****************************************************************************** Indium [Kr]5s(2)4d(10)5p(1) Nuclear Charge = 49.0000000000 Atomic Mass = 115.0000000000 Nuclear Radius = 1.130869D-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.33333333 0.0 1.0 0.0 0.0 0.0 2 0.66666667 0.0 0.0 1.0 0.0 0.0 * Energies Total Energy = -5.88042901664034D+03 Mass Energy = -5.88016371973839D+03 Kinetic Energy = 1.20596223096681D+04 Potential Energy = -1.20598876065701D+04 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.6406096084D+07 1.0000000000D+00 1.0000000000D+00 2 9.0321696470D+06 1.0000000000D+00 1.0000000000D+00 3 2.2938161738D+06 1.0000000000D+00 1.0000000000D+00 4 6.6235928064D+05 1.0000000000D+00 1.0000000000D+00 5 2.1217544630D+05 1.0000000000D+00 1.0000000000D+00 6 7.3771780706D+04 1.0000000000D+00 1.0000000000D+00 7 2.7500754596D+04 1.0000000000D+00 1.0000000000D+00 8 1.0874069499D+04 1.0000000000D+00 1.0000000000D+00 9 4.5225165541D+03 1.0000000000D+00 1.0000000000D+00 10 1.9646803926D+03 1.0000000000D+00 1.0000000000D+00 11 8.8643640214D+02 1.0000000000D+00 1.0000000000D+00 12 4.1364663137D+02 1.0000000000D+00 1.0000000000D+00 13 1.9814322163D+02 1.0000000000D+00 1.0000000000D+00 14 8.8981369692D+01 1.0000000000D+00 1.0000000000D+00 15 4.3731250699D+01 1.0000000000D+00 1.0000000000D+00 16 2.1580694168D+01 1.0000000000D+00 1.0000000000D+00 17 1.0290190032D+01 1.0000000000D+00 1.0000000000D+00 18 5.1693238083D+00 1.0000000000D+00 1.0000000000D+00 19 2.0031314599D+00 1.0000000000D+00 1.0000000000D+00 20 8.7915288989D-01 1.0000000000D+00 1.0000000000D+00 21 1.7074648835D-01 1.0000000000D+00 1.0000000000D+00 22 6.2955726734D-02 1.0000000000D+00 1.0000000000D+00 P- 1 1.9759000088D+06 1.0000000000D+00 1.0000000000D+00 2 2.8721218607D+05 1.0000000000D+00 1.0000000000D+00 3 6.0505893730D+04 1.0000000000D+00 1.0000000000D+00 4 1.5910273444D+04 1.0000000000D+00 1.0000000000D+00 5 4.9642488714D+03 1.0000000000D+00 1.0000000000D+00 6 1.7772552388D+03 1.0000000000D+00 1.0000000000D+00 7 7.0789422956D+02 1.0000000000D+00 1.0000000000D+00 8 3.0564024353D+02 1.0000000000D+00 1.0000000000D+00 9 1.3978757139D+02 1.0000000000D+00 1.0000000000D+00 10 6.6633557729D+01 1.0000000000D+00 1.0000000000D+00 11 3.2484491286D+01 1.0000000000D+00 1.0000000000D+00 12 1.5530261700D+01 1.0000000000D+00 1.0000000000D+00 13 7.5660214043D+00 1.0000000000D+00 1.0000000000D+00 14 3.4686588456D+00 1.0000000000D+00 1.0000000000D+00 15 1.6204740074D+00 1.0000000000D+00 1.0000000000D+00 16 7.0094885080D-01 1.0000000000D+00 1.0000000000D+00 17 1.6772650843D-01 1.0000000000D+00 1.0000000000D+00 18 5.0956314592D-02 1.0000000000D+00 1.0000000000D+00 P+ 1 1.0411194172D+05 1.0000000000D+00 1.0000000000D+00 2 2.2714716307D+04 1.0000000000D+00 1.0000000000D+00 3 6.9655492252D+03 1.0000000000D+00 1.0000000000D+00 4 2.5545521777D+03 1.0000000000D+00 1.0000000000D+00 5 1.0491996475D+03 1.0000000000D+00 1.0000000000D+00 6 4.6576612242D+02 1.0000000000D+00 1.0000000000D+00 7 2.1882768189D+02 1.0000000000D+00 1.0000000000D+00 8 1.0698527070D+02 1.0000000000D+00 1.0000000000D+00 9 5.3875695846D+01 1.0000000000D+00 1.0000000000D+00 10 2.7429829659D+01 1.0000000000D+00 1.0000000000D+00 11 1.3793726500D+01 1.0000000000D+00 1.0000000000D+00 12 7.0463561319D+00 1.0000000000D+00 1.0000000000D+00 13 3.4594237140D+00 1.0000000000D+00 1.0000000000D+00 14 1.6802213424D+00 1.0000000000D+00 1.0000000000D+00 15 7.6992866074D-01 1.0000000000D+00 1.0000000000D+00 16 2.8298731599D-01 1.0000000000D+00 1.0000000000D+00 17 1.0420258697D-01 1.0000000000D+00 1.0000000000D+00 18 3.7079396203D-02 1.0000000000D+00 1.0000000000D+00 D- 1 2.6764738558D+03 1.0000000000D+00 1.0000000000D+00 2 7.2016983890D+02 1.0000000000D+00 1.0000000000D+00 3 2.6341188451D+02 1.0000000000D+00 1.0000000000D+00 4 1.1169726824D+02 1.0000000000D+00 1.0000000000D+00 5 5.1431974529D+01 1.0000000000D+00 1.0000000000D+00 6 2.4866961367D+01 1.0000000000D+00 1.0000000000D+00 7 1.2267192780D+01 1.0000000000D+00 1.0000000000D+00 8 6.1165072580D+00 1.0000000000D+00 1.0000000000D+00 9 2.9534469188D+00 1.0000000000D+00 1.0000000000D+00 10 1.3654290807D+00 1.0000000000D+00 1.0000000000D+00 11 5.9791370465D-01 1.0000000000D+00 1.0000000000D+00 12 2.3703465625D-01 1.0000000000D+00 1.0000000000D+00 D+ 1 1.8759003104D+03 1.0000000000D+00 1.0000000000D+00 2 5.5868271285D+02 1.0000000000D+00 1.0000000000D+00 3 2.1560253477D+02 1.0000000000D+00 1.0000000000D+00 4 9.4374585701D+01 1.0000000000D+00 1.0000000000D+00 5 4.4446381839D+01 1.0000000000D+00 1.0000000000D+00 6 2.1791888682D+01 1.0000000000D+00 1.0000000000D+00 7 1.0885425234D+01 1.0000000000D+00 1.0000000000D+00 8 5.4761899050D+00 1.0000000000D+00 1.0000000000D+00 9 2.6697415938D+00 1.0000000000D+00 1.0000000000D+00 10 1.2426187694D+00 1.0000000000D+00 1.0000000000D+00 11 5.4884264700D-01 1.0000000000D+00 1.0000000000D+00 12 2.1982026412D-01 1.0000000000D+00 1.0000000000D+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -1.0327690D+03 -1.5793446D+02 -3.1404888D+01 -5.3081978D+00 -3.9611593D-01 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 3.8225078D-05 -1.3079969D-05 -5.7501770D-06 2.4700085D-06 -6.8732821D-07 2 1.1402640D-04 -3.9140245D-05 -1.7217907D-05 7.3912600D-06 -2.0565668D-06 3 3.1368236D-04 -1.0801921D-04 -4.7524605D-05 2.0425935D-05 -5.6844280D-06 4 8.2572158D-04 -2.8603264D-04 -1.2600766D-04 5.4078025D-05 -1.5046325D-05 5 2.1675042D-03 -7.5466307D-04 -3.3247259D-04 1.4304385D-04 -3.9814866D-05 6 5.6735597D-03 -1.9929433D-03 -8.7992415D-04 3.7743219D-04 -1.0500684D-04 7 1.4683618D-02 -5.1998405D-03 -2.2956522D-03 9.8927090D-04 -2.7542377D-04 8 3.6796203D-02 -1.3293206D-02 -5.8952278D-03 2.5274501D-03 -7.0313254D-04 9 8.6496562D-02 -3.2243050D-02 -1.4336200D-02 6.1971355D-03 -1.7262215D-03 10 1.8003153D-01 -7.2463071D-02 -3.2674728D-02 1.4024400D-02 -3.9025181D-03 11 3.0002138D-01 -1.3885501D-01 -6.3767597D-02 2.7848319D-02 -7.7704609D-03 12 3.2762387D-01 -1.9967853D-01 -9.6455558D-02 4.1644811D-02 -1.1602017D-02 13 1.6897296D-01 -9.7860269D-02 -4.8116831D-02 2.2529449D-02 -6.3561187D-03 14 2.1224090D-02 3.4448736D-01 2.3277006D-01 -1.1287651D-01 3.2066241D-02 15 -1.5937883D-03 5.8978909D-01 5.7192050D-01 -2.8008690D-01 7.9760197D-02 16 7.8604172D-04 2.2940080D-01 1.6283375D-01 -1.0775014D-01 3.2619059D-02 17 -4.5222874D-04 1.2868405D-02 -7.6078461D-01 6.4340270D-01 -2.0358382D-01 18 1.8123126D-04 9.6618187D-04 -5.4267944D-01 5.9953976D-01 -1.9618156D-01 19 -6.0058452D-05 -4.0569165D-04 -4.1948929D-02 -7.9642441D-01 3.5240881D-01 20 2.4033056D-05 5.0293586D-05 3.0308259D-03 -6.4033608D-01 3.9963158D-01 21 -5.2938517D-06 -2.0602943D-05 -7.9496294D-04 -2.1100599D-02 -6.6626085D-01 22 2.1757883D-06 8.5292186D-06 3.1481366D-04 5.3855891D-03 -5.3327539D-01 *** Small Component *** 23 8.0406455D-05 -2.7447468D-05 -1.2059070D-05 5.1845385D-06 -1.4428876D-06 24 2.8583118D-04 -9.7692279D-05 -4.2959564D-05 1.8422733D-05 -5.1251889D-06 25 6.9632609D-04 -2.3775043D-04 -1.0444657D-04 4.4924446D-05 -1.2503577D-05 26 1.5677102D-03 -5.3643138D-04 -2.3596954D-04 1.0113743D-04 -2.8134028D-05 27 3.2662154D-03 -1.1170697D-03 -4.9077900D-04 2.1123212D-04 -5.8796995D-05 28 6.4368392D-03 -2.2129080D-03 -9.7429078D-04 4.1734978D-04 -1.1608723D-04 29 1.2007955D-02 -4.1466652D-03 -1.8239946D-03 7.8592651D-04 -2.1880299D-04 30 2.1113434D-02 -7.4284907D-03 -3.2826951D-03 1.4057339D-03 -3.9099671D-04 31 3.4323843D-02 -1.2454617D-02 -5.5169442D-03 2.3838287D-03 -6.6396598D-04 32 4.9161602D-02 -1.9280461D-02 -8.6642023D-03 3.7154088D-03 -1.0337144D-03 33 5.6465486D-02 -2.5502845D-02 -1.1675714D-02 5.0965819D-03 -1.4219684D-03 34 4.2738700D-02 -2.5483627D-02 -1.2280451D-02 5.2993570D-03 -1.4762418D-03 35 1.5368028D-02 -8.8306421D-03 -4.3546719D-03 2.0375593D-03 -5.7478882D-04 36 1.2975827D-03 2.0444685D-02 1.3757178D-02 -6.6675755D-03 1.8939586D-03 37 -6.8766193D-05 2.4704438D-02 2.3880674D-02 -1.1689837D-02 3.3286692D-03 38 2.3792524D-05 6.7541011D-03 4.7993738D-03 -3.1754202D-03 9.6120127D-04 39 -9.4434792D-06 2.6389268D-04 -1.5420116D-02 1.3032635D-02 -4.1233147D-03 40 2.6985251D-06 1.2873743D-05 -7.8038376D-03 8.6173311D-03 -2.8198124D-03 41 -5.6003508D-07 -3.2589908D-06 -3.7512504D-04 -7.1233471D-03 3.1516262D-03 42 1.4903959D-07 1.5614282D-07 1.7844895D-05 -3.7947640D-03 2.3681015D-03 43 -1.4839203D-08 -2.1102566D-08 -2.0476124D-06 -5.5107035D-05 -1.7398574D-03 44 3.8206882D-09 -8.2512266D-10 4.8648442D-07 8.5402644D-06 -8.4560879D-04 2P- 3P- 4P- 5P- -1.4682959D+02 -2.6878267D+01 -3.7524732D+00 -2.0077204D-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 7.0117355D-05 -3.2028107D-05 -1.3126328D-05 2.6539558D-06 2 2.2481086D-04 -1.0273030D-04 -4.2100827D-05 8.5066835D-06 3 6.5544451D-04 -2.9970584D-04 -1.2288134D-04 2.4874499D-05 4 1.9221802D-03 -8.8170269D-04 -3.6144656D-04 7.2877117D-05 5 6.1099884D-03 -2.8139973D-03 -1.1559684D-03 2.3475480D-04 6 2.0296173D-02 -9.4591470D-03 -3.8871206D-03 7.8170565D-04 7 6.3507013D-02 -3.0162975D-02 -1.2469224D-02 2.5407121D-03 8 1.6647648D-01 -8.2437538D-02 -3.4250469D-02 6.8792146D-03 9 3.2205114D-01 -1.6820236D-01 -7.0961670D-02 1.4578410D-02 10 3.8063873D-01 -2.0443377D-01 -8.5980216D-02 1.6970740D-02 11 2.0148796D-01 2.9056036D-02 2.8255055D-02 -5.0991654D-03 12 2.9675947D-02 4.7325374D-01 2.8207822D-01 -6.2653386D-02 13 4.4814532D-04 4.9956763D-01 3.2209494D-01 -6.3777629D-02 14 7.3933314D-05 1.1074820D-01 -2.7465988D-01 6.5438084D-02 15 -9.5377949D-05 -1.1777218D-03 -6.4485317D-01 1.9657742D-01 16 -9.7784391D-06 1.8323001D-03 -2.9018082D-01 3.4271041D-02 17 -2.0201353D-06 -3.0023294D-04 -1.2291582D-02 -5.1735575D-01 18 6.2908185D-07 9.8472224D-05 1.6999856D-03 -6.0187650D-01 *** Small Component *** 19 1.6959517D-05 -7.7497134D-06 -3.1785824D-06 6.4512076D-07 20 6.7267076D-05 -3.0825310D-05 -1.2627149D-05 2.5380579D-06 21 2.3068162D-04 -1.0567210D-04 -4.3383808D-05 8.8296562D-06 22 7.4011964D-04 -3.4063002D-04 -1.3961905D-04 2.8036270D-05 23 2.1666839D-03 -9.9922391D-04 -4.1076257D-04 8.3627999D-05 24 5.6135527D-03 -2.6191602D-03 -1.0762843D-03 2.1617072D-04 25 1.2520927D-02 -5.9490788D-03 -2.4597426D-03 5.0150862D-04 26 2.2741640D-02 -1.1269311D-02 -4.6823723D-03 9.4016483D-04 27 3.0438267D-02 -1.5916417D-02 -6.7163503D-03 1.3801151D-03 28 2.5042668D-02 -1.3490113D-02 -5.6768901D-03 1.1203884D-03 29 9.1952748D-03 1.3710955D-03 1.3148444D-03 -2.3715789D-04 30 8.3934183D-04 1.5221140D-02 9.0646037D-03 -2.0131609D-03 31 -5.6397010D-05 1.1220031D-02 7.2319309D-03 -1.4321138D-03 32 -4.2615665D-05 1.6866657D-03 -4.1676367D-03 9.9296927D-04 33 -1.9793104D-05 -1.1088551D-05 -6.6953892D-03 2.0411225D-03 34 -1.8558265D-05 1.3686824D-05 -1.9800580D-03 2.3376432D-04 35 -7.7163898D-06 -5.2225634D-07 -4.0152470D-05 -1.7287817D-03 36 -2.9677512D-06 3.6773277D-07 3.4874818D-06 -1.1085277D-03 2P+ 3P+ 4P+ 5P+ -1.3904422D+02 -2.5429274D+01 -3.4967803D+00 -1.9143034D-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 3.9942473D-05 -1.8466914D-05 7.5473881D-06 1.4974155D-06 2 3.0741123D-04 -1.4233545D-04 5.8334447D-05 1.1565697D-05 3 1.7022096D-03 -7.9064598D-04 3.2334596D-04 6.4163931D-05 4 7.5241645D-03 -3.5151543D-03 1.4431895D-03 2.8619383D-04 5 2.7556947D-02 -1.3048559D-02 5.3553998D-03 1.0632525D-03 6 8.3329083D-02 -4.0517669D-02 1.6764878D-02 3.3278956D-03 7 1.9793413D-01 -1.0056744D-01 4.1815894D-02 8.3181258D-03 8 3.3739435D-01 -1.8192316D-01 7.7023406D-02 1.5330411D-02 9 3.4412758D-01 -1.7989200D-01 7.4423460D-02 1.4817407D-02 10 1.5904141D-01 8.1614888D-02 -5.4040285D-02 -1.1409472D-02 11 2.1419270D-02 4.7450016D-01 -2.8466608D-01 -5.9383751D-02 12 8.2366375D-04 4.6010920D-01 -3.0177335D-01 -6.3773699D-02 13 -1.3371902D-04 1.1444920D-01 2.2448449D-01 6.2011392D-02 14 -1.1306576D-05 2.9049254D-03 6.0733146D-01 1.5688365D-01 15 -4.8359998D-05 1.6495357D-03 3.5454436D-01 1.1004249D-01 16 8.4005060D-06 -3.3053322D-04 3.6083592D-02 -1.8122728D-01 17 -4.2308506D-06 1.3759419D-04 -2.1391587D-03 -5.7090460D-01 18 1.3904263D-06 -4.5251998D-05 8.5413158D-04 -4.0960924D-01 *** Small Component *** 19 6.1746657D-05 -2.8467918D-05 1.1622044D-05 2.3060573D-06 20 2.9062924D-04 -1.3407414D-04 5.4927719D-05 1.0888283D-05 21 1.0069020D-03 -4.6588049D-04 1.9035983D-04 3.7772689D-05 22 2.8765486D-03 -1.3386604D-03 5.4925492D-04 1.0890720D-04 23 6.9987016D-03 -3.3017366D-03 1.3541112D-03 2.6882239D-04 24 1.4391867D-02 -6.9739557D-03 2.8838613D-03 5.7240487D-04 25 2.3696841D-02 -1.2004161D-02 4.9886193D-03 9.9228393D-04 26 2.8415574D-02 -1.5283576D-02 6.4681449D-03 1.2873165D-03 27 2.0635761D-02 -1.0770924D-02 4.4560070D-03 8.8717803D-04 28 6.8142278D-03 3.4689352D-03 -2.2974925D-03 -4.8508651D-04 29 6.5112356D-04 1.4372185D-02 -8.6181842D-03 -1.7977133D-03 30 1.7810180D-05 9.9687306D-03 -6.5361115D-03 -1.3812707D-03 31 -2.0033710D-06 1.7377189D-03 3.4052460D-03 9.4062250D-04 32 -1.3453171D-07 3.0758607D-05 6.4229980D-03 1.6590693D-03 33 -3.4031113D-07 1.1802717D-05 2.5383014D-03 7.8779040D-04 34 3.4206932D-08 -1.4312061D-06 1.5662312D-04 -7.8653508D-04 35 -1.0168394D-08 3.6077251D-07 -5.6359609D-06 -1.5035670D-03 36 1.8643124D-09 -7.0540076D-08 1.3424708D-06 -6.4351297D-04 3D- 4D- -1.7513410D+01 -1.0317321D+00 ------------ ------------ *** Large Component *** 1 3.1636362D-04 -1.1324167D-04 2 2.7076861D-03 -9.6586947D-04 3 1.5465160D-02 -5.5792026D-03 4 6.0903841D-02 -2.2054187D-02 5 1.6970192D-01 -6.2824338D-02 6 3.1858763D-01 -1.1557931D-01 7 3.8220097D-01 -1.2967856D-01 8 2.3538008D-01 1.0746765D-02 9 5.2463815D-02 2.9978931D-01 10 1.9771862D-03 4.4712972D-01 11 3.2635444D-04 3.3157204D-01 12 -7.6785792D-05 1.0089103D-01 *** Small Component *** 13 1.0655804D-04 -3.8203633D-05 14 6.2046775D-04 -2.2125223D-04 15 2.3107538D-03 -8.3374705D-04 16 6.0947377D-03 -2.2068989D-03 17 1.1648548D-02 -4.3127961D-03 18 1.5276395D-02 -5.5431700D-03 19 1.2896835D-02 -4.3772965D-03 20 5.6101216D-03 2.5603143D-04 21 8.6581421D-04 4.9719302D-03 22 2.0356050D-05 5.0430275D-03 23 1.7186652D-06 2.4748214D-03 24 -7.0449789D-07 4.7406664D-04 3D+ 4D+ -1.7220463D+01 -9.9652585D-01 ------------ ------------ *** Large Component *** 1 3.8410037D-04 -1.3661454D-04 2 3.5846634D-03 -1.2735776D-03 3 1.9819886D-02 -7.1081601D-03 4 7.3706278D-02 -2.6635868D-02 5 1.9182574D-01 -7.0614018D-02 6 3.3460748D-01 -1.2013046D-01 7 3.6990154D-01 -1.2022498D-01 8 2.0304145D-01 4.3190076D-02 9 3.9587033D-02 3.1984608D-01 10 1.4309800D-03 4.3822575D-01 11 1.9332043D-04 3.1144390D-01 12 -4.1477383D-05 9.1160728D-02 *** Small Component *** 13 1.4944334D-04 -5.3131050D-05 14 7.9332583D-04 -2.8169104D-04 15 2.7697821D-03 -9.9290399D-04 16 6.8677445D-03 -2.4807911D-03 17 1.2313789D-02 -4.5313326D-03 18 1.5065562D-02 -5.4073262D-03 19 1.1780141D-02 -3.8282458D-03 20 4.5882994D-03 9.7438848D-04 21 6.2459141D-04 5.0443742D-03 22 1.5434200D-05 4.7156488D-03 23 1.3706079D-06 2.2273783D-03 24 -1.8409451D-07 4.1260353D-04 * Radial Moments Sym Orb S+ 1 5.78888D+03 5.18586D+01 2.97057D-02 1.19409D-03 6.06113D-05 3.72191D-06 2 6.64442D+02 1.20234D+01 1.27925D-01 1.93605D-02 3.33784D-03 6.48616D-04 3 1.30189D+02 4.25007D+00 3.46462D-01 1.37351D-01 6.01259D-02 2.88420D-02 4 2.46471D+01 1.61726D+00 8.52631D-01 8.22040D-01 8.71709D-01 1.01224D+00 5 2.03303D+00 4.68552D-01 2.72358D+00 8.53326D+00 3.02716D+01 1.20650D+02 P- 1 2.13003D+02 1.19667D+01 1.08557D-01 1.44860D-02 2.29814D-03 4.23594D-04 2 4.15978D+01 4.14757D+00 3.38177D-01 1.32894D-01 5.83213D-02 2.83334D-02 3 7.46182D+00 1.49756D+00 9.08156D-01 9.42537D-01 1.08823D+00 1.39241D+00 4 3.91458D-01 3.45095D-01 3.64506D+00 1.54282D+01 7.42963D+01 4.00421D+02 P+ 1 1.70400D+02 1.11845D+01 1.13786D-01 1.57876D-02 2.59390D-03 4.94030D-04 2 3.36394D+01 3.95994D+00 3.48880D-01 1.41246D-01 6.38245D-02 3.19080D-02 3 6.08384D+00 1.44128D+00 9.36252D-01 1.00197D+00 1.19356D+00 1.57609D+00 4 3.20309D-01 3.30785D-01 3.80126D+00 1.68624D+01 8.58259D+01 4.94628D+02 D- 1 1.81076D+01 3.78992D+00 3.21205D-01 1.22477D-01 5.43885D-02 2.77097D-02 2 2.46138D+00 1.14757D+00 1.15818D+00 1.59686D+00 2.56731D+00 4.78662D+00 D+ 1 1.75501D+01 3.74090D+00 3.24672D-01 1.24990D-01 5.60011D-02 2.87746D-02 2 2.36795D+00 1.12998D+00 1.17488D+00 1.64456D+00 2.68738D+00 5.09922D+00 ****************************************************************************** Tin [Kr]5s(2)4d(10)5p(2) Nuclear Charge = 50.0000000000 Atomic Mass = 120.0000000000 Nuclear Radius = 1.145040d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.06666667 0.0 2.0 0.0 0.0 0.0 2 0.53333333 0.0 1.0 1.0 0.0 0.0 3 0.40000000 0.0 0.0 2.0 0.0 0.0 * Energies Total Energy = -6.17612530747927d+03 Mass Energy = -6.17582232199016d+03 Kinetic Energy = 1.26794867746657d+04 Potential Energy = -1.26797897601548d+04 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.6383383218d+07 1.0000000000d+00 1.0000000000d+00 2 9.2009750130d+06 1.0000000000d+00 1.0000000000d+00 3 2.3756556973d+06 1.0000000000d+00 1.0000000000d+00 4 6.9412374648d+05 1.0000000000d+00 1.0000000000d+00 5 2.2432205782d+05 1.0000000000d+00 1.0000000000d+00 6 7.8477910022d+04 1.0000000000d+00 1.0000000000d+00 7 2.9389573401d+04 1.0000000000d+00 1.0000000000d+00 8 1.1661247812d+04 1.0000000000d+00 1.0000000000d+00 9 4.8603670517d+03 1.0000000000d+00 1.0000000000d+00 10 2.1140628192d+03 1.0000000000d+00 1.0000000000d+00 11 9.5462172934d+02 1.0000000000d+00 1.0000000000d+00 12 4.4566322044d+02 1.0000000000d+00 1.0000000000d+00 13 2.1338274974d+02 1.0000000000d+00 1.0000000000d+00 14 9.5736146263d+01 1.0000000000d+00 1.0000000000d+00 15 4.7256973274d+01 1.0000000000d+00 1.0000000000d+00 16 2.3500918467d+01 1.0000000000d+00 1.0000000000d+00 17 1.1083917666d+01 1.0000000000d+00 1.0000000000d+00 18 5.5800413269d+00 1.0000000000d+00 1.0000000000d+00 19 2.1844343672d+00 1.0000000000d+00 1.0000000000d+00 20 9.7797372333d-01 1.0000000000d+00 1.0000000000d+00 21 2.0732227810d-01 1.0000000000d+00 1.0000000000d+00 22 7.8021776152d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.1805759790d+06 1.0000000000d+00 1.0000000000d+00 2 3.1744797533d+05 1.0000000000d+00 1.0000000000d+00 3 6.6782533986d+04 1.0000000000d+00 1.0000000000d+00 4 1.7499259382d+04 1.0000000000d+00 1.0000000000d+00 5 5.4308401906d+03 1.0000000000d+00 1.0000000000d+00 6 1.9329715437d+03 1.0000000000d+00 1.0000000000d+00 7 7.6595350991d+02 1.0000000000d+00 1.0000000000d+00 8 3.2927573318d+02 1.0000000000d+00 1.0000000000d+00 9 1.5010876865d+02 1.0000000000d+00 1.0000000000d+00 10 7.1393715283d+01 1.0000000000d+00 1.0000000000d+00 11 3.4776841271d+01 1.0000000000d+00 1.0000000000d+00 12 1.6605302279d+01 1.0000000000d+00 1.0000000000d+00 13 8.0988089839d+00 1.0000000000d+00 1.0000000000d+00 14 3.7186311937d+00 1.0000000000d+00 1.0000000000d+00 15 1.7507417965d+00 1.0000000000d+00 1.0000000000d+00 16 7.7500514662d-01 1.0000000000d+00 1.0000000000d+00 17 2.0776298948d-01 1.0000000000d+00 1.0000000000d+00 18 6.5754474874d-02 1.0000000000d+00 1.0000000000d+00 P+ 1 1.0760797492d+05 1.0000000000d+00 1.0000000000d+00 2 2.3484700460d+04 1.0000000000d+00 1.0000000000d+00 3 7.2112277832d+03 1.0000000000d+00 1.0000000000d+00 4 2.6451143899d+03 1.0000000000d+00 1.0000000000d+00 5 1.0860521895d+03 1.0000000000d+00 1.0000000000d+00 6 4.8230049746d+02 1.0000000000d+00 1.0000000000d+00 7 2.2682529350d+02 1.0000000000d+00 1.0000000000d+00 8 1.1107430017d+02 1.0000000000d+00 1.0000000000d+00 9 5.6050451705d+01 1.0000000000d+00 1.0000000000d+00 10 2.8606043897d+01 1.0000000000d+00 1.0000000000d+00 11 1.4442844030d+01 1.0000000000d+00 1.0000000000d+00 12 7.4141715356d+00 1.0000000000d+00 1.0000000000d+00 13 3.6606379732d+00 1.0000000000d+00 1.0000000000d+00 14 1.7844043978d+00 1.0000000000d+00 1.0000000000d+00 15 8.2611086325d-01 1.0000000000d+00 1.0000000000d+00 16 2.9298276256d-01 1.0000000000d+00 1.0000000000d+00 17 1.1679180830d-01 1.0000000000d+00 1.0000000000d+00 18 4.4265149690d-02 1.0000000000d+00 1.0000000000d+00 D- 1 3.0374464079d+03 1.0000000000d+00 1.0000000000d+00 2 8.1377430232d+02 1.0000000000d+00 1.0000000000d+00 3 2.9656709565d+02 1.0000000000d+00 1.0000000000d+00 4 1.2559095107d+02 1.0000000000d+00 1.0000000000d+00 5 5.7800530075d+01 1.0000000000d+00 1.0000000000d+00 6 2.7978796006d+01 1.0000000000d+00 1.0000000000d+00 7 1.3831306977d+01 1.0000000000d+00 1.0000000000d+00 8 6.9250056911d+00 1.0000000000d+00 1.0000000000d+00 9 3.3721688720d+00 1.0000000000d+00 1.0000000000d+00 10 1.5789655922d+00 1.0000000000d+00 1.0000000000d+00 11 7.0425868780d-01 1.0000000000d+00 1.0000000000d+00 12 2.8383077455d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 2.1226335190d+03 1.0000000000d+00 1.0000000000d+00 2 6.3102533012d+02 1.0000000000d+00 1.0000000000d+00 3 2.4341573475d+02 1.0000000000d+00 1.0000000000d+00 4 1.0664032323d+02 1.0000000000d+00 1.0000000000d+00 5 5.0252802855d+01 1.0000000000d+00 1.0000000000d+00 6 2.4698825118d+01 1.0000000000d+00 1.0000000000d+00 7 1.2370207327d+01 1.0000000000d+00 1.0000000000d+00 8 6.2545012024d+00 1.0000000000d+00 1.0000000000d+00 9 3.0739202057d+00 1.0000000000d+00 1.0000000000d+00 10 1.4487315031d+00 1.0000000000d+00 1.0000000000d+00 11 6.5132406294d-01 1.0000000000d+00 1.0000000000d+00 12 2.6462319001d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -1.0793245d+03 -1.6631735d+02 -3.3564147d+01 -5.8878231d+00 -5.0971427d-01 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 4.0984945d-05 -1.4079359d-05 -6.2185252d-06 2.7064317d-06 -8.1351373d-07 2 1.1998892d-04 -4.1349654d-05 -1.8275905d-05 7.9491718d-06 -2.3892687d-06 3 3.2532756d-04 -1.1247706d-04 -4.9717490d-05 2.1650153d-05 -6.5081903d-06 4 8.4372696d-04 -2.9345072d-04 -1.2989330d-04 5.6484573d-05 -1.6977412d-05 5 2.1840446d-03 -7.6363102d-04 -3.3799920d-04 1.4733530d-04 -4.4295813d-05 6 5.6454318d-03 -1.9915947d-03 -8.8361368d-04 3.8406130d-04 -1.1543422d-04 7 1.4450793d-02 -5.1402517d-03 -2.2799455d-03 9.9540024d-04 -2.9932393d-04 8 3.5928506d-02 -1.3032826d-02 -5.8082677d-03 2.5234814d-03 -7.5847703d-04 9 8.4153844d-02 -3.1473869d-02 -1.4056661d-02 6.1555612d-03 -1.8518215d-03 10 1.7533633d-01 -7.0627027d-02 -3.1994638d-02 1.3917237d-02 -4.1846222d-03 11 2.9470045d-01 -1.3587745d-01 -6.2610409d-02 2.7690619d-02 -8.3433280d-03 12 3.2919264d-01 -1.9829387d-01 -9.6093993d-02 4.2065726d-02 -1.2669308d-02 13 1.7781082d-01 -1.0726764d-01 -5.2991660d-02 2.4922092d-02 -7.5708506d-03 14 2.4262070d-02 3.2317735d-01 2.1756460d-01 -1.0687023d-01 3.2772946d-02 15 -1.9799185d-03 5.9004961d-01 5.6759070d-01 -2.8172918d-01 8.6860664d-02 16 1.0016697d-03 2.4840078d-01 1.9790461d-01 -1.2752009d-01 4.1265235d-02 17 -5.5956667d-04 1.6923884d-02 -7.4557469d-01 6.3478513d-01 -2.1722530d-01 18 2.3692234d-04 3.2398090d-04 -5.6560116d-01 6.3679150d-01 -2.2795832d-01 19 -8.3145545d-05 -2.3733566d-04 -4.6744009d-02 -7.7810052d-01 3.7826933d-01 20 3.3878739d-05 -1.0746695d-05 3.5937032d-03 -6.6672808d-01 4.5559277d-01 21 -7.8745216d-06 -7.1845861d-06 -9.1524124d-04 -2.3786870d-02 -7.0339421d-01 22 3.1386614d-06 3.3229857d-06 3.5826492d-04 5.5728274d-03 -5.2446975d-01 *** Small Component *** 23 8.4034711d-05 -2.8797862d-05 -1.2710883d-05 5.5367324d-06 -1.6643984d-06 24 2.9646224d-04 -1.0171683d-04 -4.4942606d-05 1.9528301d-05 -5.8689140d-06 25 7.1424070d-04 -2.4482201d-04 -1.0804806d-04 4.7085133d-05 -1.4154921d-05 26 1.5967496d-03 -5.4847835d-04 -2.4242756d-04 1.0528286d-04 -3.1639385d-05 27 3.3069605d-03 -1.1354496d-03 -5.0113523d-04 2.1852290d-04 -6.5697816d-05 28 6.4907997d-03 -2.2399348d-03 -9.9095703d-04 4.3013039d-04 -1.2925612d-04 29 1.2065771d-02 -4.1822693d-03 -1.8479591d-03 8.0668254d-04 -2.4255770d-04 30 2.1177860d-02 -7.4748472d-03 -3.3190907d-03 1.4402716d-03 -4.3281841d-04 31 3.4456696d-02 -1.2531341d-02 -5.5746903d-03 2.4401137d-03 -7.3399840d-04 32 4.9550166d-02 -1.9426247d-02 -8.7688824d-03 3.8107078d-03 -1.1456214d-03 33 5.7511833d-02 -2.5849074d-02 -1.1872094d-02 5.2480120d-03 -1.5810919d-03 34 4.4582438d-02 -2.6244305d-02 -1.2685630d-02 5.5501011d-03 -1.6714125d-03 35 1.6795047d-02 -1.0030785d-02 -4.9669549d-03 2.3347442d-03 -7.0922459d-04 36 1.5403129d-03 1.9878939d-02 1.3323186d-02 -6.5407310d-03 2.0055518d-03 37 -8.8839592d-05 2.5692056d-02 2.4631643d-02 -1.2220053d-02 3.7672829d-03 38 3.1649503d-05 7.6331229d-03 6.0836329d-03 -3.9197636d-03 1.2683685d-03 39 -1.2133462d-05 3.5967207d-04 -1.5682481d-02 1.3343070d-02 -4.5654938d-03 40 3.6625765d-06 3.6870530d-06 -8.4508497d-03 9.5094929d-03 -3.4042226d-03 41 -8.0762902d-07 -1.7881317d-06 -4.3649442d-04 -7.2675009d-03 3.5325803d-03 42 2.2080270d-07 -2.3643141d-07 2.2308779d-05 -4.1673584d-03 2.8474060d-03 43 -2.4044145d-08 2.0288290d-08 -2.5942288d-06 -6.8457569d-05 -2.0240204d-03 44 6.0120362d-09 -1.1713631d-08 6.1513451d-07 9.8393026d-06 -9.2582772d-04 2P- 3P- 4P- 5P- -1.5488510d+02 -2.8876344d+01 -4.2505311d+00 -2.5694834d-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 7.1130412d-05 -3.2679864d-05 -1.3627573d-05 3.2109246d-06 2 2.2741232d-04 -1.0452343d-04 -4.3584869d-05 1.0263522d-05 3 6.5875678d-04 -3.0295804d-04 -1.2638344d-04 2.9810163d-05 4 1.9082798d-03 -8.8036204d-04 -3.6721727d-04 8.6309569d-05 5 5.9782689d-03 -2.7687289d-03 -1.1571927d-03 2.7376977d-04 6 1.9679818d-02 -9.2229971d-03 -3.8565115d-03 9.0422776d-04 7 6.1553370d-02 -2.9378149d-02 -1.2355886d-02 2.9327994d-03 8 1.6245928d-01 -8.0817637d-02 -3.4165817d-02 8.0029322d-03 9 3.1806116d-01 -1.6675638d-01 -7.1573379d-02 1.7125094d-02 10 3.8271690d-01 -2.0730716d-01 -8.8848287d-02 2.0497447d-02 11 2.0820054d-01 1.9812033d-02 2.4370857d-02 -5.1269852d-03 12 3.1929934d-02 4.6909368d-01 2.8591940d-01 -7.4153690d-02 13 3.1988543d-04 5.0543733d-01 3.3237974d-01 -7.7450801d-02 14 1.4463262d-04 1.1424061d-01 -2.7669658d-01 7.8981713d-02 15 -1.3554037d-04 -1.4601420d-03 -6.4843527d-01 2.3568949d-01 16 3.5536469d-06 2.0294459d-03 -2.8449062d-01 3.6728513d-02 17 -4.9741789d-06 -3.8076470d-04 -1.2432227d-02 -5.6496466d-01 18 1.7232714d-06 1.1696193d-04 1.2337331d-03 -5.5778100d-01 *** Small Component *** 19 1.7391123d-05 -7.9926663d-06 -3.3353965d-06 7.8863459d-07 20 6.8253373d-05 -3.1461791d-05 -1.3114036d-05 3.0732783d-06 21 2.3137648d-04 -1.0659785d-04 -4.4527104d-05 1.0556309d-05 22 7.3668393d-04 -3.4108003d-04 -1.4225906d-04 3.3305729d-05 23 2.1529539d-03 -9.9853495d-04 -4.1764632d-04 9.9052733d-05 24 5.5901792d-03 -2.6231591d-03 -1.0968440d-03 2.5685424d-04 25 1.2534538d-02 -5.9848767d-03 -2.5175859d-03 5.9795345d-04 26 2.2962222d-02 -1.1431256d-02 -4.8329152d-03 1.1317045d-03 27 3.1106989d-02 -1.6329095d-02 -7.0102109d-03 1.6776797d-03 28 2.6046390d-02 -1.4151640d-02 -6.0687331d-03 1.3999452d-03 29 9.8281589d-03 9.7578097d-04 1.1739320d-03 -2.4677781d-04 30 9.3702586d-04 1.5600692d-02 9.4999939d-03 -2.4635491d-03 31 -6.4906345d-05 1.1745108d-02 7.7212544d-03 -1.7993600d-03 32 -4.4937138d-05 1.8014947d-03 -4.3467827d-03 1.2408225d-03 33 -2.1964192d-05 -1.4547674d-05 -6.9978250d-03 2.5436595d-03 34 -1.9565005d-05 1.5790906d-05 -2.0410956d-03 2.6339848d-04 35 -8.3823819d-06 -9.0656013d-07 -4.5210308d-05 -2.1011427d-03 36 -3.8957246d-06 4.8389736d-07 3.0623848d-06 -1.1670125d-03 2P+ 3P+ 4P+ 5P+ -1.4637190d+02 -2.7275930d+01 -3.9600347d+00 -2.4107396d-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 4.1426478d-05 -1.9276708d-05 -8.0216804d-06 1.8489030d-06 2 3.1582294d-04 -1.4719144d-04 -6.1423941d-05 1.4205374d-05 3 1.7372470d-03 -8.1222964d-04 -3.3822363d-04 7.7943034d-05 4 7.6614737d-03 -3.6033433d-03 -1.5064480d-03 3.4851923d-04 5 2.8000115d-02 -1.3348891d-02 -5.5790050d-03 1.2862427d-03 6 8.4351109d-02 -4.1306703d-02 -1.7407629d-02 4.0327609d-03 7 1.9940442d-01 -1.0205554d-01 -4.3224282d-02 9.9793405d-03 8 3.3786398d-01 -1.8354061d-01 -7.9187418d-02 1.8436038d-02 9 3.4224064d-01 -1.7929463d-01 -7.5414279d-02 1.7272053d-02 10 1.5736097d-01 8.5058578d-02 5.7187323d-02 -1.3655456d-02 11 2.1083968d-02 4.7727219d-01 2.9410945d-01 -7.2750399d-02 12 8.1527252d-04 4.5610326d-01 3.0414356d-01 -7.3119890d-02 13 -1.5782127d-04 1.1292605d-01 -2.3704771d-01 7.3601499d-02 14 -8.3678548d-06 3.0603828d-03 -6.1601302d-01 1.9723437d-01 15 -4.9679574d-05 1.5339389d-03 -3.4201422d-01 1.1252476d-01 16 1.0137215d-05 -3.3053251d-04 -3.0443980d-02 -2.7409948d-01 17 -5.1723524d-06 1.4679404d-04 2.7766576d-03 -5.7423517d-01 18 1.7657289d-06 -4.9841504d-05 -1.0588757d-03 -3.1828692d-01 *** Small Component *** 19 6.4148691d-05 -2.9763339d-05 -1.2371415d-05 2.8489978d-06 20 3.0105978d-04 -1.3978048d-04 -5.8307716d-05 1.3488926d-05 21 1.0405424d-03 -4.8453277d-04 -2.0157736d-04 4.6437227d-05 22 2.9725004d-03 -1.3923693d-03 -5.8171571d-04 1.3458286d-04 23 7.2248484d-03 -3.4311042d-03 -1.4328753d-03 3.3029252d-04 24 1.4814602d-02 -7.2288059d-03 -3.0444518d-03 7.0525568d-04 25 2.4298426d-02 -1.2397232d-02 -5.2476593d-03 1.2114230d-03 26 2.8992504d-02 -1.5708909d-02 -6.7745427d-03 1.5771329d-03 27 2.0934467d-02 -1.0950087d-02 -4.6057901d-03 1.0548844d-03 28 6.8861714d-03 3.6916443d-03 2.4824909d-03 -5.9271578d-04 29 6.5596810d-04 1.4792184d-02 9.1107982d-03 -2.2534868d-03 30 1.8071893d-05 1.0136921d-02 6.7573444d-03 -1.6245654d-03 31 -2.4311713d-06 1.7637975d-03 -3.6988828d-03 1.1484007d-03 32 -1.0982188d-07 3.3403449d-05 -6.7137667d-03 2.1494597d-03 33 -3.6104132d-07 1.1364804d-05 -2.5363885d-03 8.3444716d-04 34 4.1906971d-08 -1.4547758d-06 -1.3445869d-04 -1.2104353d-03 35 -1.3022248d-08 4.0673895d-07 7.7441610d-06 -1.6010940d-03 36 2.5701391d-09 -8.4685574d-08 -1.8181700d-06 -5.4635032d-04 3D- 4D- -1.9087001d+01 -1.3356777d+00 ------------ ------------ *** Large Component *** 1 2.8234527d-04 -1.0552376d-04 2 2.3832590d-03 -8.8724640d-04 3 1.3720294d-02 -5.1673933d-03 4 5.5030468d-02 -2.0789123d-02 5 1.5743249d-01 -6.0843714d-02 6 3.0644676d-01 -1.1655822d-01 7 3.8423942d-01 -1.3807782d-01 8 2.5314907d-01 -7.6086350d-03 9 6.2381777d-02 2.8922075d-01 10 2.8031849d-03 4.5590811d-01 11 3.6520543d-04 3.3649279d-01 12 -9.4391676d-05 9.5109320d-02 *** Small Component *** 13 9.7473832d-05 -3.6498507d-05 14 5.7225383d-04 -2.1295311d-04 15 2.1626129d-03 -8.1462973d-04 16 5.8249974d-03 -2.2004280d-03 17 1.1443406d-02 -4.4230372d-03 18 1.5578702d-02 -5.9266359d-03 19 1.3764411d-02 -4.9479822d-03 20 6.4196922d-03 -1.9358506d-04 21 1.1005300d-03 5.1251159d-03 22 3.1665187d-05 5.5294068d-03 23 2.0953152d-06 2.7257370d-03 24 -9.2380093d-07 4.8899425d-04 3D+ 4D+ -1.8761177d+01 -1.2937314d+00 ------------ ------------ *** Large Component *** 1 3.2962097d-04 -1.2263780d-04 2 3.0972012d-03 -1.1493031d-03 3 1.7358236d-02 -6.5088405d-03 4 6.5997288d-02 -2.4897242d-02 5 1.7725825d-01 -6.8260870d-02 6 3.2196143d-01 -1.2139945d-01 7 3.7533967d-01 -1.3079331d-01 8 2.2345884d-01 2.1942186d-02 9 4.9107707d-02 3.0985767d-01 10 2.0194025d-03 4.4872754d-01 11 2.4847592d-04 3.1692082d-01 12 -6.2976573d-05 8.5998011d-02 *** Small Component *** 13 1.3549896d-04 -5.0393478d-05 14 7.2608086d-04 -2.6925568d-04 15 2.5731692d-03 -9.6439953d-04 16 6.5311036d-03 -2.4626744d-03 17 1.2093994d-02 -4.6555421d-03 18 1.5430150d-02 -5.8163372d-03 19 1.2741625d-02 -4.4392753d-03 20 5.3966369d-03 5.2824051d-04 21 8.3141714d-04 5.2435586d-03 22 2.3512593d-05 5.2137375d-03 23 1.9201271d-06 2.4691187d-03 24 -3.0800281d-07 4.2706713d-04 * Radial Moments Sym Orb S+ 1 6.08493d+03 5.30856d+01 2.90480d-02 1.14231d-03 5.67386d-05 3.41002d-06 2 7.02855d+02 1.23337d+01 1.24921d-01 1.84656d-02 3.10929d-03 5.90037d-04 3 1.38907d+02 4.37438d+00 3.37297d-01 1.30175d-01 5.54581d-02 2.58792d-02 4 2.69618d+01 1.68214d+00 8.21994d-01 7.63425d-01 7.78632d-01 8.67660d-01 5 2.57561d+00 5.16315d-01 2.47915d+00 7.03175d+00 2.24486d+01 8.01413d+01 P- 1 2.25146d+02 1.22771d+01 1.05906d-01 1.37904d-02 2.13496d-03 3.83987d-04 2 4.43860d+01 4.27253d+00 3.28727d-01 1.25563d-01 5.35386d-02 2.52582d-02 3 8.20473d+00 1.56453d+00 8.71112d-01 8.65985d-01 9.55300d-01 1.16392d+00 4 5.58985d-01 4.00135d-01 3.16240d+00 1.15627d+01 4.79731d+01 2.22851d+02 P+ 1 1.78258d+02 1.14397d+01 1.11236d-01 1.50860d-02 2.42235d-03 4.50797d-04 2 3.55377d+01 4.07094d+00 3.39550d-01 1.33774d-01 5.87974d-02 2.85768d-02 3 6.63020d+00 1.50404d+00 8.98573d-01 9.21546d-01 1.04930d+00 1.32052d+00 4 4.50323d-01 3.82551d-01 3.30431d+00 1.26861d+01 5.57386d+01 2.77578d+02 D- 1 1.91971d+01 3.90409d+00 3.11490d-01 1.15063d-01 4.94523d-02 2.43615d-02 2 2.78984d+00 1.22525d+00 1.08107d+00 1.38096d+00 2.03801d+00 3.45679d+00 D+ 1 1.85812d+01 3.85154d+00 3.14981d-01 1.17512d-01 5.09715d-02 2.53310d-02 2 2.68533d+00 1.20719d+00 1.09565d+00 1.41908d+00 2.12511d+00 3.66097d+00 ****************************************************************************** Antimony [Kr]5s(2)4d(10)5p(3) Nuclear Charge = 51.0000000000 Atomic Mass = 121.0000000000 Nuclear Radius = 1.147827d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.20000000 0.0 2.0 1.0 0.0 0.0 2 0.60000000 0.0 1.0 2.0 0.0 0.0 3 0.20000000 0.0 0.0 3.0 0.0 0.0 * Energies Total Energy = -6.48051559887001d+03 Mass Energy = -6.48017614141138d+03 Kinetic Energy = 1.33189104958636d+04 Potential Energy = -1.33192499533223d+04 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.6771528703d+07 1.0000000000d+00 1.0000000000d+00 2 9.3706119213d+06 1.0000000000d+00 1.0000000000d+00 3 2.4397558605d+06 1.0000000000d+00 1.0000000000d+00 4 7.1662896777d+05 1.0000000000d+00 1.0000000000d+00 5 2.3246537206d+05 1.0000000000d+00 1.0000000000d+00 6 8.1585362354d+04 1.0000000000d+00 1.0000000000d+00 7 3.0622017406d+04 1.0000000000d+00 1.0000000000d+00 8 1.2171161170d+04 1.0000000000d+00 1.0000000000d+00 9 5.0808659556d+03 1.0000000000d+00 1.0000000000d+00 10 2.2134570040d+03 1.0000000000d+00 1.0000000000d+00 11 1.0012322398d+03 1.0000000000d+00 1.0000000000d+00 12 4.6818307415d+02 1.0000000000d+00 1.0000000000d+00 13 2.2444245674d+02 1.0000000000d+00 1.0000000000d+00 14 1.0106612301d+02 1.0000000000d+00 1.0000000000d+00 15 5.0041430840d+01 1.0000000000d+00 1.0000000000d+00 16 2.4997243828d+01 1.0000000000d+00 1.0000000000d+00 17 1.1784390062d+01 1.0000000000d+00 1.0000000000d+00 18 5.9544289343d+00 1.0000000000d+00 1.0000000000d+00 19 2.3657224584d+00 1.0000000000d+00 1.0000000000d+00 20 1.0786452593d+00 1.0000000000d+00 1.0000000000d+00 21 2.4519846043d-01 1.0000000000d+00 1.0000000000d+00 22 9.3525156325d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.2946277588d+06 1.0000000000d+00 1.0000000000d+00 2 3.3424942767d+05 1.0000000000d+00 1.0000000000d+00 3 7.0232869184d+04 1.0000000000d+00 1.0000000000d+00 4 1.8358054019d+04 1.0000000000d+00 1.0000000000d+00 5 5.6796932972d+03 1.0000000000d+00 1.0000000000d+00 6 2.0149749079d+03 1.0000000000d+00 1.0000000000d+00 7 7.9604352613d+02 1.0000000000d+00 1.0000000000d+00 8 3.4138150359d+02 1.0000000000d+00 1.0000000000d+00 9 1.5531641319d+02 1.0000000000d+00 1.0000000000d+00 10 7.3742241372d+01 1.0000000000d+00 1.0000000000d+00 11 3.5855743549d+01 1.0000000000d+00 1.0000000000d+00 12 1.7127885611d+01 1.0000000000d+00 1.0000000000d+00 13 8.3680558299d+00 1.0000000000d+00 1.0000000000d+00 14 3.8103665779d+00 1.0000000000d+00 1.0000000000d+00 15 1.7941789251d+00 1.0000000000d+00 1.0000000000d+00 16 8.0811639844d-01 1.0000000000d+00 1.0000000000d+00 17 2.4354864277d-01 1.0000000000d+00 1.0000000000d+00 18 7.9527769729d-02 1.0000000000d+00 1.0000000000d+00 P+ 1 1.1680664082d+05 1.0000000000d+00 1.0000000000d+00 2 2.5447939495d+04 1.0000000000d+00 1.0000000000d+00 3 7.8065250667d+03 1.0000000000d+00 1.0000000000d+00 4 2.8609695954d+03 1.0000000000d+00 1.0000000000d+00 5 1.1743422627d+03 1.0000000000d+00 1.0000000000d+00 6 5.2119425668d+02 1.0000000000d+00 1.0000000000d+00 7 2.4495342757d+02 1.0000000000d+00 1.0000000000d+00 8 1.1993103215d+02 1.0000000000d+00 1.0000000000d+00 9 6.0557101027d+01 1.0000000000d+00 1.0000000000d+00 10 3.0967250990d+01 1.0000000000d+00 1.0000000000d+00 11 1.5648190531d+01 1.0000000000d+00 1.0000000000d+00 12 8.0558330112d+00 1.0000000000d+00 1.0000000000d+00 13 4.0111801577d+00 1.0000000000d+00 1.0000000000d+00 14 1.9702710271d+00 1.0000000000d+00 1.0000000000d+00 15 9.2567896647d-01 1.0000000000d+00 1.0000000000d+00 16 3.3935980703d-01 1.0000000000d+00 1.0000000000d+00 17 1.3837232597d-01 1.0000000000d+00 1.0000000000d+00 18 5.3321779763d-02 1.0000000000d+00 1.0000000000d+00 D- 1 3.3563242689d+03 1.0000000000d+00 1.0000000000d+00 2 8.9264896546d+02 1.0000000000d+00 1.0000000000d+00 3 3.2455702029d+02 1.0000000000d+00 1.0000000000d+00 4 1.3730652218d+02 1.0000000000d+00 1.0000000000d+00 5 6.3201482543d+01 1.0000000000d+00 1.0000000000d+00 6 3.0652474640d+01 1.0000000000d+00 1.0000000000d+00 7 1.5199789548d+01 1.0000000000d+00 1.0000000000d+00 8 7.6445430736d+00 1.0000000000d+00 1.0000000000d+00 9 3.7537070995d+00 1.0000000000d+00 1.0000000000d+00 10 1.7776975817d+00 1.0000000000d+00 1.0000000000d+00 11 8.0560731814d-01 1.0000000000d+00 1.0000000000d+00 12 3.2879008932d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 2.2954538381d+03 1.0000000000d+00 1.0000000000d+00 2 6.8381588156d+02 1.0000000000d+00 1.0000000000d+00 3 2.6409767417d+02 1.0000000000d+00 1.0000000000d+00 4 1.1582883382d+02 1.0000000000d+00 1.0000000000d+00 5 5.4681365709d+01 1.0000000000d+00 1.0000000000d+00 6 2.6959607562d+01 1.0000000000d+00 1.0000000000d+00 7 1.3554986052d+01 1.0000000000d+00 1.0000000000d+00 8 6.8912794096d+00 1.0000000000d+00 1.0000000000d+00 9 3.4172745969d+00 1.0000000000d+00 1.0000000000d+00 10 1.6303852831d+00 1.0000000000d+00 1.0000000000d+00 11 7.4491206535d-01 1.0000000000d+00 1.0000000000d+00 12 3.0620237860d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -1.1270409d+03 -1.7495877d+02 -3.5803466d+01 -6.4891670d+00 -6.2682318d-01 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 4.3893924d-05 -1.5137729d-05 -6.7161418d-06 2.9601091d-06 -9.4250962d-07 2 1.2704151d-04 -4.3952803d-05 -1.9514248d-05 8.5959002d-06 -2.7369756d-06 3 3.4137644d-04 -1.1850103d-04 -5.2617578d-05 2.3203515d-05 -7.3884070d-06 4 8.7746384d-04 -3.0643534d-04 -1.3625765d-04 6.0009350d-05 -1.9108061d-05 5 2.2494382d-03 -7.8990740d-04 -3.5123233d-04 1.5504027d-04 -4.9371362d-05 6 5.7595680d-03 -2.0409426d-03 -9.0968577d-04 4.0047299d-04 -1.2752578d-04 7 1.4628263d-02 -5.2283435d-03 -2.3298178d-03 1.0300072d-03 -3.2803714d-04 8 3.6121090d-02 -1.3165240d-02 -5.8947945d-03 2.5941795d-03 -8.2619530d-04 9 8.4129842d-02 -3.1617593d-02 -1.4187154d-02 6.2909055d-03 -2.0041764d-03 10 1.7454037d-01 -7.0591865d-02 -3.2129326d-02 1.4157998d-02 -4.5115872d-03 11 2.9282496d-01 -1.3537819d-01 -6.2663263d-02 2.8061020d-02 -8.9517775d-03 12 3.2833678d-01 -1.9747271d-01 -9.6108813d-02 4.2635932d-02 -1.3618106d-02 13 1.7960639d-01 -1.0885311d-01 -5.3949407d-02 2.5625154d-02 -8.2160692d-03 14 2.5200577d-02 3.1586634d-01 2.1351039d-01 -1.0624663d-01 3.4461735d-02 15 -2.0217598d-03 5.8835209d-01 5.6617838d-01 -2.8516793d-01 9.3440962d-02 16 1.0338723d-03 2.5588135d-01 2.1206669d-01 -1.3672403d-01 4.6504003d-02 17 -5.7675464d-04 1.8737662d-02 -7.3894725d-01 6.3811546d-01 -2.3155080d-01 18 2.4934084d-04 4.2086471d-05 -5.7535518d-01 6.5908180d-01 -2.5319811d-01 19 -9.0542689d-05 -1.6672690d-04 -4.9949838d-02 -7.6707251d-01 4.0215042d-01 20 3.7728826d-05 -3.9798084d-05 3.8884687d-03 -6.8632280d-01 5.0218696d-01 21 -9.0184913d-06 1.8479257d-07 -9.6752750d-04 -2.6106301d-02 -7.3082972d-01 22 3.4790184d-06 8.9918014d-07 3.7568510d-04 5.6129959d-03 -5.2262856d-01 *** Small Component *** 23 8.8089126d-05 -3.0305233d-05 -1.3436437d-05 5.9267993d-06 -1.8871246d-06 24 3.0943404d-04 -1.0657618d-04 -4.7301901d-05 2.0815989d-05 -6.6276250d-06 25 7.4094223d-04 -2.5497308d-04 -1.1303483d-04 4.9880323d-05 -1.5882325d-05 26 1.6511319d-03 -5.6934696d-04 -2.5278689d-04 1.1118742d-04 -3.5400905d-05 27 3.4058755d-03 -1.1740653d-03 -5.2051518d-04 2.2983358d-04 -7.3182598d-05 28 6.6631449d-03 -2.3083370d-03 -1.0258385d-03 4.5098763d-04 -1.4359159d-04 29 1.2355319d-02 -4.2998776d-03 -1.9085158d-03 8.4358873d-04 -2.6863108d-04 30 2.1631480d-02 -7.6641729d-03 -3.4186295d-03 1.5025918d-03 -4.7846861d-04 31 3.5113112d-02 -1.2818758d-02 -5.7283763d-03 2.5388321d-03 -8.0871099d-04 32 5.0406590d-02 -1.9820881d-02 -8.9877445d-03 3.9565704d-03 -1.2606115d-03 33 5.8514633d-02 -2.6343199d-02 -1.2152074d-02 5.4388420d-03 -1.7348351d-03 34 4.5600454d-02 -2.6775862d-02 -1.2996820d-02 5.7622575d-03 -1.8403057d-03 35 1.7414969d-02 -1.0441349d-02 -5.1870872d-03 2.4626068d-03 -7.8960498d-04 36 1.6457523d-03 1.9954178d-02 1.3425017d-02 -6.6764274d-03 2.1652164d-03 37 -9.3487031d-05 2.6363373d-02 2.5280740d-02 -1.2726344d-02 4.1696529d-03 38 3.3739129d-05 8.1107541d-03 6.7229553d-03 -4.3342592d-03 1.4742031d-03 39 -1.2915024d-05 4.1050926d-04 -1.6025920d-02 1.3829162d-02 -5.0174777d-03 40 3.9888194d-06 -6.0798415d-07 -8.8807672d-03 1.0167352d-02 -3.9059585d-03 41 -9.1709971d-07 -1.1407486d-06 -4.8539416d-04 -7.4557848d-03 3.9082322d-03 42 2.5881200d-07 -4.5482894d-07 2.5340305d-05 -4.5052701d-03 3.2962091d-03 43 -3.0017578d-08 4.8910767d-08 -2.9787306d-06 -8.1711760d-05 -2.2870089d-03 44 7.3200797d-09 -1.8522674d-08 7.0506898d-07 1.0851466d-05 -1.0100913d-03 2P- 3P- 4P- 5P- -1.6319471d+02 -3.0952684d+01 -4.7686868d+00 -3.1305817d-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 7.4744714d-05 -3.4532135d-05 -1.4639866d-05 3.8257857d-06 2 2.3845788d-04 -1.1021200d-04 -4.6720881d-05 1.2203218d-05 3 6.8844612d-04 -3.1838488d-04 -1.3504090d-04 3.5322950d-05 4 1.9818125d-03 -9.1940590d-04 -3.8983519d-04 1.0165406d-04 5 6.1554552d-03 -2.8670784d-03 -1.2186217d-03 3.1962986d-04 6 2.0130767d-02 -9.4892740d-03 -4.0328999d-03 1.0493853d-03 7 6.2731399d-02 -3.0122838d-02 -1.2888398d-02 3.3912560d-03 8 1.6506002d-01 -8.2637830d-02 -3.5510773d-02 9.2340681d-03 9 3.2156757d-01 -1.6975234d-01 -7.4187537d-02 1.9675407d-02 10 3.8248398d-01 -2.0760028d-01 -9.0212373d-02 2.3122307d-02 11 2.0301870d-01 3.0375648d-02 3.0316869d-02 -7.4152739d-03 12 2.9595867d-02 4.8217410d-01 3.0279385d-01 -8.7232553d-02 13 3.7735388d-04 4.9543497d-01 3.2634772d-01 -8.4470525d-02 14 3.8258428d-05 1.0508748d-01 -3.2165042d-01 1.0529242d-01 15 -9.1326212d-05 -2.5734992d-03 -6.4826376d-01 2.6872297d-01 16 -8.5260655d-06 2.2016751d-03 -2.4614949d-01 1.5535871d-02 17 -8.8508993d-07 -4.8716608d-04 -9.8963918d-03 -6.0100879d-01 18 5.7175915d-07 1.3770665d-04 3.2135582d-04 -5.1965793d-01 *** Small Component *** 19 1.8516389d-05 -8.5576035d-06 -3.6314434d-06 9.5191688d-07 20 7.2131989d-05 -3.3435326d-05 -1.4164071d-05 3.6838385d-06 21 2.4254755d-04 -1.1238068d-04 -4.7744979d-05 1.2546081d-05 22 7.6752964d-04 -3.5739411d-04 -1.5148756d-04 3.9362976d-05 23 2.2348166d-03 -1.0425460d-03 -4.4354080d-04 1.1660268d-04 24 5.7941284d-03 -2.7349202d-03 -1.1622336d-03 3.0207222d-04 25 1.2977063d-02 -6.2341947d-03 -2.6680101d-03 7.0243615d-04 26 2.3717532d-02 -1.1883528d-02 -5.1068111d-03 1.3275750d-03 27 3.1967253d-02 -1.6897271d-02 -7.3866094d-03 1.9594367d-03 28 2.6441276d-02 -1.4398397d-02 -6.2607964d-03 1.6046010d-03 29 9.7174164d-03 1.5063192d-03 1.4815238d-03 -3.6206562d-04 30 8.6819608d-04 1.6286150d-02 1.0217406d-02 -2.9431801d-03 31 -6.8409489d-05 1.1703249d-02 7.7070109d-03 -1.9950850d-03 32 -4.9125157d-05 1.6778191d-03 -5.1155186d-03 1.6746664d-03 33 -2.2789207d-05 -2.6864244d-05 -7.0821167d-03 2.9359140d-03 34 -1.9826848d-05 1.7344512d-05 -1.8029967d-03 1.1350705d-04 35 -8.6118805d-06 -1.4493814d-06 -3.8766468d-05 -2.4200410d-03 36 -4.8670323d-06 6.0829394d-07 1.3562087d-06 -1.1957383d-03 2P+ 3P+ 4P+ 5P+ -1.5390147d+02 -2.9188717d+01 -4.4395688d+00 -2.8963454d-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 3.9906138d-05 -1.8685994d-05 -7.9121545d-06 2.0199858d-06 2 3.0134976d-04 -1.4130979d-04 -5.9979050d-05 1.5375400d-05 3 1.6504327d-03 -7.7650591d-04 -3.2902853d-04 8.3980608d-05 4 7.2663832d-03 -3.4378404d-03 -1.4618345d-03 3.7489007d-04 5 2.6587782d-02 -1.2748286d-02 -5.4213574d-03 1.3843518d-03 6 8.0592464d-02 -3.9653877d-02 -1.6994388d-02 4.3645365d-03 7 1.9263743d-01 -9.9012737d-02 -4.2670302d-02 1.0911343d-02 8 3.3213536d-01 -1.8103650d-01 -7.9405772d-02 2.0503516d-02 9 3.4664124d-01 -1.8513095d-01 -7.9702308d-02 2.0217788d-02 10 1.6749760d-01 6.7039072d-02 4.9226756d-02 -1.3017761d-02 11 2.4394194d-02 4.6605156d-01 2.9208020d-01 -8.0517313d-02 12 7.5147480d-04 4.6837075d-01 3.2156494d-01 -8.5929793d-02 13 -7.9846937d-05 1.2373011d-01 -2.1552632d-01 7.5361117d-02 14 -4.9397751d-05 4.1804405d-03 -6.2160078d-01 2.2625222d-01 15 -3.7568035d-05 1.5641820d-03 -3.5352304d-01 1.2889185d-01 16 5.8707046d-06 -3.5116147d-04 -3.2461604d-02 -3.1137819d-01 17 -2.8694466d-06 1.4714376d-04 2.5294715d-03 -5.7556528d-01 18 1.1855152d-06 -5.2251739d-05 -1.1209005d-03 -2.8815756d-01 *** Small Component *** 19 6.2725954d-05 -2.9285820d-05 -1.2386959d-05 3.1589777d-06 20 2.9455409d-04 -1.3758103d-04 -5.8368682d-05 1.4968913d-05 21 1.0195199d-03 -4.7766793d-04 -2.0220810d-04 5.1589322d-05 22 2.9169393d-03 -1.3742086d-03 -5.8391367d-04 1.4975154d-04 23 7.1128449d-03 -3.3966845d-03 -1.4433010d-03 3.6847199d-04 24 1.4690531d-02 -7.2010463d-03 -3.0840268d-03 7.9199961d-04 25 2.4374703d-02 -1.2487106d-02 -5.3781092d-03 1.3750887d-03 26 2.9605737d-02 -1.6092796d-02 -7.0552375d-03 1.8216389d-03 27 2.2038326d-02 -1.1749616d-02 -5.0581668d-03 1.2831070d-03 28 7.6270048d-03 3.0218294d-03 2.2206919d-03 -5.8716300d-04 29 7.9008616d-04 1.5033748d-02 9.4167688d-03 -2.5957216d-03 30 1.7368236d-05 1.0850758d-02 7.4469488d-03 -1.9900109d-03 31 -1.2729333d-06 2.0230437d-03 -3.5200670d-03 1.2307431d-03 32 -5.8373883d-07 4.7937273d-05 -7.1187375d-03 2.5908991d-03 33 -2.8787710d-07 1.2267265d-05 -2.7752675d-03 1.0117898d-03 34 2.5142985d-08 -1.6634726d-06 -1.5430182d-04 -1.4798924d-03 35 -7.3715737d-09 4.4367344d-07 7.6792186d-06 -1.7467894d-03 36 1.8005088d-09 -9.7466324d-08 -2.1123663d-06 -5.4288023d-04 3D- 4D- -2.0724614d+01 -1.6546810d+00 ------------ ------------ *** Large Component *** 1 2.6528781d-04 -1.0292034d-04 2 2.2184922d-03 -8.5746913d-04 3 1.2789941d-02 -5.0005391d-03 4 5.1853005d-02 -2.0335192d-02 5 1.5040059d-01 -6.0346733d-02 6 2.9863660d-01 -1.1826867d-01 7 3.8416449d-01 -1.4437352d-01 8 2.6325136d-01 -1.8709352d-02 9 6.9061460d-02 2.8408065d-01 10 3.5378259d-03 4.6293539d-01 11 3.6118919d-04 3.3655342d-01 12 -1.0240523d-04 8.8905606d-02 *** Small Component *** 13 9.3335993d-05 -3.6282377d-05 14 5.5125029d-04 -2.1297266d-04 15 2.0988808d-03 -8.2075659d-04 16 5.7270110d-03 -2.2458480d-03 17 1.1421191d-02 -4.5830924d-03 18 1.5883608d-02 -6.2917176d-03 19 1.4423678d-02 -5.4225148d-03 20 7.0135653d-03 -4.9948459d-04 21 1.2856434d-03 5.3109049d-03 22 4.2812120d-05 5.9573947d-03 23 2.1256670d-06 2.9157687d-03 24 -1.1040510d-06 4.9193078d-04 3D+ 4D+ -2.0363169d+01 -1.6051523d+00 ------------ ------------ *** Large Component *** 1 3.0991703d-04 -1.1983714d-04 2 2.8995189d-03 -1.1179775d-03 3 1.6326806d-02 -6.3623967d-03 4 6.2651712d-02 -2.4557209d-02 5 1.7036822d-01 -6.8210397d-02 6 3.1511116d-01 -1.2383946d-01 7 3.7643191d-01 -1.3762888d-01 8 2.3293716d-01 1.1872516d-02 9 5.4571190d-02 3.0683770d-01 10 2.5081245d-03 4.5598446d-01 11 2.5203402d-04 3.1526185d-01 12 -7.2471749d-05 7.9451011d-02 *** Small Component *** 13 1.3181756d-04 -5.0949254d-05 14 7.0586143d-04 -2.7196818d-04 15 2.5177975d-03 -9.8064990d-04 16 6.4573898d-03 -2.5297722d-03 17 1.2121483d-02 -4.8510808d-03 18 1.5775872d-02 -6.1978801d-03 19 1.3376087d-02 -4.8895557d-03 20 5.9050406d-03 2.9915629d-04 21 9.7418202d-04 5.4746256d-03 22 3.0975756d-05 5.6203870d-03 23 2.0812672d-06 2.6267544d-03 24 -3.8159795d-07 4.2442400d-04 * Radial Moments Sym Orb S+ 1 6.39273d+03 5.43239d+01 2.84150d-02 1.09358d-03 5.31727d-05 3.12869d-06 2 7.43092d+02 1.26475d+01 1.22037d-01 1.76264d-02 2.89995d-03 5.37642d-04 3 1.48077d+02 4.49986d+00 3.28557d-01 1.23514d-01 5.12404d-02 2.32741d-02 4 2.94406d+01 1.74799d+00 7.93236d-01 7.10462d-01 6.97824d-01 7.47445d-01 5 3.13869d+00 5.60292d-01 2.29226d+00 5.98908d+00 1.75350d+01 5.71976d+01 P- 1 2.37837d+02 1.25909d+01 1.03361d-01 1.31393d-02 1.98592d-03 3.48688d-04 2 4.73148d+01 4.39863d+00 3.19739d-01 1.18786d-01 4.92429d-02 2.25762d-02 3 9.00015d+00 1.63240d+00 8.36753d-01 7.98093d-01 8.42910d-01 9.80628d-01 4 7.33172d-01 4.48648d-01 2.83676d+00 9.27729d+00 3.43526d+01 1.42413d+02 P+ 1 1.86312d+02 1.16954d+01 1.08794d-01 1.44290d-02 2.26536d-03 4.12130d-04 2 3.74956d+01 4.18231d+00 3.30686d-01 1.26865d-01 5.42751d-02 2.56628d-02 3 7.20591d+00 1.56740d+00 8.63683d-01 8.50323d-01 9.27460d-01 1.11526d+00 4 5.82579d-01 4.27988d-01 2.96796d+00 1.01997d+01 3.99861d+01 1.77436d+02 D- 1 2.03200d+01 4.01835d+00 3.02345d-01 1.08303d-01 4.50966d-02 2.15048d-02 2 3.12849d+00 1.30047d+00 1.01653d+00 1.21458d+00 1.66533d+00 2.60700d+00 D+ 1 1.96412d+01 3.96210d+00 3.05861d-01 1.10693d-01 4.65318d-02 2.23908d-02 2 3.01133d+00 1.28169d+00 1.02967d+00 1.24647d+00 1.73253d+00 2.75143d+00 ****************************************************************************** Tellurium [Kr]5s(2)4d(10)5p(4) Nuclear Charge = 52.0000000000 Atomic Mass = 130.0000000000 Nuclear Radius = 1.172242D-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.40000000 0.0 2.0 2.0 0.0 0.0 2 0.53333333 0.0 1.0 3.0 0.0 0.0 3 0.06666667 0.0 0.0 4.0 0.0 0.0 * Energies Total Energy = -6.79369565511156D+03 Mass Energy = -6.79330272449291D+03 Kinetic Energy = 1.39781610537578D+04 Potential Energy = -1.39785539843764D+04 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.5640388478D+07 1.0000000000D+00 1.0000000000D+00 2 9.2762828773D+06 1.0000000000D+00 1.0000000000D+00 3 2.4479532388D+06 1.0000000000D+00 1.0000000000D+00 4 7.2631879368D+05 1.0000000000D+00 1.0000000000D+00 5 2.3745442570D+05 1.0000000000D+00 1.0000000000D+00 6 8.3814548491D+04 1.0000000000D+00 1.0000000000D+00 7 3.1591595547D+04 1.0000000000D+00 1.0000000000D+00 8 1.2595583232D+04 1.0000000000D+00 1.0000000000D+00 9 5.2727814532D+03 1.0000000000D+00 1.0000000000D+00 10 2.3028671735D+03 1.0000000000D+00 1.0000000000D+00 11 1.0438202784D+03 1.0000000000D+00 1.0000000000D+00 12 4.8893038692D+02 1.0000000000D+00 1.0000000000D+00 13 2.3476812697D+02 1.0000000000D+00 1.0000000000D+00 14 1.0616528660D+02 1.0000000000D+00 1.0000000000D+00 15 5.2697882773D+01 1.0000000000D+00 1.0000000000D+00 16 2.6412076184D+01 1.0000000000D+00 1.0000000000D+00 17 1.2475971643D+01 1.0000000000D+00 1.0000000000D+00 18 6.3272839256D+00 1.0000000000D+00 1.0000000000D+00 19 2.5494675130D+00 1.0000000000D+00 1.0000000000D+00 20 1.1819477174D+00 1.0000000000D+00 1.0000000000D+00 21 2.8456266393D-01 1.0000000000D+00 1.0000000000D+00 22 1.0960403372D-01 1.0000000000D+00 1.0000000000D+00 P- 1 2.2965803741D+06 1.0000000000D+00 1.0000000000D+00 2 3.3468747544D+05 1.0000000000D+00 1.0000000000D+00 3 7.0294970769D+04 1.0000000000D+00 1.0000000000D+00 4 1.8354103165D+04 1.0000000000D+00 1.0000000000D+00 5 5.6698669989D+03 1.0000000000D+00 1.0000000000D+00 6 2.0083378672D+03 1.0000000000D+00 1.0000000000D+00 7 7.9219609910D+02 1.0000000000D+00 1.0000000000D+00 8 3.3917447258D+02 1.0000000000D+00 1.0000000000D+00 9 1.5398350697D+02 1.0000000000D+00 1.0000000000D+00 10 7.2928390427D+01 1.0000000000D+00 1.0000000000D+00 11 3.5293184063D+01 1.0000000000D+00 1.0000000000D+00 12 1.6895181106D+01 1.0000000000D+00 1.0000000000D+00 13 8.2737215964D+00 1.0000000000D+00 1.0000000000D+00 14 3.6997586137D+00 1.0000000000D+00 1.0000000000D+00 15 1.7078497641D+00 1.0000000000D+00 1.0000000000D+00 16 7.4469699392D-01 1.0000000000D+00 1.0000000000D+00 17 2.6466629171D-01 1.0000000000D+00 1.0000000000D+00 18 9.0114234958D-02 1.0000000000D+00 1.0000000000D+00 P+ 1 1.2455000922D+05 1.0000000000D+00 1.0000000000D+00 2 2.7054802531D+04 1.0000000000D+00 1.0000000000D+00 3 8.2870161787D+03 1.0000000000D+00 1.0000000000D+00 4 3.0290863991D+03 1.0000000000D+00 1.0000000000D+00 5 1.2407323810D+03 1.0000000000D+00 1.0000000000D+00 6 5.5045426161D+02 1.0000000000D+00 1.0000000000D+00 7 2.5888113833D+02 1.0000000000D+00 1.0000000000D+00 8 1.2687913373D+02 1.0000000000D+00 1.0000000000D+00 9 6.4157692923D+01 1.0000000000D+00 1.0000000000D+00 10 3.2894469246D+01 1.0000000000D+00 1.0000000000D+00 11 1.6684691366D+01 1.0000000000D+00 1.0000000000D+00 12 8.6299647261D+00 1.0000000000D+00 1.0000000000D+00 13 4.3316437075D+00 1.0000000000D+00 1.0000000000D+00 14 2.1441040016D+00 1.0000000000D+00 1.0000000000D+00 15 1.0229771346D+00 1.0000000000D+00 1.0000000000D+00 16 3.8887163018D-01 1.0000000000D+00 1.0000000000D+00 17 1.6069790066D-01 1.0000000000D+00 1.0000000000D+00 18 6.2570783680D-02 1.0000000000D+00 1.0000000000D+00 D- 1 3.7667114981D+03 1.0000000000D+00 1.0000000000D+00 2 9.9819922989D+02 1.0000000000D+00 1.0000000000D+00 3 3.6156665576D+02 1.0000000000D+00 1.0000000000D+00 4 1.5260913628D+02 1.0000000000D+00 1.0000000000D+00 5 7.0151640540D+01 1.0000000000D+00 1.0000000000D+00 6 3.4018683279D+01 1.0000000000D+00 1.0000000000D+00 7 1.6879023348D+01 1.0000000000D+00 1.0000000000D+00 8 8.5050369880D+00 1.0000000000D+00 1.0000000000D+00 9 4.1982416652D+00 1.0000000000D+00 1.0000000000D+00 10 2.0050288503D+00 1.0000000000D+00 1.0000000000D+00 11 9.1907038841D-01 1.0000000000D+00 1.0000000000D+00 12 3.7790266872D-01 1.0000000000D+00 1.0000000000D+00 D+ 1 2.5346597923D+03 1.0000000000D+00 1.0000000000D+00 2 7.5238751266D+02 1.0000000000D+00 1.0000000000D+00 3 2.9002602440D+02 1.0000000000D+00 1.0000000000D+00 4 1.2719621498D+02 1.0000000000D+00 1.0000000000D+00 5 6.0076570038D+01 1.0000000000D+00 1.0000000000D+00 6 2.9662984676D+01 1.0000000000D+00 1.0000000000D+00 7 1.4943288880D+01 1.0000000000D+00 1.0000000000D+00 8 7.6235024654D+00 1.0000000000D+00 1.0000000000D+00 9 3.8038064977D+00 1.0000000000D+00 1.0000000000D+00 10 1.8310203619D+00 1.0000000000D+00 1.0000000000D+00 11 8.4634564611D-01 1.0000000000D+00 1.0000000000D+00 12 3.5033868702D-01 1.0000000000D+00 1.0000000000D+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -1.1759249D+03 -1.8386150D+02 -3.8123769D+01 -7.1130198D+00 -7.4886672D-01 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 4.7960647D-05 -1.6605585D-05 -7.3993529D-06 3.3007667D-06 -1.0998562D-06 2 1.3677882D-04 -4.7511683D-05 -2.1186080D-05 9.4457505D-06 -3.1476452D-06 3 3.6325118D-04 -1.2661211D-04 -5.6464598D-05 2.5201736D-05 -8.3976504D-06 4 9.2274176D-04 -3.2360050D-04 -1.4452063D-04 6.4423949D-05 -2.1470122D-05 5 2.3395368D-03 -8.2517699D-04 -3.6853766D-04 1.6464811D-04 -5.4864879D-05 6 5.9286912D-03 -2.1104862D-03 -9.4486223D-04 4.2104999D-04 -1.4034059D-04 7 1.4924427D-02 -5.3604099D-03 -2.3994390D-03 1.0736057D-03 -3.5776511D-04 8 3.6563682D-02 -1.3393135D-02 -6.0239859D-03 2.6836674D-03 -8.9472156D-04 9 8.4545263D-02 -3.1939335D-02 -1.4397373D-02 6.4612355D-03 -2.1535671D-03 10 1.7444549D-01 -7.0888832D-02 -3.2412991D-02 1.4460304D-02 -4.8246994D-03 11 2.9170618D-01 -1.3539780D-01 -6.2961128D-02 2.8534725D-02 -9.5214234D-03 12 3.2705240D-01 -1.9680758D-01 -9.6207943D-02 4.3222604D-02 -1.4465136D-02 13 1.7987765D-01 -1.0877256D-01 -5.4053743D-02 2.5951789D-02 -8.6750114D-03 14 2.5686593D-02 3.1183768D-01 2.1197315D-01 -1.0682776D-01 3.6201289D-02 15 -2.0094594D-03 5.8660813D-01 5.6581380D-01 -2.8907207D-01 9.9465968D-02 16 1.0394808D-03 2.6040721D-01 2.2096184D-01 -1.4337717D-01 5.0683138D-02 17 -5.8286626D-04 1.9890303D-02 -7.3495260D-01 6.4478716D-01 -2.4505917D-01 18 2.5618146D-04 -1.2079391D-04 -5.8154133D-01 6.7682015D-01 -2.7557442D-01 19 -9.5719639D-05 -1.3034639D-04 -5.2619653D-02 -7.6036308D-01 4.2475464D-01 20 4.0681901D-05 -5.6763690D-05 4.1278569D-03 -7.0160682D-01 5.4217141D-01 21 -9.9137401D-06 5.3055850D-06 -9.9648028D-04 -2.8169673D-02 -7.5305373D-01 22 3.7024021D-06 -4.0104932D-07 3.8598423D-04 5.5619443D-03 -5.2381306D-01 *** Small Component *** 23 9.4021457D-05 -3.2472537D-05 -1.4459715D-05 6.4552698D-06 -2.1508137D-06 24 3.2803260D-04 -1.1341821D-04 -5.0556281D-05 2.2519003D-05 -7.5043321D-06 25 7.7762641D-04 -2.6864939D-04 -1.1961379D-04 5.3421282D-05 -1.7798807D-05 26 1.7214709D-03 -5.9590826D-04 -2.6572570D-04 1.1830339D-04 -3.9425702D-05 27 3.5304943D-03 -1.2218877D-03 -5.4407020D-04 2.4313263D-04 -8.1004279D-05 28 6.8765079D-03 -2.3916536D-03 -1.0674803D-03 4.7503027D-04 -1.5831976D-04 29 1.2705523D-02 -4.4399481D-03 -1.9793052D-03 8.8541358D-04 -2.9499458D-04 30 2.2168511D-02 -7.8861165D-03 -3.5330298D-03 1.5719310D-03 -5.2400412D-04 31 3.5853117D-02 -1.3143372D-02 -5.8994493D-03 2.6461214D-03 -8.8180132D-04 32 5.1332222D-02 -2.0258785D-02 -9.2271205D-03 4.1121972D-03 -1.3718454D-03 33 5.9516464D-02 -2.6872361D-02 -1.2451431D-02 5.6398856D-03 -1.8816286D-03 34 4.6446516D-02 -2.7261036D-02 -1.3289201D-02 5.9666261D-03 -1.9966193D-03 35 1.7855626D-02 -1.0676342D-02 -5.3187528D-03 2.5524275D-03 -8.5331874D-04 36 1.7213477D-03 2.0183516D-02 1.3652640D-02 -6.8759947D-03 2.3296740D-03 37 -9.5499219D-05 2.6975660D-02 2.5923665D-02 -1.3236697D-02 4.5541107D-03 38 3.4920553D-05 8.4859927D-03 7.2008159D-03 -4.6723021D-03 1.6516899D-03 39 -1.3449732D-05 4.4837169D-04 -1.6399690D-02 1.4376755D-02 -5.4632611D-03 40 4.2321834D-06 -3.2779059D-06 -9.2535233D-03 1.0763139D-02 -4.3822741D-03 41 -1.0085662D-06 -7.8484948D-07 -5.3082253D-04 -7.6721270D-03 4.2851018D-03 42 2.9276509D-07 -6.0810690D-07 2.8148230D-05 -4.8211556D-03 3.7251789D-03 43 -3.5630462D-08 7.3501446D-08 -3.3007048D-06 -9.4987646D-05 -2.5386767D-03 44 8.4626246D-09 -2.3617168D-08 7.8300890D-07 1.1641600D-05 -1.0959590D-03 2P- 3P- 4P- 5P- -1.7176166D+02 -3.3108281D+01 -5.3080051D+00 -3.7064628D-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 8.1385937D-05 -3.7802028D-05 -1.6278410D-05 4.5931464D-06 2 2.5934227D-04 -1.2050696D-04 -5.1884877D-05 1.4634358D-05 3 7.4799939D-04 -3.4781204D-04 -1.4986961D-04 4.2318069D-05 4 2.1523291D-03 -1.0039601D-03 -4.3223928D-04 1.2176680D-04 5 6.6775963D-03 -3.1286109D-03 -1.3516444D-03 3.8248058D-04 6 2.1784055D-02 -1.0331312D-02 -4.4571700D-03 1.2538025D-03 7 6.7506062D-02 -3.2658446D-02 -1.4214307D-02 4.0335083D-03 8 1.7558200D-01 -8.8650626D-02 -3.8677412D-02 1.0880551D-02 9 3.3417223D-01 -1.7825729D-01 -7.9412887D-02 2.2701486D-02 10 3.7899140D-01 -2.0378590D-01 -8.9093954D-02 2.4728554D-02 11 1.8366555D-01 6.7346323D-02 5.0216277D-02 -1.4125794D-02 12 2.2268406D-02 5.1481068D-01 3.3665673D-01 -1.0453858D-01 13 7.0146176D-04 4.6129743D-01 2.9126380D-01 -8.0775213D-02 14 -2.6185876D-04 8.2417460D-02 -4.2287883D-01 1.5691117D-01 15 5.4193451D-05 -3.3732154D-03 -6.3940453D-01 2.9200125D-01 16 -5.9248525D-05 2.0745879D-03 -1.6403956D-01 -5.4976096D-02 17 1.8452591D-05 -6.2002162D-04 -2.2989257D-03 -6.3147248D-01 18 -4.7902447D-06 1.5843385D-04 -1.2329375D-03 -4.6193903D-01 *** Small Component *** 19 2.0476350D-05 -9.5155275D-06 -4.1035613D-06 1.1605238D-06 20 7.9417772D-05 -3.7006203D-05 -1.5911300D-05 4.4737429D-06 21 2.6563383D-04 -1.2377995D-04 -5.3465791D-05 1.5149060D-05 22 8.3708257D-04 -3.9189884D-04 -1.6857363D-04 4.7365131D-05 23 2.4276712D-03 -1.1393646D-03 -4.9289464D-04 1.3971996D-04 24 6.2673747D-03 -2.9763807D-03 -1.2837348D-03 3.6080555D-04 25 1.3940363D-02 -6.7475386D-03 -2.9378235D-03 8.3402680D-04 26 2.5157240D-02 -1.2712476D-02 -5.5464161D-03 1.5599661D-03 27 3.3081561D-02 -1.7672408D-02 -7.8755171D-03 2.2517506D-03 28 2.6044098D-02 -1.4056047D-02 -6.1497507D-03 1.7068899D-03 29 8.6938901D-03 3.2827366D-03 2.4315907D-03 -6.8355477D-04 30 6.1391814D-04 1.7270523D-02 1.1283052D-02 -3.5031586D-03 31 -6.4443456D-05 1.0836543D-02 6.8418007D-03 -1.8977948D-03 32 -5.4576045D-05 1.2973098D-03 -6.6289422D-03 2.4598646D-03 33 -2.3268442D-05 -3.4604834D-05 -6.8149197D-03 3.1125264D-03 34 -1.8580265D-05 1.5674552D-05 -1.1526983D-03 -3.8747315D-04 35 -7.6217685D-06 -2.1541295D-06 -8.6592265D-06 -2.6506283D-03 36 -5.8504611D-06 7.2858713D-07 -2.2611887D-06 -1.1314999D-03 2P+ 3P+ 4P+ 5P+ -1.6163342D+02 -3.1167928D+01 -4.9363085D+00 -3.3857518D-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 3.9491692D-05 -1.8602571D-05 -8.0066869D-06 2.2051610D-06 2 2.9623290D-04 -1.3975520D-04 -6.0282526D-05 1.6675929D-05 3 1.6182688D-03 -7.6597136D-04 -3.2992973D-04 9.0841828D-05 4 7.1408303D-03 -3.3988877D-03 -1.4687578D-03 4.0648141D-04 5 2.6153860D-02 -1.2614107D-02 -5.4531271D-03 1.5021358D-03 6 7.9255604D-02 -3.9218036D-02 -1.7081341D-02 4.7346526D-03 7 1.8983922D-01 -9.8094881D-02 -4.2980160D-02 1.1856700D-02 8 3.2927398D-01 -1.8039774D-01 -8.0417084D-02 2.2419217D-02 9 3.4771144D-01 -1.8753924D-01 -8.2256770D-02 2.2504374D-02 10 1.7189702D-01 5.8780457D-02 4.6056619D-02 -1.3152754D-02 11 2.6190143D-02 4.5922726D-01 2.9341219D-01 -8.7721347D-02 12 7.3489436D-04 4.7344323D-01 3.3260639D-01 -9.6143262D-02 13 -4.1280244D-05 1.3036198D-01 -2.0453254D-01 7.8271799D-02 14 -7.3535564D-05 5.0511173D-03 -6.2589770D-01 2.5156261D-01 15 -3.0347313D-05 1.5628773D-03 -3.5787441D-01 1.4077953D-01 16 3.4590114D-06 -3.6452181D-04 -3.3841583D-02 -3.3948282D-01 17 -1.3382837D-06 1.3977190D-04 1.9949046D-03 -5.7583783D-01 18 8.9350862D-07 -5.3023581D-05 -1.1258489D-03 -2.6823234D-01 *** Small Component *** 19 6.2678735D-05 -2.9436663D-05 -1.2656327D-05 3.4815088D-06 20 2.9471534D-04 -1.3847682D-04 -5.9699358D-05 1.6522579D-05 21 1.0223254D-03 -4.8179608D-04 -2.0732050D-04 5.7055697D-05 22 2.9372161D-03 -1.3918891D-03 -6.0100549D-04 1.6633729D-04 23 7.1754007D-03 -3.4461184D-03 -1.4884911D-03 4.0992789D-04 24 1.4829006D-02 -7.3090216D-03 -3.1811077D-03 8.8169134D-04 25 2.4680022D-02 -1.2708924D-02 -5.5647712D-03 1.5349178D-03 26 3.0182639D-02 -1.6488307D-02 -7.3463828D-03 2.0479403D-03 27 2.2754168D-02 -1.2249837D-02 -5.3725138D-03 1.4698689D-03 28 8.0681353D-03 2.7268834D-03 2.1394395D-03 -6.1086502D-04 29 8.7604055D-04 1.5295366D-02 9.7670265D-03 -2.9198152D-03 30 1.7577867D-05 1.1352588D-02 7.9723194D-03 -2.3044850D-03 31 -6.6430223D-07 2.2150687D-03 -3.4711012D-03 1.3282410D-03 32 -8.9911799D-07 6.0422533D-05 -7.4774564D-03 3.0050985D-03 33 -2.4230084D-07 1.2883107D-05 -2.9534231D-03 1.1617456D-03 34 1.4398616D-08 -1.8478542D-06 -1.7219775D-04 -1.7271585D-03 35 -2.8674994D-09 4.5369150D-07 6.5268528D-06 -1.8833327D-03 36 1.3439426D-09 -1.0707065D-07 -2.2982197D-06 -5.4741787D-04 3D- 4D- -2.2426587D+01 -1.9899923D+00 ------------ ------------ *** Large Component *** 1 2.4152901D-04 -9.6848805D-05 2 1.9874502D-03 -7.9383327D-04 3 1.1522691D-02 -4.6558547D-03 4 4.7481674D-02 -1.9237494D-02 5 1.4079828D-01 -5.8370128D-02 6 2.8831641D-01 -1.1839118D-01 7 3.8444653D-01 -1.5072044D-01 8 2.7718161D-01 -3.3704806D-02 9 7.8070808D-02 2.7460833D-01 10 4.5360182D-03 4.7002678D-01 11 3.7060054D-04 3.4072310D-01 12 -1.1479929D-04 8.6003666D-02 *** Small Component *** 13 8.6553029D-05 -3.4782973D-05 14 5.1419651D-04 -2.0528474D-04 15 1.9831735D-03 -8.0148206D-04 16 5.5137180D-03 -2.2337968D-03 17 1.1251137D-02 -4.6647742D-03 18 1.6145929D-02 -6.6314582D-03 19 1.5207043D-02 -5.9640227D-03 20 7.7886093D-03 -9.4862598D-04 21 1.5373294D-03 5.4289512D-03 22 5.8823934D-05 6.4236369D-03 23 2.2538003D-06 3.1528873D-03 24 -1.3322876D-06 5.1013732D-04 3D+ 4D+ -2.2026629D+01 -1.9320240D+00 ------------ ------------ *** Large Component *** 1 2.7927354D-04 -1.1173119D-04 2 2.6353041D-03 -1.0507212D-03 3 1.4993335D-02 -6.0440400D-03 4 5.8332887D-02 -2.3638513D-02 5 1.6168826D-01 -6.6978691D-02 6 3.0679992D-01 -1.2511482D-01 7 3.7814158D-01 -1.4463991D-01 8 2.4500318D-01 -1.1540927D-03 9 6.1398816D-02 3.0125911D-01 10 3.1284541D-03 4.6371526D-01 11 2.6199625D-04 3.1638649D-01 12 -8.4635358D-05 7.5475003D-02 *** Small Component *** 13 1.2402833D-04 -4.9599929D-05 14 6.7088047D-04 -2.6728026D-04 15 2.4192532D-03 -9.7469063D-04 16 6.2953038D-03 -2.5496662D-03 17 1.2053388D-02 -4.9908276D-03 18 1.6108910D-02 -6.5669072D-03 19 1.4107342D-02 -5.3949205D-03 20 6.5325921D-03 -3.2686156D-05 21 1.1564345D-03 5.6707482D-03 22 4.0939575D-05 6.0571353D-03 23 2.3051811D-06 2.8098969D-03 24 -4.7725700D-07 4.3126675D-04 * Radial Moments Sym Orb S+ 1 6.71202D+03 5.55736D+01 2.78054D-02 1.04767D-03 4.98847D-05 2.87473D-06 2 7.85155D+02 1.29648D+01 1.19264D-01 1.68383D-02 2.70788D-03 4.90676D-04 3 1.57704D+02 4.62652D+00 3.20215D-01 1.17320D-01 4.74212D-02 2.09779D-02 4 3.20824D+01 1.81463D+00 7.66265D-01 6.62595D-01 6.27559D-01 6.47125D-01 5 3.73028D+00 6.01981D-01 2.14076D+00 5.20925D+00 1.41557D+01 4.27259D+01 P- 1 2.51102D+02 1.29082D+01 1.00918D-01 1.25290D-02 1.84955D-03 3.17166D-04 2 5.03908D+01 4.52589D+00 3.11181D-01 1.12509D-01 4.53746D-02 2.02293D-02 3 9.84805D+00 1.70094D+00 8.04896D-01 7.37797D-01 7.47570D-01 8.32789D-01 4 9.16657D-01 4.93487D-01 2.59335D+00 7.74093D+00 2.61334D+01 9.88672D+01 P+ 1 1.94564D+02 1.19516D+01 1.06453D-01 1.38130D-02 2.12141D-03 3.77469D-04 2 3.95135D+01 4.29405D+00 3.22253D-01 1.20464D-01 5.01966D-02 2.31058D-02 3 7.80918D+00 1.63109D+00 8.31393D-01 7.87148D-01 8.24124D-01 9.49256D-01 4 7.19091D-01 4.69837D-01 2.71582D+00 8.51846D+00 3.03972D+01 1.22592D+02 D- 1 2.14769D+01 4.13274D+00 2.93718D-01 1.02121D-01 4.12378D-02 1.90550D-02 2 3.47810D+00 1.37386D+00 9.61130D-01 1.08157D+00 1.38939D+00 2.02715D+00 D+ 1 2.07303D+01 4.07261D+00 2.97261D-01 1.04456D-01 4.25971D-02 1.98677D-02 2 3.34677D+00 1.35419D+00 9.73237D-01 1.10909D+00 1.44345D+00 2.13494D+00 ****************************************************************************** Iodine [Kr]5s(2)4d(10)5p(5) Nuclear Charge = 53.0000000000 Atomic Mass = 127.0000000000 Nuclear Radius = 1.164232D-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 2 2 Open Shells 0 1 1 0 0 Conf Weight Open Shell Occupation Numbers 1 0.66666667 0.0 2.0 3.0 0.0 0.0 2 0.33333333 0.0 1.0 4.0 0.0 0.0 * Energies Total Energy = -7.11579061681151D+03 Mass Energy = -7.11535882686132D+03 Kinetic Energy = 1.46577160479870D+04 Potential Energy = -1.46581478379372D+04 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.6193970592D+07 1.0000000000D+00 1.0000000000D+00 2 9.3688860448D+06 1.0000000000D+00 1.0000000000D+00 3 2.4680877777D+06 1.0000000000D+00 1.0000000000D+00 4 7.3132936593D+05 1.0000000000D+00 1.0000000000D+00 5 2.3887657855D+05 1.0000000000D+00 1.0000000000D+00 6 8.4277457408D+04 1.0000000000D+00 1.0000000000D+00 7 3.1770562438D+04 1.0000000000D+00 1.0000000000D+00 8 1.2677748941D+04 1.0000000000D+00 1.0000000000D+00 9 5.3154451827D+03 1.0000000000D+00 1.0000000000D+00 10 2.3265210083D+03 1.0000000000D+00 1.0000000000D+00 11 1.0573414572D+03 1.0000000000D+00 1.0000000000D+00 12 4.9675062473D+02 1.0000000000D+00 1.0000000000D+00 13 2.3942032354D+02 1.0000000000D+00 1.0000000000D+00 14 1.0923120198D+02 1.0000000000D+00 1.0000000000D+00 15 5.4297493279D+01 1.0000000000D+00 1.0000000000D+00 16 2.7254563031D+01 1.0000000000D+00 1.0000000000D+00 17 1.3042599813D+01 1.0000000000D+00 1.0000000000D+00 18 6.6468682585D+00 1.0000000000D+00 1.0000000000D+00 19 2.7294413497D+00 1.0000000000D+00 1.0000000000D+00 20 1.2848000855D+00 1.0000000000D+00 1.0000000000D+00 21 3.2553572639D-01 1.0000000000D+00 1.0000000000D+00 22 1.2627136051D-01 1.0000000000D+00 1.0000000000D+00 P- 1 2.4005793852D+06 1.0000000000D+00 1.0000000000D+00 2 3.4969035002D+05 1.0000000000D+00 1.0000000000D+00 3 7.3255232963D+04 1.0000000000D+00 1.0000000000D+00 4 1.9066959412D+04 1.0000000000D+00 1.0000000000D+00 5 5.8699577593D+03 1.0000000000D+00 1.0000000000D+00 6 2.0720803115D+03 1.0000000000D+00 1.0000000000D+00 7 8.1459717591D+02 1.0000000000D+00 1.0000000000D+00 8 3.4767959038D+02 1.0000000000D+00 1.0000000000D+00 9 1.5737386839D+02 1.0000000000D+00 1.0000000000D+00 10 7.4305729443D+01 1.0000000000D+00 1.0000000000D+00 11 3.5797476111D+01 1.0000000000D+00 1.0000000000D+00 12 1.7150031834D+01 1.0000000000D+00 1.0000000000D+00 13 8.4117277632D+00 1.0000000000D+00 1.0000000000D+00 14 3.7400228830D+00 1.0000000000D+00 1.0000000000D+00 15 1.7061883568D+00 1.0000000000D+00 1.0000000000D+00 16 6.9424154410D-01 1.0000000000D+00 1.0000000000D+00 17 2.7786956955D-01 1.0000000000D+00 1.0000000000D+00 18 9.8994509476D-02 1.0000000000D+00 1.0000000000D+00 P+ 1 1.3052530339D+05 1.0000000000D+00 1.0000000000D+00 2 2.8315559245D+04 1.0000000000D+00 1.0000000000D+00 3 8.6604748718D+03 1.0000000000D+00 1.0000000000D+00 4 3.1673182196D+03 1.0000000000D+00 1.0000000000D+00 5 1.2981823855D+03 1.0000000000D+00 1.0000000000D+00 6 5.7633552326D+02 1.0000000000D+00 1.0000000000D+00 7 2.7136364626D+02 1.0000000000D+00 1.0000000000D+00 8 1.3323391004D+02 1.0000000000D+00 1.0000000000D+00 9 6.7508149937D+01 1.0000000000D+00 1.0000000000D+00 10 3.4692714008D+01 1.0000000000D+00 1.0000000000D+00 11 1.7646028694D+01 1.0000000000D+00 1.0000000000D+00 12 9.1658337700D+00 1.0000000000D+00 1.0000000000D+00 13 4.6316854193D+00 1.0000000000D+00 1.0000000000D+00 14 2.3090397546D+00 1.0000000000D+00 1.0000000000D+00 15 1.1177322532D+00 1.0000000000D+00 1.0000000000D+00 16 4.4004317901D-01 1.0000000000D+00 1.0000000000D+00 17 1.8358118040D-01 1.0000000000D+00 1.0000000000D+00 18 7.2035728894D-02 1.0000000000D+00 1.0000000000D+00 D- 1 4.1183143114D+03 1.0000000000D+00 1.0000000000D+00 2 1.0849948575D+03 1.0000000000D+00 1.0000000000D+00 3 3.9144704880D+02 1.0000000000D+00 1.0000000000D+00 4 1.6499380526D+02 1.0000000000D+00 1.0000000000D+00 5 7.5820684411D+01 1.0000000000D+00 1.0000000000D+00 6 3.6799210772D+01 1.0000000000D+00 1.0000000000D+00 7 1.8297574004D+01 1.0000000000D+00 1.0000000000D+00 8 9.2499844808D+00 1.0000000000D+00 1.0000000000D+00 9 4.5932739234D+00 1.0000000000D+00 1.0000000000D+00 10 2.2125436107D+00 1.0000000000D+00 1.0000000000D+00 11 1.0254667808D+00 1.0000000000D+00 1.0000000000D+00 12 4.2453004233D-01 1.0000000000D+00 1.0000000000D+00 D+ 1 2.7223956916D+03 1.0000000000D+00 1.0000000000D+00 2 8.0753977644D+02 1.0000000000D+00 1.0000000000D+00 3 3.1138099567D+02 1.0000000000D+00 1.0000000000D+00 4 1.3669245545D+02 1.0000000000D+00 1.0000000000D+00 5 6.4637797311D+01 1.0000000000D+00 1.0000000000D+00 6 3.1991114529D+01 1.0000000000D+00 1.0000000000D+00 7 1.6169502955D+01 1.0000000000D+00 1.0000000000D+00 8 8.2830913714D+00 1.0000000000D+00 1.0000000000D+00 9 4.1594301153D+00 1.0000000000D+00 1.0000000000D+00 10 2.0202772911D+00 1.0000000000D+00 1.0000000000D+00 11 9.4404337313D-01 1.0000000000D+00 1.0000000000D+00 12 3.9311941173D-01 1.0000000000D+00 1.0000000000D+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -1.2259951D+03 -1.9302935D+02 -4.0525804D+01 -7.7597164D+00 -8.7641019D-01 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 5.1578313D-05 -1.7928266D-05 -8.0221309D-06 3.6197531D-06 1.2518010D-06 2 1.4681863D-04 -5.1201457D-05 -2.2926145D-05 1.0339705D-05 3.5762074D-06 3 3.8877844D-04 -1.3606620D-04 -6.0937649D-05 2.7510594D-05 9.5136749D-06 4 9.8375432D-04 -3.4645492D-04 -1.5537223D-04 7.0065165D-05 2.4236887D-05 5 2.4829801D-03 -8.7974796D-04 -3.9461533D-04 1.7831923D-04 6.1663816D-05 6 6.2604762D-03 -2.2391972D-03 -1.0067067D-03 4.5384824D-04 1.5703221D-04 7 1.5669410D-02 -5.6577534D-03 -2.5439667D-03 1.1512987D-03 3.9810029D-04 8 3.8134174D-02 -1.4048306D-02 -6.3459803D-03 2.8603825D-03 9.9009033D-04 9 8.7459922D-02 -3.3266359D-02 -1.5068365D-02 6.8400220D-03 2.3653261D-03 10 1.7857871D-01 -7.3166331D-02 -3.3613145D-02 1.5174682D-02 5.2579955D-03 11 2.9433585D-01 -1.3810607D-01 -6.4596986D-02 2.9620044D-02 1.0251491D-02 12 3.2328182D-01 -1.9669968D-01 -9.6704488D-02 4.3976388D-02 1.5298617D-02 13 1.7257940D-01 -1.0047549D-01 -4.9933466D-02 2.4334887D-02 8.3950489D-03 14 2.3729357D-02 3.2288427D-01 2.2247517D-01 -1.1354489D-01 -3.9858696D-02 15 -1.6558683D-03 5.8375140D-01 5.6970151D-01 -2.9566860D-01 -1.0605387D-01 16 8.5597797D-04 2.5202431D-01 2.0818346D-01 -1.3833101D-01 -5.0341914D-02 17 -4.9397199D-04 1.8329513D-02 -7.4167414D-01 6.6546806D-01 2.6280196D-01 18 2.1352147D-04 1.8963485D-04 -5.7428388D-01 6.7872479D-01 2.9078903D-01 19 -8.0379393D-05 -2.4339538D-04 -5.3192811D-02 -7.6249561D-01 -4.5031410D-01 20 3.4957124D-05 -1.7284279D-05 4.0134296D-03 -7.0934711D-01 -5.7418686D-01 21 -8.5907682D-06 -2.5365672D-06 -9.4577581D-04 -2.9728627D-02 7.7262509D-01 22 3.0837081D-06 3.2428871D-06 3.6892602D-04 5.3625178D-03 5.2615748D-01 *** Small Component *** 23 9.9561608D-05 -3.4520964D-05 -1.5436879D-05 6.9703357D-06 2.4101168D-06 24 3.4706641D-04 -1.2046122D-04 -5.3914862D-05 2.4293893D-05 8.4035370D-06 25 8.2215828D-04 -2.8515889D-04 -1.2750512D-04 5.7595569D-05 1.9913282D-05 26 1.8178662D-03 -6.3171570D-04 -2.8283573D-04 1.2738766D-04 4.4069352D-05 27 3.7224721D-03 -1.2935554D-03 -5.7845969D-04 2.6144399D-04 9.0384818D-05 28 7.2353330D-03 -2.5265832D-03 -1.1322752D-03 5.0975184D-04 1.7637237D-04 29 1.3327423D-02 -4.6778080D-03 -2.0945162D-03 9.4761038D-04 3.2757916D-04 30 2.3153731D-02 -8.2753165D-03 -3.7227501D-03 1.6757928D-03 5.8000110D-04 31 3.7219215D-02 -1.3722978D-02 -6.1885993D-03 2.8075427D-03 9.7063658D-04 32 5.2833607D-02 -2.1000876D-02 -9.6089590D-03 4.3333256D-03 1.5012952D-03 33 6.0489651D-02 -2.7581402D-02 -1.2853264D-02 5.8900697D-03 2.0381941D-03 34 4.6327154D-02 -2.7470267D-02 -1.3466755D-02 6.1201119D-03 2.1288567D-03 35 1.7321044D-02 -9.9832209D-03 -4.9782591D-03 2.4249055D-03 8.3680305D-04 36 1.6150431D-03 2.1201986D-02 1.4535057D-02 -7.4130252D-03 -2.6016832D-03 37 -8.0106342D-05 2.7252942D-02 2.6495435D-02 -1.3742642D-02 -4.9288304D-03 38 2.9295917D-05 8.3442720D-03 6.8950423D-03 -4.5814330D-03 -1.6674667D-03 39 -1.1688780D-05 4.2280093D-04 -1.6921629D-02 1.5170693D-02 5.9901485D-03 40 3.6337028D-06 1.6874101D-06 -9.3664672D-03 1.1062981D-02 4.7396790D-03 41 -8.8314847D-07 -1.9758034D-06 -5.5523823D-04 -7.9604938D-03 -4.7004611D-03 42 2.6475336D-07 -3.5971414D-07 2.8520837D-05 -5.0820728D-03 -4.1132426D-03 43 -3.3601819D-08 5.2012747D-08 -3.3463837D-06 -1.0722082D-04 2.7858672D-03 44 7.7960039D-09 -1.7185252D-08 8.0241350D-07 1.2048019D-05 1.1816102D-03 2P- 3P- 4P- 5P- -1.8058878D+02 -3.5343675D+01 -5.8689773D+00 -4.3026964D-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 8.5822774D-05 -4.0067935D-05 -1.7509267D-05 5.2449701D-06 2 2.7314816D-04 -1.2757405D-04 -5.5737789D-05 1.6692426D-05 3 7.8649140D-04 -3.6760603D-04 -1.6075186D-04 4.8177149D-05 4 2.2527203D-03 -1.0561976D-03 -4.6138574D-04 1.3807389D-04 5 6.9444162D-03 -3.2711669D-03 -1.4345875D-03 4.3059994D-04 6 2.2541790D-02 -1.0748724D-02 -4.7045824D-03 1.4068204D-03 7 6.9640787D-02 -3.3896141D-02 -1.4982361D-02 4.5074362D-03 8 1.8042108D-01 -9.1677610D-02 -4.0583997D-02 1.2146099D-02 9 3.4027915D-01 -1.8286956D-01 -8.2830927D-02 2.5080742D-02 10 3.7757849D-01 -2.0197647D-01 -8.9082023D-02 2.6398328D-02 11 1.7449168D-01 8.7879544D-02 6.2324691D-02 -1.9249261D-02 12 1.8815276D-02 5.3215118D-01 3.5906503D-01 -1.1794166D-01 13 8.9837343D-04 4.3990275D-01 2.6771369D-01 -7.9090576D-02 14 -4.1345724D-04 7.1086969D-02 -4.8317543D-01 1.9856156D-01 15 1.2212167D-04 -3.0769986D-03 -6.2875067D-01 3.0353165D-01 16 -8.6269013D-05 1.7987820D-03 -1.1912590D-01 -1.3335670D-01 17 3.5333351D-05 -6.9346737D-04 3.8129174D-03 -6.4046098D-01 18 -8.9930120D-06 1.6634414D-04 -2.3166113D-03 -4.0174595D-01 *** Small Component *** 19 2.1873188D-05 -1.0217789D-05 -4.4725172D-06 1.3417604D-06 20 8.4371588D-05 -3.9513771D-05 -1.7234905D-05 5.1511414D-06 21 2.8042533D-04 -1.3137290D-04 -5.7609723D-05 1.7305320D-05 22 8.7918005D-04 -4.1374682D-04 -1.8052846D-04 5.3933573D-05 23 2.5412447D-03 -1.1992874D-03 -5.2677623D-04 1.5830458D-04 24 6.5503375D-03 -3.1278253D-03 -1.3685166D-03 4.0900041D-04 25 1.4545989D-02 -7.0839187D-03 -3.1324331D-03 9.4268816D-04 26 2.6144569D-02 -1.3296754D-02 -5.8862179D-03 1.7614127D-03 27 3.4037796D-02 -1.8321023D-02 -8.3015340D-03 2.5140116D-03 28 2.6176417D-02 -1.4059003D-02 -6.2058221D-03 1.8391285D-03 29 8.2981968D-03 4.3067642D-03 3.0381254D-03 -9.3776997D-04 30 4.9794462D-04 1.7986845D-02 1.2124533D-02 -3.9820015D-03 31 -6.4261396D-05 1.0420762D-02 6.3426567D-03 -1.8743062D-03 32 -5.8529238D-05 1.1254657D-03 -7.6159665D-03 3.1300214D-03 33 -2.5506703D-05 -3.1282784D-05 -6.6977059D-03 3.2337923D-03 34 -1.8602583D-05 1.3255805D-05 -8.0750199D-04 -9.0695280D-04 35 -6.3766875D-06 -2.6098964D-06 1.7258074D-05 -2.7545776D-03 36 -6.7407282D-06 8.0865251D-07 -5.0535352D-06 -1.0314482D-03 2P+ 3P+ 4P+ 5P+ -1.6956765D+02 -3.3213368D+01 -5.4505275D+00 -3.8844829D-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 3.9988554D-05 -1.8946560D-05 -8.2807932D-06 2.4199033D-06 2 2.9840593D-04 -1.4160480D-04 -6.2015597D-05 1.8205111D-05 3 1.6226051D-03 -7.7259028D-04 -3.3793853D-04 9.8725873D-05 4 7.1243683D-03 -3.4110765D-03 -1.4966556D-03 4.3957126D-04 5 2.6027314D-02 -1.2627623D-02 -5.5438410D-03 1.6203411D-03 6 7.8740012D-02 -3.9187931D-02 -1.7331694D-02 5.0987898D-03 7 1.8840776D-01 -9.7910872D-02 -4.3573665D-02 1.2755023D-02 8 3.2719405D-01 -1.8022185D-01 -8.1591706D-02 2.4150017D-02 9 3.4778407D-01 -1.8900728D-01 -8.4282640D-02 2.4462918D-02 10 1.7454509D-01 5.4217031D-02 4.4687640D-02 -1.3570531D-02 11 2.7323940D-02 4.5589065D-01 2.9714049D-01 -9.4700461D-02 12 7.2037337D-04 4.7537707D-01 3.4053720D-01 -1.0468022D-01 13 -2.2760072D-05 1.3422678D-01 -2.0060382D-01 8.2418824D-02 14 -8.7375908D-05 5.6422238D-03 -6.3038331D-01 2.7479603D-01 15 -2.6327233D-05 1.5522670D-03 -3.5697006D-01 1.4831533D-01 16 2.4708213D-06 -3.7938792D-04 -3.4548354D-02 -3.6265356D-01 17 -4.0730747D-07 1.3065856D-04 1.3148482D-03 -5.7533548D-01 18 8.2489012D-07 -5.3861860D-05 -1.1025183D-03 -2.5350615D-01 *** Small Component *** 19 6.3736747D-05 -3.0106457D-05 -1.3144436D-05 3.8362413D-06 20 3.0044777D-04 -1.4197720D-04 -6.2142527D-05 1.8251736D-05 21 1.0413399D-03 -4.9359585D-04 -2.1568179D-04 6.2976959D-05 22 2.9857974D-03 -1.4230056D-03 -6.2384348D-04 1.8323337D-04 23 7.2893324D-03 -3.5209920D-03 -1.5444055D-03 4.5127841D-04 24 1.5058967D-02 -7.4639300D-03 -3.2985258D-03 9.7031992D-04 25 2.5065054D-02 -1.2978824D-02 -5.7720316D-03 1.6893577D-03 26 3.0728754D-02 -1.6874607D-02 -7.6355268D-03 2.2598474D-03 27 2.3346178D-02 -1.2663008D-02 -5.6462203D-03 1.6388265D-03 28 8.4144167D-03 2.5798790D-03 2.1302293D-03 -6.4676261D-04 29 9.4008260D-04 1.5614728D-02 1.0171220D-02 -3.2413499D-03 30 1.7760165D-05 1.1747808D-02 8.4120065D-03 -2.5858311D-03 31 -3.6144756D-07 2.3584879D-03 -3.5201221D-03 1.4461327D-03 32 -1.1048757D-06 7.0048660D-05 -7.8153365D-03 3.4065233D-03 33 -2.1845703D-07 1.3371087D-05 -3.0794175D-03 1.2793773D-03 34 9.9496904D-09 -2.0445972D-06 -1.8700356D-04 -1.9626849D-03 35 1.4712896D-10 4.5244066D-07 4.5980218D-06 -2.0112096D-03 36 1.3145516D-09 -1.1654432D-07 -2.4145950D-06 -5.5511755D-04 3D- 4D- -2.4192750D+01 -2.3420125D+00 ------------ ------------ *** Large Component *** 1 2.3048082D-04 -9.5167469D-05 2 1.8810932D-03 -7.7384641D-04 3 1.0924574D-02 -4.5457805D-03 4 4.5342852D-02 -1.8920275D-02 5 1.3593407D-01 -5.8036676D-02 6 2.8255371D-01 -1.1973491D-01 7 3.8362329D-01 -1.5561201D-01 8 2.8400673D-01 -4.1806598D-02 9 8.3350829D-02 2.7123030D-01 10 5.2557516D-03 4.7571768D-01 11 3.5276786D-04 3.3973658D-01 12 -1.2100001D-04 8.1605511D-02 *** Small Component *** 13 8.3703729D-05 -3.4642059D-05 14 5.0113046D-04 -2.0605535D-04 15 1.9465478D-03 -8.1014364D-04 16 5.4629550D-03 -2.2794110D-03 17 1.1281927D-02 -4.8172380D-03 18 1.6449781D-02 -6.9723637D-03 19 1.5796001D-02 -6.4098956D-03 20 8.3217515D-03 -1.2269436D-03 21 1.7167955D-03 5.6084552D-03 22 7.1857729D-05 6.8294376D-03 23 2.1074386D-06 3.3207080D-03 24 -1.5271425D-06 5.1299229D-04 3D+ 4D+ -2.3751240D+01 -2.2747129D+00 ------------ ------------ *** Large Component *** 1 2.6585289D-04 -1.0961301D-04 2 2.5099022D-03 -1.0312708D-03 3 1.4314936D-02 -5.9471061D-03 4 5.6070607D-02 -2.3415701D-02 5 1.5688828D-01 -6.6996311D-02 6 3.0147442D-01 -1.2697904D-01 7 3.7811836D-01 -1.4993733D-01 8 2.5172403D-01 -8.6930515D-03 9 6.5810198D-02 2.9950253D-01 10 3.6195379D-03 4.6965816D-01 11 2.4973689D-04 3.1407646D-01 12 -9.1405806D-05 7.1032117D-02 *** Small Component *** 13 1.2172436D-04 -5.0164998D-05 14 6.6029732D-04 -2.7107960D-04 15 2.3902161D-03 -9.9241089D-04 16 6.2687745D-03 -2.6163546D-03 17 1.2127512D-02 -5.1763319D-03 18 1.6436552D-02 -6.9202321D-03 19 1.4673186D-02 -5.8170633D-03 20 6.9962031D-03 -2.4368103D-04 21 1.2962117D-03 5.8951516D-03 22 4.9751768D-05 6.4439979D-03 23 2.3178193D-06 2.9460043D-03 24 -5.4613909D-07 4.2995027D-04 * Radial Moments Sym Orb S+ 1 7.04460D+03 5.68357D+01 2.72177D-02 1.00435D-03 4.68474D-05 2.64486D-06 2 8.29296D+02 1.32859D+01 1.16597D-01 1.60972D-02 2.53134D-03 4.48485D-04 3 1.67841D+02 4.75442D+00 3.12242D-01 1.11551D-01 4.39545D-02 1.89476D-02 4 3.48973D+01 1.88194D+00 7.40959D-01 6.19262D-01 5.66272D-01 5.62975D-01 5 4.35590D+00 6.42132D-01 2.01358D+00 4.59901D+00 1.16977D+01 3.29638D+01 P- 1 2.64976D+02 1.32291D+01 9.85680D-02 1.19561D-02 1.72455D-03 2.88955D-04 2 5.36227D+01 4.65434D+00 3.03022D-01 1.06685D-01 4.18828D-02 1.81685D-02 3 1.07497D+01 1.77003D+00 7.75309D-01 6.84043D-01 6.66160D-01 7.12253D-01 4 1.11075D+00 5.35987D-01 2.39947D+00 6.61787D+00 2.06221D+01 7.20559D+01 P+ 1 2.03014D+02 1.22084D+01 1.04207D-01 1.32347D-02 1.98920D-03 3.46329D-04 2 4.15921D+01 4.40614D+00 3.14221D-01 1.14523D-01 4.65094D-02 2.08550D-02 3 8.43894D+00 1.69499D+00 8.01471D-01 7.30923D-01 7.35976D-01 8.13833D-01 4 8.60698D-01 5.09334D-01 2.51560D+00 7.29433D+00 2.40068D+01 8.91677D+01 D- 1 2.26679D+01 4.24727D+00 2.85565D-01 9.64520D-02 3.78064D-02 1.69441D-02 2 3.83922D+00 1.44582D+00 9.12726D-01 9.72463D-01 1.17788D+00 1.61362D+00 D+ 1 2.18485D+01 4.18307D+00 2.89138D-01 9.87371D-02 3.90969D-02 1.76920D-02 2 3.69219D+00 1.42512D+00 9.24054D-01 9.96734D-01 1.22264D+00 1.69706D+00 ****************************************************************************** Xenon [Kr]5s(2)4d(10)5p(6) Nuclear Charge = 54.0000000000 Atomic Mass = 132.0000000000 Nuclear Radius = 1.177513D-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ Number of Closed Shells 5 4 4 2 2 Open Shells 0 0 0 0 0 * Energies Total Energy = -7.44689158318669D+03 Mass Energy = -7.44640048621074D+03 Kinetic Energy = 1.53577981316905D+04 Potential Energy = -1.53582892286665D+04 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 4.5296919546D+07 1.0000000000D+00 1.0000000000D+00 2 9.1919606567D+06 1.0000000000D+00 1.0000000000D+00 3 2.4205352424D+06 1.0000000000D+00 1.0000000000D+00 4 7.1697474439D+05 1.0000000000D+00 1.0000000000D+00 5 2.3429505222D+05 1.0000000000D+00 1.0000000000D+00 6 8.2683991848D+04 1.0000000000D+00 1.0000000000D+00 7 3.1188397731D+04 1.0000000000D+00 1.0000000000D+00 8 1.2458555404D+04 1.0000000000D+00 1.0000000000D+00 9 5.2326764284D+03 1.0000000000D+00 1.0000000000D+00 10 2.2966219251D+03 1.0000000000D+00 1.0000000000D+00 11 1.0475144728D+03 1.0000000000D+00 1.0000000000D+00 12 4.9410213700D+02 1.0000000000D+00 1.0000000000D+00 13 2.3930122618D+02 1.0000000000D+00 1.0000000000D+00 14 1.1070003158D+02 1.0000000000D+00 1.0000000000D+00 15 5.5099758407D+01 1.0000000000D+00 1.0000000000D+00 16 2.7647325162D+01 1.0000000000D+00 1.0000000000D+00 17 1.3501978577D+01 1.0000000000D+00 1.0000000000D+00 18 6.9198783009D+00 1.0000000000D+00 1.0000000000D+00 19 2.9040805295D+00 1.0000000000D+00 1.0000000000D+00 20 1.3865262244D+00 1.0000000000D+00 1.0000000000D+00 21 3.6815249432D-01 1.0000000000D+00 1.0000000000D+00 22 1.4354132422D-01 1.0000000000D+00 1.0000000000D+00 P- 1 2.4403156851D+06 1.0000000000D+00 1.0000000000D+00 2 3.5566783116D+05 1.0000000000D+00 1.0000000000D+00 3 7.4527208662D+04 1.0000000000D+00 1.0000000000D+00 4 1.9388074165D+04 1.0000000000D+00 1.0000000000D+00 5 5.9632542188D+03 1.0000000000D+00 1.0000000000D+00 6 2.1033385560D+03 1.0000000000D+00 1.0000000000D+00 7 8.2675915138D+02 1.0000000000D+00 1.0000000000D+00 8 3.5300197251D+02 1.0000000000D+00 1.0000000000D+00 9 1.5990532837D+02 1.0000000000D+00 1.0000000000D+00 10 7.5577260410D+01 1.0000000000D+00 1.0000000000D+00 11 3.6390633998D+01 1.0000000000D+00 1.0000000000D+00 12 1.7527121795D+01 1.0000000000D+00 1.0000000000D+00 13 8.6437621290D+00 1.0000000000D+00 1.0000000000D+00 14 3.8754523733D+00 1.0000000000D+00 1.0000000000D+00 15 1.7739633474D+00 1.0000000000D+00 1.0000000000D+00 16 6.9531455724D-01 1.0000000000D+00 1.0000000000D+00 17 2.9300801091D-01 1.0000000000D+00 1.0000000000D+00 18 1.0819213897D-01 1.0000000000D+00 1.0000000000D+00 P+ 1 1.2963389459D+05 1.0000000000D+00 1.0000000000D+00 2 2.8126221639D+04 1.0000000000D+00 1.0000000000D+00 3 8.6057899358D+03 1.0000000000D+00 1.0000000000D+00 4 3.1505303882D+03 1.0000000000D+00 1.0000000000D+00 5 1.2930839742D+03 1.0000000000D+00 1.0000000000D+00 6 5.7507043354D+02 1.0000000000D+00 1.0000000000D+00 7 2.7138509415D+02 1.0000000000D+00 1.0000000000D+00 8 1.3364528361D+02 1.0000000000D+00 1.0000000000D+00 9 6.7955196788D+01 1.0000000000D+00 1.0000000000D+00 10 3.5047088746D+01 1.0000000000D+00 1.0000000000D+00 11 1.7956947130D+01 1.0000000000D+00 1.0000000000D+00 12 9.3975244150D+00 1.0000000000D+00 1.0000000000D+00 13 4.7840207654D+00 1.0000000000D+00 1.0000000000D+00 14 2.4056194174D+00 1.0000000000D+00 1.0000000000D+00 15 1.1843987593D+00 1.0000000000D+00 1.0000000000D+00 16 4.8590081580D-01 1.0000000000D+00 1.0000000000D+00 17 2.0442981320D-01 1.0000000000D+00 1.0000000000D+00 18 8.1018022967D-02 1.0000000000D+00 1.0000000000D+00 D- 1 4.1507067236D+03 1.0000000000D+00 1.0000000000D+00 2 1.0920855800D+03 1.0000000000D+00 1.0000000000D+00 3 3.9422721786D+02 1.0000000000D+00 1.0000000000D+00 4 1.6637893372D+02 1.0000000000D+00 1.0000000000D+00 5 7.6696013332D+01 1.0000000000D+00 1.0000000000D+00 6 3.7389204751D+01 1.0000000000D+00 1.0000000000D+00 7 1.8708689610D+01 1.0000000000D+00 1.0000000000D+00 8 9.5334299010D+00 1.0000000000D+00 1.0000000000D+00 9 4.7850343296D+00 1.0000000000D+00 1.0000000000D+00 10 2.3316487226D+00 1.0000000000D+00 1.0000000000D+00 11 1.0957944909D+00 1.0000000000D+00 1.0000000000D+00 12 4.5785900216D-01 1.0000000000D+00 1.0000000000D+00 D+ 1 2.7313214823D+03 1.0000000000D+00 1.0000000000D+00 2 8.1125628636D+02 1.0000000000D+00 1.0000000000D+00 3 3.1303001742D+02 1.0000000000D+00 1.0000000000D+00 4 1.3764640283D+02 1.0000000000D+00 1.0000000000D+00 5 6.5315368549D+01 1.0000000000D+00 1.0000000000D+00 6 3.2462061256D+01 1.0000000000D+00 1.0000000000D+00 7 1.6510969332D+01 1.0000000000D+00 1.0000000000D+00 8 8.5200325083D+00 1.0000000000D+00 1.0000000000D+00 9 4.3253158983D+00 1.0000000000D+00 1.0000000000D+00 10 2.1282065180D+00 1.0000000000D+00 1.0000000000D+00 11 1.0082369613D+00 1.0000000000D+00 1.0000000000D+00 12 4.2322275913D-01 1.0000000000D+00 1.0000000000D+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -1.2772550D+03 -2.0246438D+02 -4.3009964D+01 -8.4294483D+00 -1.0097641D+00 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 5.6559191D-05 -1.9737661D-05 -8.8673696D-06 4.0447364D-06 1.4430052D-06 2 1.6068643D-04 -5.6264189D-05 -2.5293658D-05 1.1532382D-05 4.1151488D-06 3 4.2472831D-04 -1.4927667D-04 -6.7128238D-05 3.0635060D-05 1.0928838D-05 4 1.0708825D-03 -3.7878924D-04 -1.7055474D-04 7.7757769D-05 2.7751958D-05 5 2.6921056D-03 -9.5837441D-04 -4.3170417D-04 1.9719678D-04 7.0341469D-05 6 6.7620865D-03 -2.4306779D-03 -1.0972202D-03 5.0013534D-04 1.7855993D-04 7 1.6839253D-02 -6.1147976D-03 -2.7617466D-03 1.2633990D-03 4.5058695D-04 8 4.0718567D-02 -1.5096127D-02 -6.8479413D-03 3.1211993D-03 1.1149632D-03 9 9.2466227D-02 -3.5463429D-02 -1.6144087D-02 7.4082304D-03 2.6418867D-03 10 1.8594890D-01 -7.7033195D-02 -3.5564004D-02 1.6239011D-02 5.8088554D-03 11 2.9939417D-01 -1.4281222D-01 -6.7253489D-02 3.1188539D-02 1.1128072D-02 12 3.1710726D-01 -1.9652247D-01 -9.7268364D-02 4.4751908D-02 1.6092515D-02 13 1.5969273D-01 -8.5319582D-02 -4.2115413D-02 2.0933564D-02 7.3758434D-03 14 2.0126107D-02 3.4399600D-01 2.4157229D-01 -1.2486894D-01 -4.5137652D-02 15 -1.0428413D-03 5.7898093D-01 5.7532098D-01 -3.0361257D-01 -1.1294176D-01 16 5.2012252D-04 2.3530458D-01 1.7942655D-01 -1.2392667D-01 -4.5903177D-02 17 -3.1930241D-04 1.4908620D-02 -7.5546836D-01 6.9671445D-01 2.8424010D-01 18 1.2609118D-04 8.2284455D-04 -5.5701659D-01 6.6738997D-01 2.9954555D-01 19 -4.5416099D-05 -4.6822301D-04 -5.2049775D-02 -7.7256509D-01 -4.7978673D-01 20 2.0902173D-05 6.5629827D-05 3.6536858D-03 -7.0994047D-01 -5.9841488D-01 21 -5.1469524D-06 -2.0344774D-05 -8.3955137D-04 -3.0789587D-02 7.9063636D-01 22 1.7319498D-06 1.0315550D-05 3.3515800D-04 5.0370488D-03 5.2884178D-01 *** Small Component *** 23 1.0732007D-04 -3.7357958D-05 -1.6773912D-05 7.6560456D-06 2.7306750D-06 24 3.7390087D-04 -1.3027448D-04 -5.8534193D-05 2.6665713D-05 9.5171636D-06 25 8.8512352D-04 -3.0822491D-04 -1.3838861D-04 6.3186536D-05 2.2534106D-05 26 1.9524087D-03 -6.8110730D-04 -3.0612767D-04 1.3940147D-04 4.9761344D-05 27 3.9882381D-03 -1.3916486D-03 -6.2493857D-04 2.8549181D-04 1.0179955D-04 28 7.7336667D-03 -2.7117433D-03 -1.2199414D-03 5.5531308D-04 1.9827060D-04 29 1.4192716D-02 -5.0051042D-03 -2.2508208D-03 1.0292769D-03 3.6695943D-04 30 2.4529776D-02 -8.8136311D-03 -3.9807753D-03 1.8119790D-03 6.4724202D-04 31 3.9092143D-02 -1.4518102D-02 -6.5790859D-03 3.0170497D-03 1.0756140D-03 32 5.4738673D-02 -2.1977212D-02 -1.0103615D-02 4.6083789D-03 1.6482768D-03 33 6.1334590D-02 -2.8403796D-02 -1.3325283D-02 6.1755225D-03 2.2029790D-03 34 4.5387960D-02 -2.7393963D-02 -1.3519576D-02 6.2162283D-03 2.2350831D-03 35 1.6046204D-02 -8.5176822D-03 -4.2280252D-03 2.1000674D-03 7.4051570D-04 36 1.3808318D-03 2.2752406D-02 1.5895910D-02 -8.2103218D-03 -2.9671104D-03 37 -5.1121284D-05 2.7235122D-02 2.6956628D-02 -1.4217155D-02 -5.2880672D-03 38 1.8044552D-05 7.8482911D-03 5.9913552D-03 -4.1380328D-03 -1.5331551D-03 39 -7.7346462D-06 3.5040481D-04 -1.7538481D-02 1.6160680D-02 6.5919775D-03 40 2.2202853D-06 1.2327152D-05 -9.2699760D-03 1.1099818D-02 4.9818411D-03 41 -5.2772824D-07 -4.4763100D-06 -5.6046605D-04 -8.3195863D-03 -5.1657323D-03 42 1.6923949D-07 2.4909210D-07 2.6964984D-05 -5.2839366D-03 -4.4533045D-03 43 -2.2627548D-08 -1.5081226D-08 -3.1561533D-06 -1.1809251D-04 3.0316769D-03 44 5.1561443D-09 1.1551616D-10 7.7738018D-07 1.2065614D-05 1.2662561D-03 2P- 3P- 4P- 5P- -1.8967898D+02 -3.7659428D+01 -6.4519864D+00 -4.9225827D-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 9.2216549D-05 -4.3266182D-05 -1.9178449D-05 5.9939042D-06 2 2.9289240D-04 -1.3747145D-04 -6.0924750D-05 1.9038263D-05 3 8.4083177D-04 -3.9498224D-04 -1.7520702D-04 5.4775448D-05 4 2.3998868D-03 -1.1307928D-03 -5.0107749D-04 1.5651821D-04 5 7.3588814D-03 -3.4851082D-03 -1.5505423D-03 4.8527330D-04 6 2.3730001D-02 -1.1376165D-02 -5.0513311D-03 1.5775029D-03 7 7.2708708D-02 -3.5617577D-02 -1.5976836D-02 5.0102834D-03 8 1.8630389D-01 -9.5293085D-02 -4.2809905D-02 1.3389001D-02 9 3.4555093D-01 -1.8715457D-01 -8.6106292D-02 2.7161437D-02 10 3.7347438D-01 -1.9815618D-01 -8.8184024D-02 2.7373551D-02 11 1.6544165D-01 1.0646429D-01 7.4117780D-02 -2.4367798D-02 12 1.6152834D-02 5.4214692D-01 3.7564364D-01 -1.2860194D-01 13 1.0908918D-03 4.2163184D-01 2.4975942D-01 -7.7184908D-02 14 -5.3635209D-04 6.4734222D-02 -5.1474890D-01 2.2781965D-01 15 1.7510807D-04 -2.5156804D-03 -6.1784592D-01 3.1030045D-01 16 -1.0807542D-04 1.5011312D-03 -1.0059683D-01 -1.9983056D-01 17 4.8192006D-05 -6.2806607D-04 7.2728389D-03 -6.3644216D-01 18 -1.3258077D-05 1.6360593D-04 -2.1938218D-03 -3.5451003D-01 *** Small Component *** 19 2.3842369D-05 -1.1194555D-05 -4.9704575D-06 1.5548663D-06 20 9.1428966D-05 -4.3024503D-05 -1.9035977D-05 5.9414124D-06 21 3.0173907D-04 -1.4210944D-04 -6.3216743D-05 1.9792509D-05 22 9.4022095D-04 -4.4465487D-04 -1.9680547D-04 6.1413708D-05 23 2.7033373D-03 -1.2829192D-03 -5.7170024D-04 1.7906535D-04 24 6.9304509D-03 -3.3271843D-03 -1.4768197D-03 4.6104859D-04 25 1.5280251D-02 -7.4900222D-03 -3.3612292D-03 1.0542925D-03 26 2.7185346D-02 -1.3918308D-02 -6.2527372D-03 1.9554316D-03 27 3.4828299D-02 -1.8895575D-02 -8.6969501D-03 2.7436873D-03 28 2.6097050D-02 -1.3907358D-02 -6.1948121D-03 1.9231916D-03 29 7.9126338D-03 5.2553373D-03 3.6416915D-03 -1.1965990D-03 30 4.0875087D-04 1.8525555D-02 1.2823059D-02 -4.3893795D-03 31 -6.3564705D-05 1.0125600D-02 5.9999154D-03 -1.8548118D-03 32 -6.2568633D-05 1.0435581D-03 -8.2594259D-03 3.6557764D-03 33 -2.7492921D-05 -2.5711247D-05 -6.7106636D-03 3.3708624D-03 34 -1.9827725D-05 1.1269743D-05 -6.8186358D-04 -1.3599066D-03 35 -5.7049220D-06 -2.4426361D-06 3.2916302D-05 -2.8108621D-03 36 -7.5683372D-06 8.5580052D-07 -4.8632167D-06 -9.5155600D-04 2P+ 3P+ 4P+ 5P+ -1.7770413D+02 -3.5324835D+01 -5.9823751D+00 -4.3950034D-01 ------------ ------------ ------------ ------------ *** Large Component *** 1 4.3799457D-05 -2.0868438D-05 -9.2572501D-06 2.8177395D-06 2 3.2532764D-04 -1.5528844D-04 -6.9038045D-05 2.1107754D-05 3 1.7608989D-03 -8.4332150D-04 -3.7441068D-04 1.1392965D-04 4 7.6840982D-03 -3.7023060D-03 -1.6492452D-03 5.0452206D-04 5 2.7862309D-02 -1.3608219D-02 -6.0652086D-03 1.8465060D-03 6 8.3364037D-02 -4.1816049D-02 -1.8785156D-02 5.7572191D-03 7 1.9616330D-01 -1.0281758D-01 -4.6478234D-02 1.4173102D-02 8 3.3250711D-01 -1.8488045D-01 -8.5102348D-02 2.6256838D-02 9 3.4130098D-01 -1.8363620D-01 -8.2615873D-02 2.4913716D-02 10 1.6376275D-01 7.3071691D-02 5.6142508D-02 -1.7779970D-02 11 2.4049598D-02 4.6768739D-01 3.1350372D-01 -1.0475716D-01 12 7.7283031D-04 4.6005106D-01 3.3208854D-01 -1.0584894D-01 13 -1.3440867D-04 1.2518106D-01 -2.2824974D-01 9.7365334D-02 14 -3.6110714D-05 5.0937678D-03 -6.3416343D-01 2.9683969D-01 15 -4.6434640D-05 1.4409828D-03 -3.3556335D-01 1.3956150D-01 16 1.0925327D-05 -3.6059829D-04 -3.1412077D-02 -3.9014699D-01 17 -4.9922916D-06 1.3578711D-04 1.3842679D-03 -5.7041346D-01 18 1.4989970D-06 -4.1237588D-05 -5.1944475D-04 -2.3669856D-01 *** Small Component *** 19 6.9146545D-05 -3.2839470D-05 -1.4551089D-05 4.4233562D-06 20 3.2542086D-04 -1.5466307D-04 -6.8718961D-05 2.1020619D-05 21 1.1247648D-03 -5.3614126D-04 -2.3777168D-04 7.2313066D-05 22 3.2096800D-03 -1.5391083D-03 -6.8502193D-04 2.0956302D-04 23 7.7864215D-03 -3.7855595D-03 -1.6856182D-03 5.1303214D-04 24 1.5926569D-02 -7.9549638D-03 -3.5707426D-03 1.0942598D-03 25 2.6101317D-02 -1.3629854D-02 -6.1568481D-03 1.8771718D-03 26 3.1281958D-02 -1.7339293D-02 -7.9770376D-03 2.4609826D-03 27 2.2991637D-02 -1.2347019D-02 -5.5546424D-03 1.6751146D-03 28 7.9362376D-03 3.5020242D-03 2.6925590D-03 -8.5252693D-04 29 8.3493564D-04 1.6160039D-02 1.0825670D-02 -3.6170570D-03 30 1.9252885D-05 1.1512548D-02 8.3068411D-03 -2.6477383D-03 31 -2.3363884D-06 2.2354594D-03 -4.0707835D-03 1.7363063D-03 32 -4.9343011D-07 6.4587462D-05 -8.0249865D-03 3.7559421D-03 33 -3.9621180D-07 1.2761341D-05 -2.9798845D-03 1.2392791D-03 34 5.5595448D-08 -2.0360826D-06 -1.7866505D-04 -2.2187774D-03 35 -1.5490077D-08 4.9408601D-07 5.1057336D-06 -2.1041862D-03 36 2.5712551D-09 -9.3611870D-08 -1.2059621D-06 -5.4967961D-04 3D- 4D- -2.6022916D+01 -2.7109107D+00 ------------ ------------ *** Large Component *** 1 2.5223540D-04 -1.0690246D-04 2 2.0502003D-03 -8.6661005D-04 3 1.1811252D-02 -5.0470494D-03 4 4.8382643D-02 -2.0757917D-02 5 1.4239769D-01 -6.2499666D-02 6 2.8898096D-01 -1.2574447D-01 7 3.8210957D-01 -1.5819857D-01 8 2.7299681D-01 -3.1483727D-02 9 7.7892531D-02 2.8625153D-01 10 4.8901473D-03 4.7867445D-01 11 2.6574844D-04 3.2253183D-01 12 -1.1040238D-04 7.1401831D-02 *** Small Component *** 13 9.1834513D-05 -3.9001668D-05 14 5.4750485D-04 -2.3133325D-04 15 2.1113227D-03 -9.0236401D-04 16 5.8526591D-03 -2.5108843D-03 17 1.1885088D-02 -5.2170188D-03 18 1.6957040D-02 -7.3803959D-03 19 1.5908467D-02 -6.5890996D-03 20 8.1198175D-03 -9.3843193D-04 21 1.6367611D-03 6.0412540D-03 22 6.8219481D-05 7.0543436D-03 23 1.2459481D-06 3.2588136D-03 24 -1.5773799D-06 4.6606159D-04 3D+ 4D+ -2.5536659D+01 -2.6333415D+00 ------------ ------------ *** Large Component *** 1 2.9134005D-04 -1.2330328D-04 2 2.7348342D-03 -1.1556423D-03 3 1.5474049D-02 -6.6041938D-03 4 5.9745520D-02 -2.5679538D-02 5 1.6394144D-01 -7.1980264D-02 6 3.0762958D-01 -1.3313480D-01 7 3.7505433D-01 -1.5116658D-01 8 2.4029274D-01 4.0120344D-03 9 6.0816065D-02 3.1421192D-01 10 3.3439909D-03 4.7043093D-01 11 1.7481292D-04 2.9596634D-01 12 -8.2004063D-05 6.1496612D-02 *** Small Component *** 13 1.3340816D-04 -5.6429712D-05 14 7.2072321D-04 -3.0429351D-04 15 2.5899760D-03 -1.1046598D-03 16 6.7024027D-03 -2.8789924D-03 17 1.2738872D-02 -5.5902713D-03 18 1.6895157D-02 -7.3087865D-03 19 1.4707595D-02 -5.9265526D-03 20 6.7736323D-03 1.1053658D-04 21 1.2215227D-03 6.3067841D-03 22 4.7189279D-05 6.6247937D-03 23 1.6665438D-06 2.8689990D-03 24 -5.0712043D-07 3.8622318D-04 * Radial Moments Sym Orb S+ 1 7.38962D+03 5.81099D+01 2.66508D-02 9.63449D-04 4.40384D-05 2.43664D-06 2 8.75450D+02 1.36107D+01 1.14028D-01 1.53996D-02 2.36885D-03 4.10517D-04 3 1.78482D+02 4.88356D+00 3.04614D-01 1.06169D-01 4.08018D-02 1.71483D-02 4 3.78841D+01 1.94983D+00 7.17192D-01 5.79950D-01 5.12628D-01 4.92028D-01 5 5.01854D+00 6.81191D-01 1.90424D+00 4.10632D+00 9.83848D+00 2.60595D+01 P- 1 2.79484D+02 1.35538D+01 9.63070D-02 1.14176D-02 1.60979D-03 2.63652D-04 2 5.70176D+01 4.78404D+00 2.95233D-01 1.01272D-01 3.87229D-02 1.63533D-02 3 1.17170D+01 1.84053D+00 7.47310D-01 6.34944D-01 5.94339D-01 6.09236D-01 4 1.30509D+00 5.75924D-01 2.23947D+00 5.75573D+00 1.66901D+01 5.42597D+01 P+ 1 2.11666D+02 1.24657D+01 1.02049D-01 1.26911D-02 1.86756D-03 3.18292D-04 2 4.37324D+01 4.51862D+00 3.06562D-01 1.08999D-01 4.31673D-02 1.88673D-02 3 9.10431D+00 1.76005D+00 7.73111D-01 6.79418D-01 6.57888D-01 6.97587D-01 4 9.97597D-01 5.46073D-01 2.35122D+00 6.36058D+00 1.94919D+01 6.73285D+01 D- 1 2.38935D+01 4.36196D+00 2.77848D-01 9.12397D-02 3.47445D-02 1.51173D-02 2 4.21222D+00 1.51663D+00 8.69862D-01 8.81211D-01 1.01146D+00 1.30865D+00 D+ 1 2.29959D+01 4.29349D+00 2.81451D-01 9.34788D-02 3.59722D-02 1.58077D-02 2 4.04793D+00 1.49479D+00 8.80584D-01 9.02973D-01 1.04934D+00 1.37507D+00 ******************************************************************************