 3.7152956E-01 -3.8683543E-01 26 4.2646199E-01 -7.5206287E-06 4.6591016E-05 -1.1079074E-04 1.9719684E-02 4.6684861E-01 27 2.0028304E-01 3.1752965E-06 -1.8201919E-05 -6.6013482E-06 -1.5746150E-03 6.8751897E-01 28 8.8978635E-02 -8.7525106E-07 5.2731327E-06 -1.3561325E-05 5.4713968E-04 1.9866774E-01 2p 3p 4p 5p 1 7.5310209E+06 8.8103029E-06 -4.1027639E-06 1.7915311E-06 -5.2968366E-07 2 1.1662681E+06 3.0245653E-05 -1.4093953E-05 6.1451726E-06 -1.8051805E-06 3 2.5045040E+05 9.5094014E-05 -4.4425411E-05 1.9416922E-05 -5.7476584E-06 4 6.5445899E+04 2.9303694E-04 -1.3732823E-04 5.9922920E-05 -1.7601148E-05 5 1.9932240E+04 9.4747753E-04 -4.4600199E-04 1.9522082E-04 -5.7786476E-05 6 6.9208735E+03 3.2430280E-03 -1.5350477E-03 6.7095634E-04 -1.9725994E-04 7 2.6846079E+03 1.1083337E-02 -5.2914355E-03 2.3225153E-03 -6.8738439E-04 8 1.1374703E+03 3.5053777E-02 -1.6996865E-02 7.4638754E-03 -2.1968995E-03 9 5.1621020E+02 9.6183179E-02 -4.8009631E-02 2.1265702E-02 -6.3041542E-03 10 2.4693983E+02 2.1216915E-01 -1.1076728E-01 4.9353739E-02 -1.4551081E-02 11 1.2274916E+02 3.3952539E-01 -1.8792751E-01 8.5321298E-02 -2.5463857E-02 12 6.2799497E+01 3.2723415E-01 -1.6833836E-01 7.3582473E-02 -2.1354402E-02 13 3.2487371E+01 1.4496777E-01 1.0490827E-01 -7.2450060E-02 2.2102211E-02 14 1.6723605E+01 1.8892131E-02 4.8075374E-01 -3.1820896E-01 1.0259084E-01 15 8.7679297E+00 8.4609300E-04 4.3852534E-01 -3.0603231E-01 9.3318539E-02 16 4.4589051E+00 -2.3909717E-04 1.1091817E-01 2.5521137E-01 -1.0352695E-01 17 2.2338061E+00 2.0064926E-05 4.0454199E-03 6.2554473E-01 -2.7850620E-01 18 1.0911480E+00 -6.6512146E-05 1.3142873E-03 3.2175631E-01 -1.2635667E-01 19 4.3929315E-01 1.8846321E-05 -3.2014789E-04 2.9012752E-02 3.8033894E-01 20 1.8360774E-01 -7.4820073E-06 1.0116394E-04 -5.7286158E-04 5.7107458E-01 21 7.2403358E-02 2.8008272E-06 -4.3573219E-05 8.5204158E-04 2.3788784E-01 3d 4d 1 8.6279708E+03 4.4419785E-05 -1.8222931E-05 2 2.2813047E+03 3.7644294E-04 -1.5491883E-04 3 8.2732533E+02 2.3226923E-03 -9.5712271E-04 4 3.5190121E+02 1.0907708E-02 -4.5244792E-03 5 1.6496856E+02 3.9061541E-02 -1.6306871E-02 6 8.2183367E+01 1.0789633E-01 -4.5795494E-02 7 4.2729088E+01 2.2279698E-01 -9.5028559E-02 8 2.2703366E+01 3.2923550E-01 -1.3626006E-01 9 1.2260601E+01 3.1946616E-01 -1.0841630E-01 10 6.6400786E+00 1.6412817E-01 8.0309141E-02 11 3.5392069E+00 3.5196635E-02 3.2884316E-01 12 1.8418472E+00 2.0661527E-03 4.1800485E-01 13 9.3488753E-01 8.8876127E-05 2.6859833E-01 14 4.4933710E-01 -4.6418694E-05 7.5889882E-02 15 1.8644465E-01 -4.8019457E-06 6.2668254E-03 ** Xe 132 ** Large component functions ------------------------- 1s 2s 3s 4s 5s 1 7.4842326E+07 2.8931984E-05 -1.0091946E-05 4.5338419E-06 -2.0674283E-06 7.3754009E-07 2 1.9588576E+07 7.2759563E-05 -2.5432401E-05 1.1429066E-05 -5.2116746E-06 1.8589267E-06 3 6.5005892E+06 1.5913378E-04 -5.5756679E-05 2.5065191E-05 -1.1431671E-05 4.0786888E-06 4 2.3660738E+06 3.2822253E-04 -1.1540338E-04 5.1905544E-05 -2.3672335E-05 8.4428366E-06 5 9.2486302E+05 6.7848322E-04 -2.3958914E-04 1.0782849E-04 -4.9192580E-05 1.7554963E-05 6 3.7882078E+05 1.4047362E-03 -4.9863346E-04 2.2458242E-04 -1.0244754E-04 3.6533376E-05 7 1.6170485E+05 2.9392783E-03 -1.0498741E-03 4.7328366E-04 -2.1601053E-04 7.7109952E-05 8 7.1500385E+04 6.1943919E-03 -2.2283050E-03 1.0055630E-03 -4.5885077E-04 1.6359577E-04 9 3.2655217E+04 1.3069389E-02 -4.7471567E-03 2.1452753E-03 -9.7974031E-04 3.4989340E-04 10 1.5356984E+04 2.7292839E-02 -1.0051360E-02 4.5517164E-03 -2.0782832E-03 7.4081045E-04 11 7.4175971E+03 5.5385166E-02 -2.0898210E-02 9.4983491E-03 -4.3438154E-03 1.5523672E-03 12 3.6712961E+03 1.0615110E-01 -4.1792683E-02 1.9119697E-02 -8.7473753E-03 3.1177261E-03 13 1.8580138E+03 1.8337464E-01 -7.8153157E-02 3.6198492E-02 -1.6625740E-02 5.9509211E-03 14 9.5948920E+02 2.6388023E-01 -1.2921452E-01 6.1216229E-02 -2.8206446E-02 1.0056592E-02 15 5.0426997E+02 2.7554957E-01 -1.6825731E-01 8.2839864E-02 -3.8588988E-02 1.3885201E-02 16 2.6819983E+02 1.6667542E-01 -1.1013651E-01 5.6380345E-02 -2.6341771E-02 9.3163497E-03 17 1.4115166E+02 3.8474509E-02 1.5102540E-01 -1.0016336E-01 4.9223596E-02 -1.7546416E-02 18 7.7095437E+01 6.0084486E-04 4.7042619E-01 -3.8881277E-01 2.0390568E-01 -7.5466684E-02 19 4.2337388E+01 8.0836076E-04 4.2305985E-01 -4.6886417E-01 2.5923740E-01 -9.4956525E-02 20 2.3091448E+01 -5.0446736E-04 1.2650623E-01 2.0816669E-02 -9.7804725E-03 -1.7431954E-04 21 1.2981009E+01 2.7237370E-04 6.4961481E-03 6.8358284E-01 -6.2120958E-01 2.6527860E-01 22 7.3238589E+00 -2.0067569E-04 1.9778433E-03 5.1161421E-01 -6.8282136E-01 2.8909667E-01 23 4.0360618E+00 1.1503223E-04 -8.7952620E-04 9.7286081E-02 2.4505064E-01 -1.2708808E-01 24 2.1573514E+00 -5.4325746E-05 2.0967816E-04 4.7173085E-03 8.5399413E-01 -5.8340170E-01 25 1.1432416E+00 2.4801321E-05 -1.4856096E-04 9.8043645E-04 3.7941210E-01 -4.1009828E-01 26 4.8412479E-01 -9.0331179E-06 5.1195791E-05 -1.4507326E-04 2.1506712E-02 4.7681693E-01 27 2.2781926E-01 3.7695388E-06 -1.7694910E-05 -1.3914739E-05 -1.1181156E-03 7.0153685E-01 28 1.0134246E-01 -9.4805535E-07 5.3315558E-06 -1.5859298E-05 5.2290263E-04 1.9893168E-01 2p 3p 4p 5p 1 8.1013156E+06 9.1315750E-06 -4.3027666E-06 1.9070364E-06 -5.8615861E-07 2 1.2652438E+06 3.0394699E-05 -1.4326574E-05 6.3490918E-06 -1.9508063E-06 3 2.7261885E+05 9.0516734E-05 -4.2700473E-05 1.8933618E-05 -5.8225106E-06 4 7.1272001E+04 2.6831426E-04 -1.2682445E-04 5.6215537E-05 -1.7260206E-05 5 2.1662368E+04 8.5926091E-04 -4.0750525E-04 1.8096896E-04 -5.5723347E-05 6 7.4933322E+03 2.9707608E-03 -1.4159978E-03 6.2840436E-04 -1.9279721E-04 7 2.8944848E+03 1.0297045E-02 -4.9461819E-03 2.2029408E-03 -6.7914235E-04 8 1.2217449E+03 3.3048548E-02 -1.6110157E-02 7.1803198E-03 -2.2035610E-03 9 5.5268974E+02 9.2034741E-02 -4.6133135E-02 2.0732384E-02 -6.4051375E-03 10 2.6372757E+02 2.0620595E-01 -1.0803746E-01 4.8850012E-02 -1.5015140E-02 11 1.3084652E+02 3.3574848E-01 -1.8639564E-01 8.5845683E-02 -2.6705726E-02 12 6.6861144E+01 3.3078555E-01 -1.7274055E-01 7.6957192E-02 -2.3314038E-02 13 3.4584003E+01 1.5090739E-01 9.4903729E-02 -6.8431611E-02 2.1852057E-02 14 1.7801902E+01 2.0545204E-02 4.7676707E-01 -3.2112089E-01 1.0831568E-01 15 9.3446890E+00 8.3463889E-04 4.4466249E-01 -3.1678862E-01 1.0118959E-01 16 4.7671019E+00 -2.1813924E-04 1.1533867E-01 2.5164374E-01 -1.0801061E-01 17 2.4002268E+00 9.9109216E-06 4.3471103E-03 6.3270605E-01 -2.9997882E-01 18 1.1849369E+00 -6.4004396E-05 1.3414065E-03 3.1951411E-01 -1.2894459E-01 19 4.9231549E-01 1.8187460E-05 -3.3542949E-04 2.8567590E-02 3.9993993E-01 20 2.0747488E-01 -7.9911298E-06 1.2318295E-04 -9.8191854E-04 5.6944972E-01 21 8.2333286E-02 2.3305364E-06 -3.7134087E-05 4.1936268E-04 2.2669293E-01 3d 4d 1 9.5680626E+03 3.8364794E-05 -1.6173401E-05 2 2.5154375E+03 3.3337375E-04 -1.4095244E-04 3 9.0886626E+02 2.0849216E-03 -8.8264394E-04 4 3.8562091E+02 9.9265940E-03 -4.2284914E-03 5 1.8055116E+02 3.6120810E-02 -1.5486971E-02 6 8.9914006E+01 1.0146600E-01 -4.4205318E-02 7 4.6771497E+01 2.1401518E-01 -9.3912664E-02 8 2.4894688E+01 3.2386742E-01 -1.3823470E-01 9 1.3474708E+01 3.2481477E-01 -1.1684262E-01 10 7.3269232E+00 1.7492828E-01 6.7022823E-02 11 3.9299390E+00 4.0219000E-02 3.2315858E-01 12 2.0616717E+00 2.5724804E-03 4.2377570E-01 13 1.0565610E+00 9.4134590E-05 2.7281563E-01 14 5.1278541E-01 -5.6853959E-05 7.6624470E-02 15 2.1522200E-01 -6.5606747E-06 6.5970595E-03 Pseudo-large component functions -------------------------------- 1s 2s 3s 4s 5s 1 7.4842326E+07 8.8991017E-07 -3.0991085E-07 1.3919522E-07 -6.3476068E-08 2.2651105E-08 2 1.9588576E+07 6.1207446E-06 -2.1314073E-06 9.5730700E-07 -4.3644156E-07 1.5562520E-07 3 6.5005892E+06 2.1806395E-05 -7.5960557E-06 3.4118678E-06 -1.5559817E-06 5.5533204E-07 4 2.3660738E+06 7.1270915E-05 -2.4829290E-05 1.1152640E-05 -5.0842298E-06 1.8125139E-06 5 9.2486302E+05 2.0985025E-04 -7.3159085E-05 3.2864333E-05 -1.4989181E-05 5.3507625E-06 6 3.7882078E+05 5.9087495E-04 -2.0613279E-04 9.2608510E-05 -4.2217184E-05 1.5047540E-05 7 1.6170485E+05 1.5746351E-03 -5.5040285E-04 2.4734848E-04 -1.1283061E-04 4.0286029E-05 8 7.1500385E+04 4.0210786E-03 -1.4096857E-03 6.3379612E-04 -2.8895256E-04 1.0297383E-04 9 3.2655217E+04 9.7967854E-03 -3.4570768E-03 1.5558422E-03 -7.0998943E-04 2.5357617E-04 10 1.5356984E+04 2.2752447E-02 -8.1226830E-03 3.6621394E-03 -1.6704332E-03 5.9519755E-04 11 7.4175971E+03 4.9790042E-02 -1.8194856E-02 8.2325773E-03 -3.7615895E-03 1.3442459E-03 12 3.6712961E+03 1.0056737E-01 -3.8349675E-02 1.7467378E-02 -7.9836739E-03 2.8446534E-03 13 1.8580138E+03 1.7994113E-01 -7.4350229E-02 3.4294275E-02 -1.5737954E-02 5.6326414E-03 14 9.5948920E+02 2.6496716E-01 -1.2599593E-01 5.9469635E-02 -2.7379750E-02 9.7597268E-03 15 5.0426997E+02 2.8065666E-01 -1.6690002E-01 8.1937796E-02 -3.8147234E-02 1.3725003E-02 16 2.6819983E+02 1.7114863E-01 -1.1128195E-01 5.7004234E-02 -2.6638545E-02 9.4236376E-03 17 1.4115166E+02 3.9667613E-02 1.4898410E-01 -9.8191348E-02 4.8186522E-02 -1.7166469E-02 18 7.7095437E+01 6.1327397E-04 4.7059589E-01 -3.8725873E-01 2.0293681E-01 -7.5099236E-02 19 4.2337388E+01 8.3065497E-04 4.2450259E-01 -4.6894109E-01 2.5918274E-01 -9.4930184E-02 20 2.3091448E+01 -5.1803547E-04 1.2709526E-01 1.9957554E-02 -9.0979031E-03 -4.4390424E-04 21 1.2981009E+01 2.7984553E-04 6.5043922E-03 6.8361180E-01 -6.2065443E-01 2.6499974E-01 22 7.3238589E+00 -2.0483691E-04 2.0016683E-03 5.1206707E-01 -6.8297379E-01 2.8915971E-01 23 4.0360618E+00 1.1693707E-04 -8.9598805E-04 9.7376215E-02 2.4488282E-01 -1.2696752E-01 24 2.1573514E+00 -5.4827232E-05 2.2002540E-04 4.7248382E-03 8.5406428E-01 -5.8335131E-01 25 1.1432416E+00 2.4771536E-05 -1.5461578E-04 9.7860102E-04 3.7948960E-01 -4.1012556E-01 26 4.8412479E-01 -8.8336137E-06 5.4564104E-05 -1.4390965E-04 2.1508008E-02 4.7680950E-01 27 2.2781926E-01 3.5582808E-06 -1.9882149E-05 -1.4749569E-05 -1.1166193E-03 7.0154790E-01 28 1.0134246E-01 -8.3957621E-07 6.2111695E-06 -1.5525948E-05 5.2225067E-04 1.9893516E-01 2p 3p 4p 5p 1 8.1013156E+06 1.1462509E-07 -5.4072189E-08 2.4004081E-08 -7.4015007E-09 2 1.2652438E+06 1.2368096E-06 -5.8419601E-07 2.5856989E-07 -7.9151449E-08 3 2.7261885E+05 9.9609065E-06 -4.7106303E-06 2.0929993E-06 -6.4597231E-07 4 7.1272001E+04 6.9039898E-05 -3.2701960E-05 1.4484319E-05 -4.4357823E-06 5 2.1662368E+04 4.1003451E-04 -1.9454803E-04 8.6464833E-05 -2.6666948E-05 6 7.4933322E+03 2.0508420E-03 -9.7636240E-04 4.3303025E-04 -1.3273638E-04 7 2.8944848E+03 8.6019722E-03 -4.1226579E-03 1.8356648E-03 -5.6610900E-04 8 1.2217449E+03 3.0299671E-02 -1.4731191E-02 6.5616418E-03 -2.0130741E-03 9 5.5268974E+02 8.8304496E-02 -4.4149408E-02 1.9831749E-02 -6.1270258E-03 10 2.6372757E+02 2.0232426E-01 -1.0577642E-01 4.7806621E-02 -1.4692427E-02 11 1.3084652E+02 3.3305241E-01 -1.8463176E-01 8.5012823E-02 -2.6446485E-02 12 6.6861144E+01 3.2961007E-01 -1.7219235E-01 7.6745334E-02 -2.3251712E-02 13 3.4584003E+01 1.4987837E-01 9.4622215E-02 -6.8125336E-02 2.1747278E-02 14 1.7801902E+01 1.9329099E-02 4.7667312E-01 -3.2080697E-01 1.0819746E-01 15 9.3446890E+00 -2.6803798E-04 4.4499337E-01 -3.1690687E-01 1.0123250E-01 16 4.7671019E+00 -1.2038592E-03 1.1548770E-01 2.5140264E-01 -1.0790580E-01 17 2.4002268E+00 -8.1898615E-04 4.4079956E-03 6.3261690E-01 -2.9992264E-01 18 1.1849369E+00 -8.2592347E-04 1.3870995E-03 3.1945156E-01 -1.2893121E-01 19 4.9231549E-01 -8.0378871E-04 -2.8122549E-04 2.8459244E-02 3.9995217E-01 20 2.0747488E-01 -3.8644417E-04 1.4582347E-04 -1.0337258E-03 5.6946193E-01 21 8.2333286E-02 -8.5121897E-04 1.7803374E-05 3.0302912E-04 2.2671539E-01 3d 4d 1 9.5680626E+03 2.1358506E-05 -8.9995755E-06 2 2.5154375E+03 2.6920062E-04 -1.1380150E-04 3 9.0886626E+02 1.9021955E-03 -8.0492143E-04 4 3.8562091E+02 9.5160920E-03 -4.0520422E-03 5 1.8055116E+02 3.5397696E-02 -1.5171261E-02 6 8.9914006E+01 1.0048646E-01 -4.3764416E-02 7 4.6771497E+01 2.1304294E-01 -9.3467801E-02 8 2.4894688E+01 3.2318649E-01 -1.3793147E-01 9 1.3474708E+01 3.2452231E-01 -1.1676339E-01 10 7.3269232E+00 1.7480391E-01 6.6931729E-02 11 3.9299390E+00 4.0107375E-02 3.2306449E-01 12 2.0616717E+00 2.4917757E-03 4.2373630E-01 13 1.0565610E+00 3.7323319E-05 2.7280495E-01 14 5.1278541E-01 -8.7326016E-05 7.6615226E-02 15 2.1522200E-01 -3.6929535E-05 6.5848194E-03 Foldy-Wouthuysen functions -------------------------- 1s 2s 3s 4s 5s 1 7.4842326E+07 8.0645219E-05 -2.8510671E-05 1.2826421E-05 -5.8543575E-06 2.0898469E-06 2 1.9588576E+07 1.8981256E-04 -6.7156045E-05 3.0189183E-05 -1.3766955E-05 4.9037738E-06 3 6.5005892E+06 3.7542383E-04 -1.3301527E-04 5.9887421E-05 -2.7347923E-05 9.7738597E-06 4 2.3660738E+06 6.9933008E-04 -2.4801037E-04 1.1150599E-04 -5.0827964E-05 1.8087153E-05 5 9.2486302E+05 1.2835755E-03 -4.5643780E-04 2.0574569E-04 -9.3986223E-05 3.3619311E-05 6 3.7882078E+05 2.3464901E-03 -8.3583627E-04 3.7621681E-04 -1.7146336E-04 6.0987136E-05 7 1.6170485E+05 4.3417625E-03 -1.5532045E-03 7.0135567E-04 -3.2044240E-04 1.1466801E-04 8 7.1500385E+04 8.1944695E-03 -2.9429997E-03 1.3275457E-03 -6.0520911E-04 2.1527341E-04 9 3.2655217E+04 1.5831175E-02 -5.7353548E-03 2.5955922E-03 -1.1861923E-03 4.2450640E-04 10 1.5356984E+04 3.1021481E-02 -1.1384084E-02 5.1541389E-03 -2.3522079E-03 8.3724557E-04 11 7.4175971E+03 6.0308455E-02 -2.2700954E-02 1.0327174E-02 -4.7239466E-03 1.6900734E-03 12 3.6712961E+03 1.1224084E-01 -4.4146501E-02 2.0195631E-02 -9.2348356E-03 3.2885660E-03 13 1.8580138E+03 1.8980185E-01 -8.1012829E-02 3.7558608E-02 -1.7258198E-02 6.1815084E-03 14 9.5948920E+02 2.6859720E-01 -1.3208473E-01 6.2641752E-02 -2.8864185E-02 1.0287129E-02 15 5.0426997E+02 2.7655354E-01 -1.7013232E-01 8.3895270E-02 -3.9097054E-02 1.4074625E-02 16 2.6819983E+02 1.6506607E-01 -1.0980653E-01 5.6382665E-02 -2.6355864E-02 9.3156299E-03 17 1.4115166E+02 3.7345442E-02 1.5316596E-01 -1.0135245E-01 4.9791713E-02 -1.7743431E-02 18 7.7095437E+01 3.1895038E-04 4.7212119E-01 -3.9044429E-01 2.0479011E-01 -7.5801755E-02 19 4.2337388E+01 7.5528382E-04 4.2287981E-01 -4.6919013E-01 2.5948720E-01 -9.5045836E-02 20 2.3091448E+01 -5.3211875E-04 1.2612444E-01 2.1547143E-02 -1.0139133E-02 -5.8050952E-05 21 1.2981009E+01 2.6654451E-04 6.3855057E-03 6.8418871E-01 -6.2183705E-01 2.6556194E-01 22 7.3238589E+00 -2.0734197E-04 1.9762094E-03 5.1147416E-01 -6.8282684E-01 2.8909795E-01 23 4.0360618E+00 1.1366504E-04 -8.9109755E-04 9.7214139E-02 2.4529890E-01 -1.2719416E-01 24 2.1573514E+00 -5.5882845E-05 2.1132466E-04 4.6968592E-03 8.5406103E-01 -5.8346855E-01 25 1.1432416E+00 2.4585590E-05 -1.5084923E-04 9.8114686E-04 3.7937762E-01 -4.1007949E-01 26 4.8412479E-01 -9.2744272E-06 5.1345218E-05 -1.4691328E-04 2.1500403E-02 4.7684027E-01 27 2.2781926E-01 3.7173300E-06 -1.8070112E-05 -1.3160380E-05 -1.1208079E-03 7.0153746E-01 28 1.0134246E-01 -1.0011364E-06 5.3727244E-06 -1.6436343E-05 5.2371946E-04 1.9892931E-01 2p 3p 4p 5p 1 8.1013156E+06 8.8834259E-06 -4.1576152E-06 1.8420532E-06 -5.6764289E-07 2 1.2652438E+06 3.0446989E-05 -1.4261131E-05 6.3103271E-06 -1.9318812E-06 3 2.7261885E+05 9.5249055E-05 -4.4721039E-05 1.9831606E-05 -6.1185585E-06 4 7.1272001E+04 2.9119100E-04 -1.3717409E-04 6.0745893E-05 -1.8595787E-05 5 2.1662368E+04 9.3059679E-04 -4.4029262E-04 1.9554415E-04 -6.0329811E-05 6 7.4933322E+03 3.1507887E-03 -1.4992243E-03 6.6505069E-04 -2.0377891E-04 7 2.8944848E+03 1.0713577E-02 -5.1408141E-03 2.2895520E-03 -7.0629036E-04 8 1.2217449E+03 3.3905120E-02 -1.6520135E-02 7.3622964E-03 -2.2586304E-03 9 5.5268974E+02 9.3487170E-02 -4.6862992E-02 2.1061644E-02 -6.5080075E-03 10 2.6372757E+02 2.0800958E-01 -1.0902497E-01 4.9300552E-02 -1.5152292E-02 11 1.3084652E+02 3.3710100E-01 -1.8727079E-01 8.6266514E-02 -2.6839671E-02 12 6.6861144E+01 3.3103326E-01 -1.7295160E-01 7.7061588E-02 -2.3343483E-02 13 3.4584003E+01 1.5066394E-01 9.5393014E-02 -6.8697432E-02 2.1932898E-02 14 1.7801902E+01 2.0459369E-02 4.7720703E-01 -3.2144461E-01 1.0843015E-01 15 9.3446890E+00 8.2201338E-04 4.4466805E-01 -3.1682388E-01 1.0119820E-01 16 4.7671019E+00 -2.1819198E-04 1.1527372E-01 2.5180256E-01 -1.0806822E-01 17 2.4002268E+00 8.9596521E-06 4.3392757E-03 6.3275290E-01 -3.0000925E-01 18 1.1849369E+00 -6.3865720E-05 1.3405051E-03 3.1949916E-01 -1.2893514E-01 19 4.9231549E-01 1.8038390E-05 -3.3552953E-04 2.8563208E-02 3.9995247E-01 20 2.0747488E-01 -7.9466596E-06 1.2322559E-04 -9.8240871E-04 5.6945124E-01 21 8.2333286E-02 2.3178383E-06 -3.7190323E-05 4.1948409E-04 2.2669207E-01 3d 4d 1 9.5680626E+03 4.1282087E-05 -1.7401247E-05 2 2.5154375E+03 3.4512198E-04 -1.4583751E-04 3 9.0886626E+02 2.1268874E-03 -9.0030401E-04 4 3.8562091E+02 1.0047710E-02 -4.2796411E-03 5 1.8055116E+02 3.6380898E-02 -1.5598496E-02 6 8.9914006E+01 1.0187799E-01 -4.4387315E-02 7 4.6771497E+01 2.1447604E-01 -9.4120573E-02 8 2.4894688E+01 3.2419308E-01 -1.3838062E-01 9 1.3474708E+01 3.2492529E-01 -1.1688389E-01 10 7.3269232E+00 1.7490783E-01 6.7096092E-02 11 3.9299390E+00 4.0204446E-02 3.2323083E-01 12 2.0616717E+00 2.5697467E-03 4.2380384E-01 13 1.0565610E+00 9.4208656E-05 2.7281453E-01 14 5.1278541E-01 -5.6974138E-05 7.6622207E-02 15 2.1522200E-01 -6.5374480E-06 6.5967567E-03 Exponents of diffuse functions ============================== s p d f In 1.5527177E-02 9.7008839E-03 2.8475179E-02 8.2198505E-02 Sn 2.1076616E-02 1.4687162E-02 3.8485313E-02 8.7485937E-02 Sb 2.5676133E-02 1.9055594E-02 5.0001848E-02 1.1072429E-01 Te 3.0107615E-02 2.3194079E-02 6.2747442E-02 1.4440990E-01 I 3.5002162E-02 2.7237249E-02 7.6963367E-02 1.9717394E-01 Xe 4.0692407E-02 3.1985219E-02 9.4400020E-02 2.6921675E-01 Exponents of correlating functions ================================== 5s5p valence correlating functions ---------------------------------- d d f In 2.3976347E-01 8.8661618E-02 2.6649742E-01 Sn 2.8842500E-01 1.0993873E-01 2.4862676E-01 Sb 3.4329747E-01 1.3492964E-01 2.8988492E-01 Te 4.0228429E-01 1.6178666E-01 3.4378542E-01 I 4.6449966E-01 1.8994027E-01 4.0597700E-01 Xe 5.2959725E-01 2.1906655E-01 4.7672363E-01 4d correlating functions ------------------------ f f g In 3.0213357E+00 1.0048778E+00 2.0400713E+00 Sn 3.3910620E+00 1.1563711E+00 2.2928109E+00 Sb 3.7715121E+00 1.3121789E+00 2.5522094E+00 Te 4.1644642E+00 1.4729437E+00 2.8186898E+00 I 4.5712094E+00 1.6391359E+00 3.0926116E+00 Xe 4.9935654E+00 1.8115954E+00 3.3742905E+00 3d correlating functions ------------------------ f f g In 3.7777217E+01 1.2527136E+01 2.4577434E+01 Sn 4.0041300E+01 1.3320485E+01 2.6080570E+01 Sb 4.2371018E+01 1.4137833E+01 2.7628141E+01 Te 4.4767119E+01 1.4979298E+01 2.9220410E+01 I 4.7229676E+01 1.5845003E+01 3.0857501E+01 Xe 4.9759448E+01 1.6735083E+01 3.2539516E+01 2s2p correlating functions -------------------------- f In 1.4748816E+02 Sn 1.5532118E+02 Sb 1.6324649E+02 Te 1.7113926E+02 I 1.7926415E+02 Xe 1.8749936E+02