****************************************************************************** Rubidium [Kr]5s(1) Nuclear Charge = 37.0000000000 Atomic Mass = 85.0000000000 Nuclear Radius = 1.035804d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ Number of Closed Shells 4 3 3 1 1 Open Shells 1 0 0 0 0 Conf Weight Open Shell Occupation Numbers 1 1.00000000 1.0 0.0 0.0 0.0 0.0 * Energies Total Energy = -2.97980342015509d+03 Mass Energy = -2.97974970455785d+03 Kinetic Energy = 6.04547005173500d+03 Potential Energy = -6.04552376733224d+03 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.5653942097d+07 1.0000000000d+00 1.0000000000d+00 2 5.5330637774d+06 1.0000000000d+00 1.0000000000d+00 3 1.1945222297d+06 1.0000000000d+00 1.0000000000d+00 4 3.1109855264d+05 1.0000000000d+00 1.0000000000d+00 5 9.3200310809d+04 1.0000000000d+00 1.0000000000d+00 6 3.1091356988d+04 1.0000000000d+00 1.0000000000d+00 7 1.1301435955d+04 1.0000000000d+00 1.0000000000d+00 8 4.4075539253d+03 1.0000000000d+00 1.0000000000d+00 9 1.8230146410d+03 1.0000000000d+00 1.0000000000d+00 10 7.9178816809d+02 1.0000000000d+00 1.0000000000d+00 11 3.5796776347d+02 1.0000000000d+00 1.0000000000d+00 12 1.6662074250d+02 1.0000000000d+00 1.0000000000d+00 13 7.7752192028d+01 1.0000000000d+00 1.0000000000d+00 14 3.7385862478d+01 1.0000000000d+00 1.0000000000d+00 15 1.8187024325d+01 1.0000000000d+00 1.0000000000d+00 16 8.3235073878d+00 1.0000000000d+00 1.0000000000d+00 17 4.1270741039d+00 1.0000000000d+00 1.0000000000d+00 18 2.0001548778d+00 1.0000000000d+00 1.0000000000d+00 19 6.1124630974d-01 1.0000000000d+00 1.0000000000d+00 20 2.4780985727d-01 1.0000000000d+00 1.0000000000d+00 21 3.1830109765d-02 1.0000000000d+00 1.0000000000d+00 22 1.4207291132d-02 1.0000000000d+00 1.0000000000d+00 P- 1 1.9037180798d+05 1.0000000000d+00 1.0000000000d+00 2 2.8271038998d+04 1.0000000000d+00 1.0000000000d+00 3 6.4707019229d+03 1.0000000000d+00 1.0000000000d+00 4 1.9216904855d+03 1.0000000000d+00 1.0000000000d+00 5 6.8012532805d+02 1.0000000000d+00 1.0000000000d+00 6 2.7089955042d+02 1.0000000000d+00 1.0000000000d+00 7 1.1708865402d+02 1.0000000000d+00 1.0000000000d+00 8 5.3327469428d+01 1.0000000000d+00 1.0000000000d+00 9 2.5124995354d+01 1.0000000000d+00 1.0000000000d+00 10 1.1727900650d+01 1.0000000000d+00 1.0000000000d+00 11 5.4489497241d+00 1.0000000000d+00 1.0000000000d+00 12 2.5014800631d+00 1.0000000000d+00 1.0000000000d+00 13 9.6613573358d-01 1.0000000000d+00 1.0000000000d+00 14 4.0350940072d-01 1.0000000000d+00 1.0000000000d+00 15 1.5757469390d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 2.8398816041d+04 1.0000000000d+00 1.0000000000d+00 2 6.4239608894d+03 1.0000000000d+00 1.0000000000d+00 3 2.0244671300d+03 1.0000000000d+00 1.0000000000d+00 4 7.5712852532d+02 1.0000000000d+00 1.0000000000d+00 5 3.1536212708d+02 1.0000000000d+00 1.0000000000d+00 6 1.4157782748d+02 1.0000000000d+00 1.0000000000d+00 7 6.6856882770d+01 1.0000000000d+00 1.0000000000d+00 8 3.2725076001d+01 1.0000000000d+00 1.0000000000d+00 9 1.6301189360d+01 1.0000000000d+00 1.0000000000d+00 10 7.9310829452d+00 1.0000000000d+00 1.0000000000d+00 11 3.8422011503d+00 1.0000000000d+00 1.0000000000d+00 12 1.8551285926d+00 1.0000000000d+00 1.0000000000d+00 13 7.9033125342d-01 1.0000000000d+00 1.0000000000d+00 14 3.3480086743d-01 1.0000000000d+00 1.0000000000d+00 15 1.3446519567d-01 1.0000000000d+00 1.0000000000d+00 D- 1 8.9320185262d+02 1.0000000000d+00 1.0000000000d+00 2 2.5282600078d+02 1.0000000000d+00 1.0000000000d+00 3 9.4969322760d+01 1.0000000000d+00 1.0000000000d+00 4 4.0531201343d+01 1.0000000000d+00 1.0000000000d+00 5 1.8601099167d+01 1.0000000000d+00 1.0000000000d+00 6 8.8253894635d+00 1.0000000000d+00 1.0000000000d+00 7 4.1896025669d+00 1.0000000000d+00 1.0000000000d+00 8 1.9473530615d+00 1.0000000000d+00 1.0000000000d+00 9 8.1970237774d-01 1.0000000000d+00 1.0000000000d+00 D+ 1 7.6090468765d+02 1.0000000000d+00 1.0000000000d+00 2 2.2736066715d+02 1.0000000000d+00 1.0000000000d+00 3 8.7734085190d+01 1.0000000000d+00 1.0000000000d+00 4 3.8054882591d+01 1.0000000000d+00 1.0000000000d+00 5 1.7662522289d+01 1.0000000000d+00 1.0000000000d+00 6 8.4378920271d+00 1.0000000000d+00 1.0000000000d+00 7 4.0281380289d+00 1.0000000000d+00 1.0000000000d+00 8 1.8807652709d+00 1.0000000000d+00 1.0000000000d+00 9 7.9440487636d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -5.6213224d+02 -7.7501141d+01 -1.2559611d+01 -1.5659632d+00 -1.3994587d-01 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 1.8439338d-05 -6.0122783d-06 -2.4434201d-06 -8.2659197d-07 1.7582117d-07 2 6.7427358d-05 -2.2041430d-05 -8.9597061d-06 -3.0287476d-06 6.4363377d-07 3 2.2149247d-04 -7.2623511d-05 -2.9538259d-05 -9.9988284d-06 2.1281016d-06 4 6.9664257d-04 -2.2936658d-04 -9.3313519d-05 -3.1525724d-05 6.6938997d-06 5 2.1438684d-03 -7.0855884d-04 -2.8853213d-04 -9.7778288d-05 2.0834078d-05 6 6.4023801d-03 -2.1291699d-03 -8.6720659d-04 -2.9271295d-04 6.2070682d-05 7 1.8254966d-02 -6.1273896d-03 -2.5007177d-03 -8.4882876d-04 1.8114424d-04 8 4.8519586d-02 -1.6656155d-02 -6.8112341d-03 -2.2970924d-03 4.8626627d-04 9 1.1588548d-01 -4.1653238d-02 -1.7161644d-02 -5.8450622d-03 1.2503294d-03 10 2.3245835d-01 -9.2575545d-02 -3.8613687d-02 -1.3029074d-02 2.7501091d-03 11 3.4359768d-01 -1.6748626d-01 -7.2110375d-02 -2.4854069d-02 5.3503359d-03 12 2.8978703d-01 -1.9663183d-01 -8.8882550d-02 -2.9974933d-02 6.2316118d-03 13 8.6104207d-02 1.8894832d-02 1.0738675d-02 2.2222179d-03 -8.8792309d-05 14 1.1876668d-03 4.9271150d-01 3.2948432d-01 1.2495103d-01 -2.7721748d-02 15 1.7071180d-03 5.2274293d-01 5.0516504d-01 1.8923333d-01 -3.8975141d-02 16 -9.1450136d-04 1.1499893d-01 -1.0110193d-01 -3.0502781d-02 2.3836139d-03 17 4.5518396d-04 -2.8367333d-03 -7.4819862d-01 -4.6800106d-01 1.1460233d-01 18 -1.9340343d-04 2.7355450d-03 -4.1376506d-01 -3.7097177d-01 7.8318166d-02 19 5.5715790d-05 -6.1600330d-04 -2.0460661d-02 7.2876871d-01 -1.9089081d-01 20 -2.0523369d-05 1.8493925d-04 2.8841536d-03 5.5722804d-01 -3.2267616d-01 21 5.4109850d-06 -5.2190935d-05 -7.3506004d-04 1.4431720d-02 7.7249363d-01 22 -2.9560461d-06 2.8524303d-05 3.9865245d-04 -5.6442178d-03 3.5511712d-01 *** Small Component *** 23 5.4075675d-05 -1.7599589d-05 -7.1516687d-06 -2.4211842d-06 5.1547645d-07 24 2.0219640d-04 -6.5835570d-05 -2.6744870d-05 -9.0329655d-06 1.9177805d-06 25 5.4253848d-04 -1.7661873d-04 -7.1777516d-05 -2.4312956d-05 5.1794526d-06 26 1.2947975d-03 -4.2196616d-04 -1.7142239d-04 -5.7859941d-05 1.2274647d-05 27 2.8172546d-03 -9.1891349d-04 -3.7358169d-04 -1.2664172d-04 2.7002419d-05 28 5.7107516d-03 -1.8710407d-03 -7.6054853d-04 -2.5651085d-04 5.4361666d-05 29 1.0835719d-02 -3.5795258d-03 -1.4579464d-03 -4.9488566d-04 1.0565034d-04 30 1.9093557d-02 -6.4509027d-03 -2.6325120d-03 -8.8730210d-04 1.8776803d-04 31 3.0391477d-02 -1.0756557d-02 -4.4233129d-03 -1.5063176d-03 3.2227311d-04 32 4.1019098d-02 -1.6101817d-02 -6.7042170d-03 -2.2612535d-03 4.7721372d-04 33 4.1251204d-02 -1.9842786d-02 -8.5303297d-03 -2.9395959d-03 6.3283698d-04 34 2.3885030d-02 -1.6028262d-02 -7.2385773d-03 -2.4408662d-03 5.0744502d-04 35 4.8612866d-03 9.9713667d-04 5.6241714d-04 1.1096427d-04 -2.2262098d-06 36 4.6429277d-05 1.9029408d-02 1.2701229d-02 4.8155863d-03 -1.0684177d-03 37 4.6517920d-05 1.4108648d-02 1.3614865d-02 5.0996085d-03 -1.0503458d-03 38 -1.6846824d-05 2.1003493d-03 -1.8384564d-03 -5.5346508d-04 4.2886028d-05 39 5.8952985d-06 -3.6412387d-05 -9.6068443d-03 -6.0074333d-03 1.4710344d-03 40 -1.7377161d-06 2.4443888d-05 -3.6990928d-03 -3.3158999d-03 7.0006190d-04 41 2.7466147d-07 -3.0354326d-06 -1.0113823d-04 3.6006947d-03 -9.4312356d-04 42 -6.3683988d-08 5.7752177d-07 9.0825671d-06 1.7530956d-03 -1.0151388d-03 43 5.7573778d-09 -5.7668992d-08 -8.3037823d-07 1.6268078d-05 8.7098269d-04 44 -2.0145223d-09 2.0798952d-08 3.0114183d-07 -4.2494331d-06 2.6750060d-04 2P- 3P- 4P- -7.0016000d+01 -9.8179415d+00 -8.3203304d-01 ------------ ------------ ------------ *** Large Component *** 1 1.2620736d-04 -5.2142253d-05 1.5589327d-05 2 4.6066514d-04 -1.9057275d-04 5.7048543d-05 3 1.7696309d-03 -7.3339242d-04 2.1902685d-04 4 7.2785642d-03 -3.0372194d-03 9.1179040d-04 5 2.8227163d-02 -1.1902379d-02 3.5590597d-03 6 9.2059893d-02 -3.9954261d-02 1.2073281d-02 7 2.2853711d-01 -1.0352690d-01 3.1228755d-02 8 3.8152712d-01 -1.8468307d-01 5.6996459d-02 9 3.3999449d-01 -1.4442098d-01 4.1745609d-02 10 1.0674222d-01 1.9720936d-01 -7.5414031d-02 11 4.7882979d-03 5.3738045d-01 -2.2165327d-01 12 1.6381169d-03 3.7638474d-01 -1.5307693d-01 13 -4.4589391d-04 4.7134375d-02 3.2970476d-01 14 2.1504706d-04 -4.0415295d-03 5.9438156d-01 15 -6.4973904d-05 1.1678811d-03 2.5297238d-01 *** Small Component *** 16 3.2170215d-05 -1.3300164d-05 3.9672060d-06 17 1.6138300d-04 -6.6918612d-05 2.0084066d-05 18 6.3499108d-04 -2.6335415d-04 7.8550972d-05 19 2.0486997d-03 -8.5547921d-04 2.5700414d-04 20 5.4620838d-03 -2.3034328d-03 6.8860003d-04 21 1.1887005d-02 -5.1600192d-03 1.5594676d-03 22 1.9833030d-02 -8.9878458d-03 2.7111363d-03 23 2.2542547d-02 -1.0921145d-02 3.3709511d-03 24 1.3812357d-02 -5.8800516d-03 1.7002247d-03 25 2.9246974d-03 5.5142388d-03 -2.1070917d-03 26 5.7026093d-05 1.0237394d-02 -4.2214926d-03 27 -9.3108965d-08 4.8593879d-03 -1.9762965d-03 28 -1.6627298d-05 3.7911972d-04 2.6430154d-03 29 -2.6540081d-06 -2.0656818d-05 3.0802036d-03 30 -5.4687458d-06 4.2030198d-06 8.1893278d-04 2P+ 3P+ 4P+ -6.7763879d+01 -9.4645735d+00 -7.9600785d-01 ------------ ------------ ------------ *** Large Component *** 1 9.4786402d-05 -3.9336165d-05 1.1681165d-05 2 7.8613475d-04 -3.2720833d-04 9.7737113d-05 3 4.4116489d-03 -1.8418752d-03 5.4729116d-04 4 1.8962977d-02 -8.0064978d-03 2.3966437d-03 5 6.4579420d-02 -2.7837748d-02 8.3065438d-03 6 1.6949945d-01 -7.6092782d-02 2.2995169d-02 7 3.1878658d-01 -1.5081725d-01 4.5530720d-02 8 3.7051743d-01 -1.8262355d-01 5.6445624d-02 9 2.0177880d-01 1.6550373d-03 -8.9014495d-03 10 3.5048973d-02 3.7159312d-01 -1.3830775d-01 11 1.3494840d-03 5.0587110d-01 -2.2630176d-01 12 4.5235695d-04 2.1805171d-01 -4.3206358d-02 13 -7.2373903d-05 1.8164836d-02 4.1292378d-01 14 2.4039504d-05 -2.0668885d-04 5.5125686d-01 15 -7.1591924d-06 1.2091882d-04 1.9182762d-01 *** Small Component *** 16 1.0232167d-04 -4.2375366d-05 1.2573133d-05 17 4.6107401d-04 -1.9151454d-04 5.7203556d-05 18 1.5332688d-03 -6.3878624d-04 1.8972636d-04 19 4.1422448d-03 -1.7455129d-03 5.2239145d-04 20 9.2357920d-03 -3.9739093d-03 1.1854374d-03 21 1.6365899d-02 -7.3354627d-03 2.2163426d-03 22 2.1232445d-02 -1.0031525d-02 3.0278871d-03 23 1.7300464d-02 -8.5187710d-03 2.6327737d-03 24 6.6556523d-03 4.8832023d-05 -2.9092533d-04 25 8.0647836d-04 8.5354001d-03 -3.1763051d-03 26 2.1624946d-05 8.0906420d-03 -3.6187297d-03 27 5.0173169d-06 2.4235997d-03 -4.8032733d-04 28 -5.1966717d-07 1.3176837d-04 2.9949098d-03 29 1.1098967d-07 -9.7140193d-07 2.6023809d-03 30 -2.0624847d-08 3.6037132d-07 5.7390946d-04 3D- -4.6755357d+00 ------------ *** Large Component *** 1 5.0047786d-04 2 4.4941063d-03 3 2.3901308d-02 4 8.4001869d-02 5 2.0503382d-01 6 3.3277636d-01 7 3.6073008d-01 8 2.2117471d-01 9 4.9336443d-02 *** Small Component *** 10 1.2268182d-04 11 6.5919126d-04 12 2.2097760d-03 13 5.1273546d-03 14 8.5100265d-03 15 9.5300777d-03 16 7.1219555d-03 17 2.9777171d-03 18 4.2998178d-04 3D+ -4.6155098d+00 ------------ *** Large Component *** 1 5.4762349d-04 2 4.9968317d-03 3 2.5890648d-02 4 8.8608952d-02 5 2.1040179d-01 6 3.3403159d-01 7 3.5610254d-01 8 2.1406126d-01 9 4.6712365d-02 *** Small Component *** 10 1.4107322d-04 11 7.1786331d-04 12 2.3275328d-03 13 5.2637860d-03 14 8.5285020d-03 15 9.3640596d-03 16 6.8991125d-03 17 2.8341574d-03 18 4.0195368d-04 * Radial Moments Sym Orb S+ 1 2.99496d+03 3.78807d+01 4.02780d-02 2.18603d-03 1.49505d-04 1.23723d-05 2 3.17518d+02 8.53080d+00 1.77060d-01 3.70335d-02 8.83538d-03 2.38231d-03 3 5.37637d+01 2.83438d+00 5.07239d-01 2.95246d-01 1.91126d-01 1.36876d-01 4 6.47664d+00 8.97284d-01 1.47279d+00 2.46980d+00 4.62336d+00 9.64067d+00 5 3.27854d-01 2.22097d-01 5.54480d+00 3.51162d+01 2.50088d+02 1.98520d+03 P- 1 1.02434d+02 8.46600d+00 1.52311d-01 2.84775d-02 6.33469d-03 1.64041d-03 2 1.69974d+01 2.71562d+00 5.09466d-01 3.02964d-01 2.03198d-01 1.52501d-01 3 1.77981d+00 7.69636d-01 1.70304d+00 3.35147d+00 7.47873d+00 1.88032d+01 P+ 1 9.08341d+01 8.15865d+00 1.56341d-01 2.98780d-02 6.77949d-03 1.78867d-03 2 1.51565d+01 2.64487d+00 5.19246d-01 3.14518d-01 2.14824d-01 1.64138d-01 3 1.59480d+00 7.51667d-01 1.73899d+00 3.49669d+00 7.98236d+00 2.05707d+01 D- 1 7.45891d+00 2.40188d+00 5.20773d-01 3.30798d-01 2.51139d-01 2.24054d-01 D+ 1 7.32441d+00 2.38298d+00 5.24434d-01 3.35338d-01 2.56234d-01 2.30068d-01 ****************************************************************************** Strontium [Kr]5s(2) Nuclear Charge = 38.0000000000 Atomic Mass = 88.0000000000 Nuclear Radius = 1.046232d-04 Speed of Light = 137.0359895000 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 1 1 Open Shells 0 0 0 0 0 * Energies Total Energy = -3.17807839901001d+03 Mass Energy = -3.17801583228088d+03 Kinetic Energy = 6.45274743155271d+03 Potential Energy = -6.45280999828185d+03 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 3.6945218513d+07 1.0000000000d+00 1.0000000000d+00 2 5.8750313076d+06 1.0000000000d+00 1.0000000000d+00 3 1.2991362723d+06 1.0000000000d+00 1.0000000000d+00 4 3.4309619396d+05 1.0000000000d+00 1.0000000000d+00 5 1.0359869105d+05 1.0000000000d+00 1.0000000000d+00 6 3.4715118090d+04 1.0000000000d+00 1.0000000000d+00 7 1.2644476269d+04 1.0000000000d+00 1.0000000000d+00 8 4.9425287142d+03 1.0000000000d+00 1.0000000000d+00 9 2.0495909409d+03 1.0000000000d+00 1.0000000000d+00 10 8.9302977158d+02 1.0000000000d+00 1.0000000000d+00 11 4.0552627723d+02 1.0000000000d+00 1.0000000000d+00 12 1.9018183140d+02 1.0000000000d+00 1.0000000000d+00 13 9.0758300838d+01 1.0000000000d+00 1.0000000000d+00 14 4.2920820225d+01 1.0000000000d+00 1.0000000000d+00 15 2.0985492913d+01 1.0000000000d+00 1.0000000000d+00 16 9.9999392444d+00 1.0000000000d+00 1.0000000000d+00 17 4.8243652270d+00 1.0000000000d+00 1.0000000000d+00 18 2.3154582098d+00 1.0000000000d+00 1.0000000000d+00 19 7.3112539456d-01 1.0000000000d+00 1.0000000000d+00 20 3.1596670908d-01 1.0000000000d+00 1.0000000000d+00 21 5.5409033673d-02 1.0000000000d+00 1.0000000000d+00 22 2.2947185689d-02 1.0000000000d+00 1.0000000000d+00 P- 1 2.1777767583d+05 1.0000000000d+00 1.0000000000d+00 2 3.2239528253d+04 1.0000000000d+00 1.0000000000d+00 3 7.3273735233d+03 1.0000000000d+00 1.0000000000d+00 4 2.1578131988d+03 1.0000000000d+00 1.0000000000d+00 5 7.5834826914d+02 1.0000000000d+00 1.0000000000d+00 6 3.0064712195d+02 1.0000000000d+00 1.0000000000d+00 7 1.2959967925d+02 1.0000000000d+00 1.0000000000d+00 8 5.8975142217d+01 1.0000000000d+00 1.0000000000d+00 9 2.7810698317d+01 1.0000000000d+00 1.0000000000d+00 10 1.3070857215d+01 1.0000000000d+00 1.0000000000d+00 11 6.1027634843d+00 1.0000000000d+00 1.0000000000d+00 12 2.8242023440d+00 1.0000000000d+00 1.0000000000d+00 13 1.1229410370d+00 1.0000000000d+00 1.0000000000d+00 14 4.8285874776d-01 1.0000000000d+00 1.0000000000d+00 15 1.9284913468d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 3.0969533099d+04 1.0000000000d+00 1.0000000000d+00 2 6.9855619406d+03 1.0000000000d+00 1.0000000000d+00 3 2.2001189921d+03 1.0000000000d+00 1.0000000000d+00 4 8.2258592965d+02 1.0000000000d+00 1.0000000000d+00 5 3.4261607908d+02 1.0000000000d+00 1.0000000000d+00 6 1.5390239058d+02 1.0000000000d+00 1.0000000000d+00 7 7.2783942800d+01 1.0000000000d+00 1.0000000000d+00 8 3.5700695520d+01 1.0000000000d+00 1.0000000000d+00 9 1.7838121884d+01 1.0000000000d+00 1.0000000000d+00 10 8.7186042081d+00 1.0000000000d+00 1.0000000000d+00 11 4.2551217197d+00 1.0000000000d+00 1.0000000000d+00 12 2.0735086531d+00 1.0000000000d+00 1.0000000000d+00 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1.0000000000d+00 8 2.1567704847d+00 1.0000000000d+00 1.0000000000d+00 9 9.2937614894d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -5.9562357d+02 -8.3144664d+01 -1.3959285d+01 -1.9486725d+00 -1.8117744d-01 ------------ ------------ ------------ ------------ ------------ *** Large Component *** 1 1.9525847d-05 -6.3936587d-06 -2.6215233d-06 -9.3265432d-07 2.4171444d-07 2 6.9535345d-05 -2.2829074d-05 -9.3636540d-06 -3.3292121d-06 8.6252499d-07 3 2.2208544d-04 -7.3129212d-05 -3.0006409d-05 -1.0681191d-05 2.7688880d-06 4 6.8444885d-04 -2.2637079d-04 -9.2939243d-05 -3.3029640d-05 8.5547295d-06 5 2.0684395d-03 -6.8667125d-04 -2.8205511d-04 -1.0049856d-04 2.6063618d-05 6 6.1017099d-03 -2.0388557d-03 -8.3821538d-04 -2.9767661d-04 7.7062491d-05 7 1.7251758d-02 -5.8142780d-03 -2.3930516d-03 -8.5388943d-04 2.2158717d-04 8 4.5567208d-02 -1.5697174d-02 -6.4799252d-03 -2.2997743d-03 5.9500786d-04 9 1.0879337d-01 -3.9103779d-02 -1.6235459d-02 -5.8111918d-03 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Small Component *** 23 5.5582835d-05 -1.8165692d-05 -7.4463718d-06 -2.6509048d-06 6.8727551d-07 24 2.0538032d-04 -6.7163729d-05 -2.7533961d-05 -9.7819679d-06 2.5333421d-06 25 5.4265158d-04 -1.7738718d-04 -7.2715286d-05 -2.5898444d-05 6.7160413d-06 26 1.2880994d-03 -4.2162735d-04 -1.7286944d-04 -6.1382114d-05 1.5892170d-05 27 2.7905835d-03 -9.1387989d-04 -3.7471198d-04 -1.3354647d-04 3.4642947d-05 28 5.6499027d-03 -1.8589272d-03 -7.6270358d-04 -2.7065313d-04 7.0047829d-05 29 1.0712050d-02 -3.5503927d-03 -1.4580987d-03 -5.2025867d-04 1.3502526d-04 30 1.8864148d-02 -6.3902961d-03 -2.6322655d-03 -9.3365872d-04 2.4151952d-04 31 3.0142726d-02 -1.0658791d-02 -4.4162175d-03 -1.5804179d-03 4.1056990d-04 32 4.1149809d-02 -1.6050544d-02 -6.7409644d-03 -2.3933529d-03 6.1864036d-04 33 4.2657374d-02 -2.0079673d-02 -8.6675880d-03 -3.1359561d-03 8.1709894d-04 34 2.6461933d-02 -1.7275209d-02 -7.8521411d-03 -2.7944497d-03 7.1941313d-04 35 6.4083258d-03 -1.3140234d-03 -5.6309141d-04 -2.8356439d-04 8.4214554d-05 36 2.2552758d-04 1.8453103d-02 1.1965693d-02 4.7416969d-03 -1.2587386d-03 37 2.9593870d-05 1.5997911d-02 1.5189205d-02 6.0267896d-03 -1.5637850d-03 38 -1.0937170d-05 3.0177825d-03 1.0990187d-04 2.5893765d-04 -1.0875331d-04 39 3.2026037d-06 3.7037299d-05 -1.0298343d-02 -6.4724699d-03 1.8560222d-03 40 -1.1066056d-06 2.0353869d-05 -4.6433522d-03 -4.4320228d-03 1.2783216d-03 41 2.0594654d-07 -2.7781387d-06 -1.5258475d-04 3.7961077d-03 -1.3622802d-03 42 -5.2258113d-08 5.4727929d-07 1.5834387d-05 2.1516622d-03 -1.4074104d-03 43 5.6999627d-09 -6.7439890d-08 -1.6132809d-06 2.8001577d-05 1.0325703d-03 44 -1.6055934d-09 1.9470244d-08 4.7668133d-07 -5.8074636d-06 4.6434241d-04 2P- 3P- 4P- -7.5375662d+01 -1.1077798d+01 -1.1262292d+00 ------------ ------------ ------------ *** Large Component *** 1 1.2677758d-04 -5.2985758d-05 1.7014532d-05 2 4.5593226d-04 -1.9077138d-04 6.1324202d-05 3 1.7086332d-03 -7.1639535d-04 2.2985194d-04 4 6.9054453d-03 -2.9134636d-03 9.3905011d-04 5 2.6680084d-02 -1.1377531d-02 3.6554724d-03 6 8.7517118d-02 -3.8354377d-02 1.2443077d-02 7 2.2022541d-01 -1.0077054d-01 3.2674763d-02 8 3.7595466d-01 -1.8349641d-01 6.0792410d-02 9 3.4819480d-01 -1.5454257d-01 4.8601842d-02 10 1.1718480d-01 1.7556609d-01 -7.3737111d-02 11 6.4663182d-03 5.3345408d-01 -2.3766895d-01 12 1.6164110d-03 3.9319603d-01 -1.7703095d-01 13 -4.5126567d-04 5.3659095d-02 3.3483612d-01 14 2.1934448d-04 -4.2134615d-03 6.1526428d-01 15 -6.4738961d-05 1.1412898d-03 2.2942250d-01 *** Small Component *** 16 3.2106021d-05 -1.3431679d-05 4.3046074d-06 17 1.5854984d-04 -6.6486018d-05 2.1422783d-05 18 6.2106544d-04 -2.6066184d-04 8.3536673d-05 19 2.0115719d-03 -8.4930871d-04 2.7393747d-04 20 5.3977454d-03 -2.3022424d-03 7.3950881d-04 21 1.1855687d-02 -5.1967771d-03 1.6862004d-03 22 2.0071120d-02 -9.1878882d-03 2.9791428d-03 23 2.3341600d-02 -1.1402313d-02 3.7781589d-03 24 1.4877765d-02 -6.6183111d-03 2.0821267d-03 25 3.3924030d-03 5.1833713d-03 -2.1749463d-03 26 9.1407853d-05 1.0755132d-02 -4.7902730d-03 27 -1.4168048d-06 5.3940253d-03 -2.4284680d-03 28 -1.8912512d-05 4.6522202d-04 2.8935963d-03 29 -2.8669283d-06 -2.3579407d-05 3.4878537d-03 30 -6.6683049d-06 4.5957360d-06 8.2150412d-04 2P+ 3P+ 4P+ -7.2842200d+01 -1.0672742d+01 -1.0797434d+00 ------------ ------------ ------------ *** Large Component *** 1 9.1873948d-05 -3.8591198d-05 1.2332324d-05 2 7.5843236d-04 -3.1952349d-04 1.0265313d-04 3 4.2450590d-03 -1.7937700d-03 5.7358756d-04 4 1.8260884d-02 -7.8022504d-03 2.5121063d-03 5 6.2373000d-02 -2.7196928d-02 8.7346173d-03 6 1.6468867d-01 -7.4761373d-02 2.4305723d-02 7 3.1310020d-01 -1.4974082d-01 4.8691354d-02 8 3.7140272d-01 -1.8571788d-01 6.1772930d-02 9 2.1006027d-01 -9.9215009d-03 -5.4487462d-03 10 3.8868589d-02 3.6139226d-01 -1.4657486d-01 11 1.3937955d-03 5.1058029d-01 -2.4769724d-01 12 5.2779216d-04 2.2659147d-01 -5.2361555d-02 13 -1.0935954d-04 2.0107926d-02 4.3569456d-01 14 3.8091141d-05 -2.1800361d-04 5.5934615d-01 15 -1.0068433d-05 5.6910561d-05 1.6220682d-01 *** Small Component *** 16 1.0197659d-04 -4.2741424d-05 1.3647064d-05 17 4.6035069d-04 -1.9351980d-04 6.2167613d-05 18 1.5318573d-03 -6.4583138d-04 2.0642064d-04 19 4.1487906d-03 -1.7689423d-03 5.6941630d-04 20 9.2873875d-03 -4.0417112d-03 1.2976308d-03 21 1.6570441d-02 -7.5094860d-03 2.4408809d-03 22 2.1754045d-02 -1.0388904d-02 3.3774683d-03 23 1.8112565d-02 -9.0473823d-03 3.0090136d-03 24 7.2485920d-03 -3.4819368d-04 -1.8500692d-04 25 9.3781480d-04 8.7029708d-03 -3.5290505d-03 26 2.3513299d-05 8.5935757d-03 -4.1681933d-03 27 6.1879636d-06 2.6626917d-03 -6.1542588d-04 28 -8.4224641d-07 1.5623216d-04 3.3846109d-03 29 1.9213004d-07 -1.1140480d-06 2.8728297d-03 30 -3.1863385d-08 1.8451678d-07 5.3099596d-04 3D- -5.6283261d+00 ------------ *** Large Component *** 1 4.6844032d-04 2 4.2009996d-03 3 2.2595381d-02 4 8.0488449d-02 5 1.9976381d-01 6 3.3031458d-01 7 3.6333530d-01 8 2.2443822d-01 9 5.0087735d-02 *** Small Component *** 10 1.1953356d-04 11 6.4789835d-04 12 2.2018220d-03 13 5.1864021d-03 14 8.7656350d-03 15 1.0024613d-02 16 7.6296842d-03 17 3.2310687d-03 18 4.7129831d-04 3D+ -5.5579165d+00 ------------ *** Large Component *** 1 5.0799273d-04 2 4.6579418d-03 3 2.4415124d-02 4 8.4673210d-02 5 2.0459911d-01 6 3.3128342d-01 7 3.5905931d-01 8 2.1805192d-01 9 4.7721061d-02 *** Small Component *** 10 1.3768656d-04 11 7.0527235d-04 12 2.3156958d-03 13 5.3145866d-03 14 8.7772429d-03 15 9.8549599d-03 16 7.4100158d-03 17 3.0916193d-03 18 4.4415698d-04 * Radial Moments Sym Orb S+ 1 3.18126d+03 3.89996d+01 3.91477d-02 2.06561d-03 1.37358d-04 1.10405d-05 2 3.39677d+02 8.80762d+00 1.71729d-01 3.48394d-02 8.06075d-03 2.10634d-03 3 5.84788d+01 2.94794d+00 4.88697d-01 2.73918d-01 1.70585d-01 1.17341d-01 4 7.75197d+00 9.71647d-01 1.36591d+00 2.11505d+00 3.63265d+00 6.89452d+00 5 5.66197d-01 2.73723d-01 4.56312d+00 2.37794d+01 1.39314d+02 9.10680d+02 P- 1 1.09551d+02 8.74388d+00 1.47528d-01 2.67163d-02 5.75531d-03 1.44294d-03 2 1.85216d+01 2.83104d+00 4.89149d-01 2.79048d-01 1.79278d-01 1.28665d-01 3 2.19323d+00 8.48942d-01 1.54868d+00 2.75444d+00 5.51269d+00 1.23468d+01 P+ 1 9.64525d+01 8.40834d+00 1.51655d-01 2.81061d-02 6.18284d-03 1.58098d-03 2 1.64061d+01 2.75357d+00 4.98946d-01 2.90143d-01 1.89967d-01 1.38899d-01 3 1.95656d+00 8.29223d-01 1.58049d+00 2.87008d+00 5.87072d+00 1.34617d+01 D- 1 8.17933d+00 2.52000d+00 4.94303d-01 2.96747d-01 2.12009d-01 1.77251d-01 D+ 1 8.02520d+00 2.49941d+00 4.97869d-01 3.00906d-01 2.16383d-01 1.82068d-01 ******************************************************************************