Rb [Kr]5s(1) 24s21/18p11/11d Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 37.0 Atomic Mass = 85.0 Nuclear Radius = 1.035804E-04 Speed of Light = 137.0359895 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 = -2.979804558622178E+03 Mass Energy = -2.979751001436738E+03 Kinetic Energy = 6.045474098594731E+03 Potential Energy = -6.045527655780170E+03 VIRIAL -[+(CORR )]/ = 1.00000000578087 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ 4.1992791787E+07 o 6.9996420144E+06 o o 1.5822568752E+06 o o 4.2375000090E+05 o o 1.2905596406E+05 o o o 4.3450430206E+04 o o o 1.5874235470E+04 o o o 6.2006874291E+03 o o o 2.5576739277E+03 o o o 1.1025752625E+03 o o o o o 4.9359251803E+02 o o o o o 2.2874950628E+02 o o o o o 1.0890838387E+02 o o o o o 5.3091190255E+01 o o o o o 2.6512906899E+01 o o o o o 1.3335939455E+01 o o o o o 6.6406297368E+00 o o o o o 3.2878156107E+00 o o o o o 1.6022600339E+00 o o o o o 7.1250595466E-01 o o o o o 3.1014435875E-01 o o o 1.2775154588E-01 o o o 3.8797829399E-02 o 1.6350234236E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.1992791787E+07 1.0000000000E+00 1.0000000000E+00 2 6.9996420144E+06 1.0000000000E+00 1.0000000000E+00 3 1.5822568752E+06 1.0000000000E+00 1.0000000000E+00 4 4.2375000090E+05 1.0000000000E+00 1.0000000000E+00 5 1.2905596406E+05 1.0000000000E+00 1.0000000000E+00 6 4.3450430206E+04 1.0000000000E+00 1.0000000000E+00 7 1.5874235470E+04 1.0000000000E+00 1.0000000000E+00 8 6.2006874291E+03 1.0000000000E+00 1.0000000000E+00 9 2.5576739277E+03 1.0000000000E+00 1.0000000000E+00 10 1.1025752625E+03 1.0000000000E+00 1.0000000000E+00 11 4.9359251803E+02 1.0000000000E+00 1.0000000000E+00 12 2.2874950628E+02 1.0000000000E+00 1.0000000000E+00 13 1.0890838387E+02 1.0000000000E+00 1.0000000000E+00 14 5.3091190255E+01 1.0000000000E+00 1.0000000000E+00 15 2.6512906899E+01 1.0000000000E+00 1.0000000000E+00 16 1.3335939455E+01 1.0000000000E+00 1.0000000000E+00 17 6.6406297368E+00 1.0000000000E+00 1.0000000000E+00 18 3.2878156107E+00 1.0000000000E+00 1.0000000000E+00 19 1.6022600339E+00 1.0000000000E+00 1.0000000000E+00 20 7.1250595466E-01 1.0000000000E+00 1.0000000000E+00 21 3.1014435875E-01 1.0000000000E+00 1.0000000000E+00 22 1.2775154588E-01 1.0000000000E+00 1.0000000000E+00 23 3.8797829399E-02 1.0000000000E+00 1.0000000000E+00 24 1.6350234236E-02 1.0000000000E+00 1.0000000000E+00 P- 1 6.9996420144E+06 1.0000000000E+00 1.0000000000E+00 2 1.5822568752E+06 1.0000000000E+00 1.0000000000E+00 3 4.2375000090E+05 1.0000000000E+00 1.0000000000E+00 4 1.2905596406E+05 1.0000000000E+00 1.0000000000E+00 5 4.3450430206E+04 1.0000000000E+00 1.0000000000E+00 6 1.5874235470E+04 1.0000000000E+00 1.0000000000E+00 7 6.2006874291E+03 1.0000000000E+00 1.0000000000E+00 8 2.5576739277E+03 1.0000000000E+00 1.0000000000E+00 9 1.1025752625E+03 1.0000000000E+00 1.0000000000E+00 10 4.9359251803E+02 1.0000000000E+00 1.0000000000E+00 11 2.2874950628E+02 1.0000000000E+00 1.0000000000E+00 12 1.0890838387E+02 1.0000000000E+00 1.0000000000E+00 13 5.3091190255E+01 1.0000000000E+00 1.0000000000E+00 14 2.6512906899E+01 1.0000000000E+00 1.0000000000E+00 15 1.3335939455E+01 1.0000000000E+00 1.0000000000E+00 16 6.6406297368E+00 1.0000000000E+00 1.0000000000E+00 17 3.2878156107E+00 1.0000000000E+00 1.0000000000E+00 18 1.6022600339E+00 1.0000000000E+00 1.0000000000E+00 19 7.1250595466E-01 1.0000000000E+00 1.0000000000E+00 20 3.1014435875E-01 1.0000000000E+00 1.0000000000E+00 21 1.2775154588E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 1.2905596406E+05 1.0000000000E+00 1.0000000000E+00 2 4.3450430206E+04 1.0000000000E+00 1.0000000000E+00 3 1.5874235470E+04 1.0000000000E+00 1.0000000000E+00 4 6.2006874291E+03 1.0000000000E+00 1.0000000000E+00 5 2.5576739277E+03 1.0000000000E+00 1.0000000000E+00 6 1.1025752625E+03 1.0000000000E+00 1.0000000000E+00 7 4.9359251803E+02 1.0000000000E+00 1.0000000000E+00 8 2.2874950628E+02 1.0000000000E+00 1.0000000000E+00 9 1.0890838387E+02 1.0000000000E+00 1.0000000000E+00 10 5.3091190255E+01 1.0000000000E+00 1.0000000000E+00 11 2.6512906899E+01 1.0000000000E+00 1.0000000000E+00 12 1.3335939455E+01 1.0000000000E+00 1.0000000000E+00 13 6.6406297368E+00 1.0000000000E+00 1.0000000000E+00 14 3.2878156107E+00 1.0000000000E+00 1.0000000000E+00 15 1.6022600339E+00 1.0000000000E+00 1.0000000000E+00 16 7.1250595466E-01 1.0000000000E+00 1.0000000000E+00 17 3.1014435875E-01 1.0000000000E+00 1.0000000000E+00 18 1.2775154588E-01 1.0000000000E+00 1.0000000000E+00 D- 1 1.1025752625E+03 1.0000000000E+00 1.0000000000E+00 2 4.9359251803E+02 1.0000000000E+00 1.0000000000E+00 3 2.2874950628E+02 1.0000000000E+00 1.0000000000E+00 4 1.0890838387E+02 1.0000000000E+00 1.0000000000E+00 5 5.3091190255E+01 1.0000000000E+00 1.0000000000E+00 6 2.6512906899E+01 1.0000000000E+00 1.0000000000E+00 7 1.3335939455E+01 1.0000000000E+00 1.0000000000E+00 8 6.6406297368E+00 1.0000000000E+00 1.0000000000E+00 9 3.2878156107E+00 1.0000000000E+00 1.0000000000E+00 10 1.6022600339E+00 1.0000000000E+00 1.0000000000E+00 11 7.1250595466E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 1.1025752625E+03 1.0000000000E+00 1.0000000000E+00 2 4.9359251803E+02 1.0000000000E+00 1.0000000000E+00 3 2.2874950628E+02 1.0000000000E+00 1.0000000000E+00 4 1.0890838387E+02 1.0000000000E+00 1.0000000000E+00 5 5.3091190255E+01 1.0000000000E+00 1.0000000000E+00 6 2.6512906899E+01 1.0000000000E+00 1.0000000000E+00 7 1.3335939455E+01 1.0000000000E+00 1.0000000000E+00 8 6.6406297368E+00 1.0000000000E+00 1.0000000000E+00 9 3.2878156107E+00 1.0000000000E+00 1.0000000000E+00 10 1.6022600339E+00 1.0000000000E+00 1.0000000000E+00 11 7.1250595466E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -5.6213247E+02 -7.7501369E+01 -1.2559843E+01 -1.5662176E+00 -1.4000202E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.5356614E-05 -5.0066787E-06 -2.0346066E-06 6.8808238E-07 1.4600260E-07 2 5.3381098E-05 -1.7441685E-05 -7.0900692E-06 2.3983069E-06 5.0906376E-07 3 1.6797028E-04 -5.5043661E-05 -2.2383286E-05 7.5698395E-06 1.6059284E-06 4 5.0723616E-04 -1.6681184E-04 -6.7867502E-05 2.2963440E-05 4.8756366E-06 5 1.5116023E-03 -4.9911094E-04 -2.0315779E-04 6.8704280E-05 1.4570407E-05 6 4.4132235E-03 -1.4640908E-03 -5.9635993E-04 2.0186498E-04 4.2879974E-05 7 1.2447861E-02 -4.1624723E-03 -1.6970771E-03 5.7392860E-04 1.2165825E-04 8 3.3317111E-02 -1.1316294E-02 -4.6239736E-03 1.5664313E-03 3.3294386E-04 9 8.2410783E-02 -2.8975080E-02 -1.1892630E-02 4.0249565E-03 8.5273445E-04 10 1.7880321E-01 -6.7671974E-02 -2.8060366E-02 9.5325397E-03 2.0283993E-03 11 3.0590066E-01 -1.3511021E-01 -5.7237225E-02 1.9456862E-02 4.1184828E-03 12 3.3723959E-01 -1.9770002E-01 -8.7431015E-02 3.0067813E-02 6.4275471E-03 13 1.6877159E-01 -1.1690065E-01 -5.4988321E-02 1.8836863E-02 3.9120134E-03 14 1.9600100E-02 2.5353769E-01 1.4655724E-01 -5.1912308E-02 -1.0848774E-02 15 1.9057231E-03 5.7817096E-01 4.6096660E-01 -1.7621659E-01 -3.8413005E-02 16 -9.5881800E-04 3.1766541E-01 3.2739797E-01 -1.2620098E-01 -2.6087397E-02 17 6.1553260E-04 3.6068298E-02 -3.8867925E-01 1.7391020E-01 3.5748508E-02 18 -4.4009595E-04 3.5556018E-03 -7.2720477E-01 5.1026613E-01 1.2301586E-01 19 2.2630922E-04 -6.3317210E-04 -2.2889987E-01 2.6468344E-01 5.5897405E-02 20 -1.0725295E-04 3.3959374E-04 -4.1920071E-03 -5.9246689E-01 -1.5455451E-01 21 5.2379742E-05 -2.2881371E-04 -2.5425173E-03 -6.6458689E-01 -2.7601118E-01 22 -2.0461455E-05 7.8333652E-05 5.6375763E-04 -8.7611775E-02 -1.5838695E-01 23 7.4440988E-06 -2.9500148E-05 -2.2781706E-04 1.7572087E-03 6.5569189E-01 24 -2.7255012E-06 1.0931085E-05 8.7490002E-05 -8.5244938E-04 5.3396767E-01 *** Small-Component *** 25 4.4052902E-05 -1.4340172E-05 -5.8262403E-06 1.9699433E-06 4.1784527E-07 26 1.6352059E-04 -5.3229952E-05 -2.1627909E-05 7.3166539E-06 1.5535588E-06 27 4.2978444E-04 -1.3994226E-04 -5.6858317E-05 1.9222845E-05 4.0765567E-06 28 1.0155273E-03 -3.3078141E-04 -1.3441284E-04 4.5478078E-05 9.6589564E-06 29 2.1998057E-03 -7.1740179E-04 -2.9153560E-04 9.8552234E-05 2.0893929E-05 30 4.4599227E-03 -1.4582623E-03 -5.9287655E-04 2.0064801E-04 4.2629469E-05 31 8.5096385E-03 -2.8012949E-03 -1.1397865E-03 3.8530125E-04 8.1657457E-05 32 1.5263407E-02 -5.1017752E-03 -2.0803745E-03 7.0456497E-04 1.4976731E-04 33 2.5301342E-02 -8.7573280E-03 -3.5871973E-03 1.2136130E-03 2.5708769E-04 34 3.6971502E-02 -1.3786415E-02 -5.7060907E-03 1.9379347E-03 4.1237646E-04 35 4.2951688E-02 -1.8711186E-02 -7.9136652E-03 2.6893647E-03 5.6922827E-04 36 3.2500967E-02 -1.8821050E-02 -8.3131963E-03 2.8584136E-03 6.1103386E-04 37 1.1267359E-02 -7.7510549E-03 -3.6467541E-03 1.2493628E-03 2.5951431E-04 38 9.1481650E-04 1.1636579E-02 6.7105843E-03 -2.3759421E-03 -4.9645587E-04 39 6.2755066E-05 1.8827545E-02 1.4985838E-02 -5.7275564E-03 -1.2485179E-03 40 -2.2475459E-05 7.3437879E-03 7.5610192E-03 -2.9146165E-03 -6.0251993E-04 41 1.0189227E-05 5.8827680E-04 -6.3274935E-03 2.8301640E-03 5.8171706E-04 42 -5.1210002E-06 4.0877855E-05 -8.3344238E-03 5.8465889E-03 1.4094721E-03 43 1.8405826E-06 -5.1166506E-06 -1.8317078E-03 2.1176320E-03 4.4723641E-04 44 -5.8216690E-07 1.8334329E-06 -2.2329801E-05 -3.1604705E-03 -8.2443712E-04 45 1.8773469E-07 -8.1509747E-07 -8.9673832E-06 -2.3390495E-03 -9.7141110E-04 46 -4.7167773E-08 1.8059965E-07 1.2804718E-06 -1.9790746E-04 -3.5776817E-04 47 9.4996880E-09 -3.8027499E-08 -2.8613832E-07 2.1885121E-06 8.1620451E-04 48 -2.2727249E-09 9.3407540E-09 7.1699474E-08 -6.8928058E-07 4.3149320E-04 2P- 3P- 4P- -7.0016393E+01 -9.8182154E+00 -8.3224818E-01 ------------ ------------ ------------ *** Large-Component *** 1 7.1514691E-06 -2.9542120E-06 8.8330539E-07 2 1.4521424E-05 -5.9983851E-06 1.7940085E-06 3 3.8912623E-05 -1.6077676E-05 4.8059787E-06 4 8.5966102E-05 -3.5514953E-05 1.0627927E-05 5 1.9983557E-04 -8.2650895E-05 2.4685954E-05 6 4.7773268E-04 -1.9759842E-04 5.9222101E-05 7 1.2801736E-03 -5.3133462E-04 1.5854912E-04 8 3.7857977E-03 -1.5742346E-03 4.7260715E-04 9 1.1871383E-02 -4.9796170E-03 1.4878059E-03 10 3.6094916E-02 -1.5325361E-02 4.6134795E-03 11 9.9029019E-02 -4.3296674E-02 1.3015239E-02 12 2.2128423E-01 -1.0077652E-01 3.0654369E-02 13 3.5222038E-01 -1.7032364E-01 5.1926480E-02 14 3.2429544E-01 -1.4497546E-01 4.4144190E-02 15 1.2685813E-01 1.1441844E-01 -4.8853616E-02 16 1.3999548E-02 4.4182201E-01 -1.6862955E-01 17 1.3397439E-03 4.4517870E-01 -2.1017911E-01 18 -5.0904079E-05 1.3939339E-01 4.3685267E-02 19 8.3221268E-05 7.4563342E-03 4.6029923E-01 20 -3.9992205E-05 5.6298203E-04 5.0416177E-01 21 1.0971696E-05 -9.4164722E-05 1.4831215E-01 *** Small-Component *** 22 1.1729820E-06 -4.8536725E-07 1.4452233E-07 23 3.2525437E-06 -1.3420383E-06 4.0371252E-07 24 9.1386196E-06 -3.7870669E-06 1.1253177E-06 25 2.4557918E-05 -1.0141932E-05 3.0533894E-06 26 6.6152610E-05 -2.7447032E-05 8.1599058E-06 27 1.7507954E-04 -7.2450174E-05 2.1793356E-05 28 4.5762927E-04 -1.9026801E-04 5.6670595E-05 29 1.1534692E-03 -4.7980671E-04 1.4419914E-04 30 2.7742799E-03 -1.1642173E-03 3.4770847E-04 31 6.0995884E-03 -2.5900448E-03 7.7985644E-04 32 1.1820798E-02 -5.1693339E-03 1.5538384E-03 33 1.8542496E-02 -8.4481282E-03 2.5700224E-03 34 2.0765087E-02 -1.0049868E-02 3.0641177E-03 35 1.3535860E-02 -6.0636486E-03 1.8471148E-03 36 3.7236148E-03 3.4139773E-03 -1.4558486E-03 37 2.5835435E-04 9.2917246E-03 -3.5453241E-03 38 -2.7721470E-06 6.5885416E-03 -3.1099677E-03 39 -1.3253722E-05 1.4409086E-03 4.5024105E-04 40 -9.0616354E-06 5.2115257E-05 3.1692624E-03 41 -2.8798621E-06 2.7769421E-06 2.2905554E-03 42 -4.4683358E-06 8.2062974E-08 4.3218908E-04 2P+ 3P+ 4P+ -6.7764120E+01 -9.4648067E+00 -7.9621953E-01 ------------ ------------ ------------ *** Large-Component *** 1 6.9386094E-06 -2.8736533E-06 8.6086431E-07 2 2.6527215E-05 -1.1039724E-05 3.2592856E-06 3 1.3531572E-04 -5.6105585E-05 1.6819568E-05 4 5.9370857E-04 -2.4737315E-04 7.3281584E-05 5 2.4496020E-03 -1.0207527E-03 3.0546415E-04 6 9.2818178E-03 -3.9011196E-03 1.1594031E-03 7 3.1327055E-02 -1.3318620E-02 3.9914738E-03 8 9.1223475E-02 -3.9916973E-02 1.1939951E-02 9 2.1217403E-01 -9.6676988E-02 2.9262051E-02 10 3.4936619E-01 -1.6923970E-01 5.1351365E-02 11 3.3412612E-01 -1.5410750E-01 4.6934672E-02 12 1.3765087E-01 9.5540260E-02 -4.1666354E-02 13 1.6388609E-02 4.3074577E-01 -1.6283774E-01 14 1.4537610E-03 4.5721372E-01 -2.1390646E-01 15 -4.1316566E-05 1.5302372E-01 2.4561914E-02 16 8.5875143E-05 9.1250051E-03 4.4400062E-01 17 -4.2082580E-05 5.9349232E-04 5.1462032E-01 18 1.1569883E-05 -9.7851425E-05 1.6605574E-01 *** Small-Component *** 19 1.2193750E-05 -5.0381219E-06 1.5134309E-06 20 3.4424181E-05 -1.4306654E-05 4.2142843E-06 21 1.1592949E-04 -4.7955359E-05 1.4387502E-05 22 3.4313199E-04 -1.4268402E-04 4.2235099E-05 23 9.4828593E-04 -3.9429575E-04 1.1798794E-04 24 2.4256184E-03 -1.0174450E-03 3.0226359E-04 25 5.5689228E-03 -2.3630772E-03 7.0804424E-04 26 1.1151451E-02 -4.8711057E-03 1.4566597E-03 27 1.7996575E-02 -8.1878279E-03 2.4778177E-03 28 2.0752095E-02 -1.0040060E-02 3.0458892E-03 29 1.4047940E-02 -6.4745318E-03 1.9718702E-03 30 4.1071149E-03 2.8412458E-03 -1.2391394E-03 31 3.4506889E-04 9.0547669E-03 -3.4224164E-03 32 2.1525588E-05 6.7646292E-03 -3.1642873E-03 33 -4.2836660E-07 1.5806814E-03 2.5345954E-04 34 5.9181187E-07 6.2845198E-05 3.0576733E-03 35 -1.9124783E-07 2.7007452E-06 2.3382589E-03 36 3.3710112E-08 -2.8651125E-07 4.8424476E-04 3D- -4.6757770E+00 ------------ *** Large-Component *** 1 2.5257012E-04 2 7.6163669E-04 3 3.9123292E-03 4 1.5137428E-02 5 4.8886170E-02 6 1.2606754E-01 7 2.4805157E-01 8 3.4053973E-01 9 3.1026764E-01 10 1.5707587E-01 11 3.1164649E-02 *** Small-Component *** 12 6.3102416E-05 13 1.5484308E-04 14 5.4302076E-04 15 1.4986409E-03 16 3.4044140E-03 17 6.2404482E-03 18 8.7244071E-03 19 8.4629571E-03 20 5.4266166E-03 21 1.9182988E-03 22 2.5287328E-04 3D+ -4.6157520E+00 ------------ *** Large-Component *** 1 1.8761538E-04 2 6.9702237E-04 3 3.6114622E-03 4 1.4557440E-02 5 4.7647040E-02 6 1.2413521E-01 7 2.4573485E-01 8 3.3980710E-01 9 3.1248506E-01 10 1.6025017E-01 11 3.2351616E-02 *** Small-Component *** 12 5.7342100E-05 13 1.4645320E-04 14 5.1987044E-04 15 1.4566753E-03 16 3.3392811E-03 17 6.1608143E-03 18 8.6577055E-03 19 8.4516671E-03 20 5.4697328E-03 21 1.9583489E-03 22 2.6363823E-04 RADIAL MOMENTS Sym Orb S+ 1 2.99503E+03 3.78807E+01 4.02780E-02 2.18603E-03 1.49504E-04 1.23654E-05 2 3.17526E+02 8.53080E+00 1.77060E-01 3.70334E-02 8.83521E-03 2.38084E-03 3 5.37645E+01 2.83436E+00 5.07245E-01 2.95256E-01 1.91114E-01 1.36598E-01 4 6.47741E+00 8.97313E-01 1.47280E+00 2.46981E+00 4.62151E+00 9.60371E+00 5 3.26692E-01 2.21887E-01 5.54446E+00 3.50915E+01 2.49674E+02 1.97912E+03 P- 1 1.02462E+02 8.46604E+00 1.52311E-01 2.84773E-02 6.33455E-03 1.64018E-03 2 1.70020E+01 2.71563E+00 5.09466E-01 3.02961E-01 2.03184E-01 1.52442E-01 3 1.78006E+00 7.69582E-01 1.70343E+00 3.35446E+00 7.49816E+00 1.89245E+01 P+ 1 9.08349E+01 8.15866E+00 1.56341E-01 2.98780E-02 6.77949E-03 1.78867E-03 2 1.51566E+01 2.64487E+00 5.19246E-01 3.14518E-01 2.14824E-01 1.64138E-01 3 1.59489E+00 7.51685E-01 1.73897E+00 3.49677E+00 7.98379E+00 2.05837E+01 D- 1 7.45893E+00 2.40188E+00 5.20777E-01 3.30809E-01 2.51168E-01 2.24138E-01 D+ 1 7.32445E+00 2.38298E+00 5.24436E-01 3.35343E-01 2.56249E-01 2.30109E-01