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3.2859735E-07 -2.1352919E-07 -3.0715619E-04 3D+ 4D+ 5D+ -8.9459480E+01 -1.5046017E+01 -8.0571452E-01 ------------ ------------ ------------ 1 1.1643554E-05 -6.0777206E-06 -1.9763101E-06 2 1.1181276E-04 -5.8899242E-05 -1.9149688E-05 3 8.8872045E-04 -4.6686691E-04 -1.5188913E-04 4 5.4958742E-03 -2.9106597E-03 -9.4765746E-04 5 2.5245177E-02 -1.3451853E-02 -4.3870713E-03 6 8.4734331E-02 -4.5988202E-02 -1.5042371E-02 7 2.0093702E-01 -1.1049184E-01 -3.6244465E-02 8 3.2509159E-01 -1.7599906E-01 -5.7547457E-02 9 3.3365928E-01 -1.4504646E-01 -4.4629585E-02 10 1.8296506E-01 8.1727878E-02 4.2370465E-02 11 4.7374514E-02 3.5381693E-01 1.4444962E-01 12 4.1228140E-03 4.3463875E-01 1.7702293E-01 13 5.7488338E-04 2.3083025E-01 4.2510911E-04 14 -6.4790905E-05 4.1786459E-02 -3.0479529E-01 15 4.2429557E-05 1.8323146E-03 -4.5669608E-01 16 -1.7044870E-05 1.0010898E-04 -3.3147333E-01 17 4.7488797E-06 -1.4553019E-05 -9.6943041E-02 18 1.2833625E-05 -6.6713090E-06 -2.1688750E-06 19 8.5511753E-05 -4.4976001E-05 -1.4616241E-05 20 4.4887683E-04 -2.3519749E-04 -7.6486811E-05 21 1.8538748E-03 -9.7963927E-04 -3.1881586E-04 22 5.7941626E-03 -3.0807798E-03 -1.0043566E-03 23 1.3584083E-02 -7.3586657E-03 -2.4061341E-03 24 2.3074851E-02 -1.2668131E-02 -4.1543709E-03 25 2.7305534E-02 -1.4765681E-02 -4.8271403E-03 26 2.0825483E-02 -9.0529759E-03 -2.7863390E-03 27 8.5561563E-03 3.7988431E-03 1.9706737E-03 28 1.6608578E-03 1.2372860E-02 5.0501493E-03 29 1.0761424E-04 1.1321868E-02 4.6103593E-03 30 1.0978763E-05 4.4104274E-03 8.9636597E-06 31 -8.8326921E-07 5.7195120E-04 -4.1702680E-03 32 4.0135145E-07 1.7419226E-05 -4.3372841E-03 33 -1.0725905E-07 6.2936890E-07 -2.0993764E-03 34 1.8884719E-08 -5.7190852E-08 -3.9014915E-04 4F- -5.1903310E+00 ------------ 1 1.9590433E-04 2 1.3590581E-03 3 8.2154395E-03 4 3.3832784E-02 5 9.7747461E-02 6 2.0746056E-01 7 3.0693842E-01 8 3.3108921E-01 9 2.3747545E-01 10 9.1372271E-02 11 1.3775445E-02 12 5.9031496E-05 13 3.0350844E-04 14 1.2739973E-03 15 3.7039302E-03 16 7.6728804E-03 17 1.1839486E-02 18 1.2802868E-02 19 1.0045709E-02 20 5.1581273E-03 21 1.3825839E-03 22 1.3935838E-04 4F+ -5.0143188E+00 ------------ 1 1.3598000E-04 2 1.1511190E-03 3 7.4390737E-03 4 3.1883579E-02 5 9.4374933E-02 6 2.0271768E-01 7 3.0380205E-01 8 3.3320021E-01 9 2.4314501E-01 10 9.5941838E-02 11 1.5278741E-02 12 4.9520678E-05 13 2.7325122E-04 14 1.1863443E-03 15 3.5314533E-03 16 7.4491645E-03 17 1.1604058E-02 18 1.2693558E-02 19 1.0120179E-02 20 5.2858475E-03 21 1.4530931E-03 22 1.5511744E-04 ******************** LEAD SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.4397170675E+09 0.1000000000E+01 0.1000000000E+01 2 0.9997473321E+08 0.1000000000E+01 0.1000000000E+01 3 0.2559639542E+08 0.1000000000E+01 0.1000000000E+01 4 0.7324217259E+07 0.1000000000E+01 0.1000000000E+01 5 0.2324661387E+07 0.1000000000E+01 0.1000000000E+01 6 0.8122626549E+06 0.1000000000E+01 0.1000000000E+01 7 0.3100943095E+06 0.1000000000E+01 0.1000000000E+01 8 0.1283730494E+06 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-1.9726278E-07 -1.9555394E-03 34 1.0851819E-08 3.9102285E-08 -2.5449431E-04 4F- -5.9331197E+00 ------------ 1 -2.3544790E-04 2 -1.5835577E-03 3 -9.3158011E-03 4 -3.6883361E-02 5 -1.0345734E-01 6 -2.1325417E-01 7 -3.0897448E-01 8 -3.2807937E-01 9 -2.2846379E-01 10 -8.3156588E-02 11 -1.0770565E-02 12 -7.0167410E-05 13 -3.4926819E-04 14 -1.4295383E-03 15 -4.0117818E-03 16 -8.1037157E-03 17 -1.2199024E-02 18 -1.2972118E-02 19 -1.0055420E-02 20 -5.0263192E-03 21 -1.2765239E-03 22 -1.1046498E-04 4F+ -5.7412893E+00 ------------ 1 -1.6489822E-04 2 -1.3459956E-03 3 -8.4427613E-03 4 -3.4786594E-02 5 -9.9917448E-02 6 -2.0844166E-01 7 -3.0608002E-01 8 -3.3055973E-01 9 -2.3428352E-01 10 -8.7594331E-02 11 -1.2020323E-02 12 -5.8968936E-05 13 -3.1470741E-04 14 -1.3314117E-03 15 -3.8268361E-03 16 -7.8696607E-03 17 -1.1960185E-02 18 -1.2872708E-02 19 -1.0142223E-02 20 -5.1591105E-03 21 -1.3460698E-03 22 -1.2386318E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ 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-5.2073473E-03 26 2.2593891E-02 1.0488584E-02 -3.4486674E-03 27 9.9715219E-03 -2.6131136E-03 1.6517669E-03 28 2.0377228E-03 -1.2549494E-02 5.4118244E-03 29 1.4072894E-04 -1.2140633E-02 5.2358698E-03 30 1.0089865E-05 -4.7933847E-03 1.0764727E-04 31 -3.7059144E-07 -5.9480710E-04 -4.6414313E-03 32 2.2544151E-07 -1.6387173E-05 -4.6595594E-03 33 -6.0450580E-08 -1.9727236E-07 -1.9555429E-03 34 1.0851780E-08 3.9103208E-08 -2.5449606E-04 4F- -5.9331113E+00 ------------ 1 -2.3544771E-04 2 -1.5835560E-03 3 -9.3157936E-03 4 -3.6883332E-02 5 -1.0345727E-01 6 -2.1325407E-01 7 -3.0897441E-01 8 -3.2807938E-01 9 -2.2846394E-01 10 -8.3156714E-02 11 -1.0770602E-02 12 -7.0167352E-05 13 -3.4926782E-04 14 -1.4295371E-03 15 -4.0117786E-03 16 -8.1037103E-03 17 -1.2199019E-02 18 -1.2972115E-02 19 -1.0055420E-02 20 -5.0263226E-03 21 -1.2765258E-03 22 -1.1046536E-04 4F+ -5.7412810E+00 ------------ 1 -1.6489809E-04 2 -1.3459942E-03 3 -8.4427545E-03 4 -3.4786567E-02 5 -9.9917382E-02 6 -2.0844157E-01 7 -3.0607995E-01 8 -3.3055973E-01 9 -2.3428367E-01 10 -8.7594459E-02 11 -1.2020364E-02 12 -5.8968890E-05 13 -3.1470708E-04 14 -1.3314107E-03 15 -3.8268332E-03 16 -7.8696555E-03 17 -1.1960179E-02 18 -1.2872705E-02 19 -1.0142224E-02 20 -5.1591139E-03 21 -1.3460718E-03 22 -1.2386361E-04 ******************** BISMUTH SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.4542592793E+09 0.1000000000E+01 0.1000000000E+01 2 0.1041292784E+09 0.1000000000E+01 0.1000000000E+01 3 0.2686682302E+08 0.1000000000E+01 0.1000000000E+01 4 0.7743958349E+07 0.1000000000E+01 0.1000000000E+01 5 0.2474809506E+07 0.1000000000E+01 0.1000000000E+01 6 0.8703249831E+06 0.1000000000E+01 0.1000000000E+01 7 0.3342803647E+06 0.1000000000E+01 0.1000000000E+01 8 0.1391742409E+06 0.1000000000E+01 0.1000000000E+01 9 0.6233820123E+05 0.1000000000E+01 0.1000000000E+01 10 0.2981438929E+05 0.1000000000E+01 0.1000000000E+01 11 0.1511132860E+05 0.1000000000E+01 0.1000000000E+01 12 0.8055885715E+04 0.1000000000E+01 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0.1013470007E+09 0.1000000000E+01 0.1000000000E+01 2 0.2418391061E+08 0.1000000000E+01 0.1000000000E+01 3 0.6441078405E+07 0.1000000000E+01 0.1000000000E+01 4 0.1900036971E+07 0.1000000000E+01 0.1000000000E+01 5 0.6160158785E+06 0.1000000000E+01 0.1000000000E+01 6 0.2178226976E+06 0.1000000000E+01 0.1000000000E+01 7 0.8335865683E+05 0.1000000000E+01 0.1000000000E+01 8 0.3426017803E+05 0.1000000000E+01 0.1000000000E+01 9 0.1500634181E+05 0.1000000000E+01 0.1000000000E+01 10 0.6951224996E+04 0.1000000000E+01 0.1000000000E+01 11 0.3379124010E+04 0.1000000000E+01 0.1000000000E+01 12 0.1710638208E+04 0.1000000000E+01 0.1000000000E+01 13 0.8949081014E+03 0.1000000000E+01 0.1000000000E+01 14 0.4800869778E+03 0.1000000000E+01 0.1000000000E+01 15 0.2620822494E+03 0.1000000000E+01 0.1000000000E+01 16 0.1444729247E+03 0.1000000000E+01 0.1000000000E+01 17 0.7980341532E+02 0.1000000000E+01 0.1000000000E+01 18 0.4383263997E+02 0.1000000000E+01 0.1000000000E+01 19 0.2375581289E+02 0.1000000000E+01 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0.1000000000E+01 6 0.2956100488E+02 0.1000000000E+01 0.1000000000E+01 7 0.1585355746E+02 0.1000000000E+01 0.1000000000E+01 8 0.8422902279E+01 0.1000000000E+01 0.1000000000E+01 9 0.4329020543E+01 0.1000000000E+01 0.1000000000E+01 10 0.2101724301E+01 0.1000000000E+01 0.1000000000E+01 11 0.9412075872E+00 0.1000000000E+01 0.1000000000E+01 F+ 1 0.1331393026E+04 0.1000000000E+01 0.1000000000E+01 2 0.5236688724E+03 0.1000000000E+01 0.1000000000E+01 3 0.2298306427E+03 0.1000000000E+01 0.1000000000E+01 4 0.1099069495E+03 0.1000000000E+01 0.1000000000E+01 5 0.5592085304E+02 0.1000000000E+01 0.1000000000E+01 6 0.2956100488E+02 0.1000000000E+01 0.1000000000E+01 7 0.1585355746E+02 0.1000000000E+01 0.1000000000E+01 8 0.8422902279E+01 0.1000000000E+01 0.1000000000E+01 9 0.4329020543E+01 0.1000000000E+01 0.1000000000E+01 10 0.2101724301E+01 0.1000000000E+01 0.1000000000E+01 11 0.9412075872E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ F- F+ NUMBER OF CLOSED SHELLS 6 4 4 3 3 1 1 OPEN SHELLS 0 1 1 0 0 0 0 NUMBER OF OPEN SHELL CONFG 3 CONF OPEN SHELL OCCUPATION NUMBERS 1 0.0 2.0 1.0 0.0 0.0 0.0 0.0 2 0.0 1.0 2.0 0.0 0.0 0.0 0.0 3 0.0 0.0 3.0 0.0 0.0 0.0 0.0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -3.3493980E+03 -6.0738856E+02 -1.4929312E+02 -3.5733575E+01 -6.6861241E+00 -6.8616001E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 7.8871247E-06 3.1200231E-06 1.5037877E-06 -7.6101430E-07 3.4596240E-07 1.2191204E-07 2 -9.9498943E-05 -3.9360467E-05 -1.8970713E-05 9.6007819E-06 -4.3637104E-06 -1.5377109E-06 3 -4.5635861E-04 -1.8104448E-04 -8.7298024E-05 4.4187718E-05 -2.0078747E-05 -7.0755367E-06 4 -1.0175168E-03 -4.0565101E-04 -1.9576349E-04 9.9103687E-05 -4.5048288E-05 -1.5874632E-05 5 -2.1974037E-03 -8.8186686E-04 -4.2603136E-04 2.1574982E-04 -9.8035389E-05 -3.4547464E-05 6 -4.2646901E-03 -1.7283426E-03 -8.3633227E-04 4.2364601E-04 -1.9264586E-04 -6.7888746E-05 7 -8.1585532E-03 -3.3461018E-03 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-2.3213437E-01 10 -8.2089326E-02 11 -9.4494285E-03 12 -6.9234893E-05 13 -3.4147310E-04 14 -1.3918061E-03 15 -3.9410397E-03 16 -8.0556110E-03 17 -1.2362865E-02 18 -1.3422228E-02 19 -1.0554569E-02 20 -5.2816514E-03 21 -1.3013075E-03 22 -9.9784021E-05 4F+ -6.4961214E+00 ------------ 1 1.5827471E-04 2 1.2771931E-03 3 7.9622675E-03 4 3.3041230E-02 5 9.5957054E-02 6 2.0397759E-01 7 3.0572934E-01 8 3.3517754E-01 9 2.3812765E-01 10 8.6592840E-02 11 1.0581229E-02 12 5.7817007E-05 13 3.0649623E-04 14 1.2928009E-03 15 3.7518000E-03 16 7.8138503E-03 17 1.2113141E-02 18 1.3312443E-02 19 1.0644890E-02 20 5.4233412E-03 21 1.3742850E-03 22 1.1238046E-04 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -3.3494256E+03 -6.0739285E+02 -1.4929411E+02 -3.5733830E+01 -6.6861767E+00 -6.8616700E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 1.4192927E-06 5.6246799E-07 -2.7121352E-07 1.3721353E-07 6.2494568E-08 -2.2021843E-08 2 -1.0643012E-04 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3 7.9676492E-04 -4.2733530E-04 -1.5723013E-04 4 5.0307663E-03 -2.7160590E-03 -9.9915962E-04 5 2.3392405E-02 -1.2717936E-02 -4.6903001E-03 6 7.8708739E-02 -4.3522116E-02 -1.6088269E-02 7 1.8730567E-01 -1.0513355E-01 -3.9023361E-02 8 3.0707825E-01 -1.7022316E-01 -6.2930913E-02 9 3.3101578E-01 -1.5652268E-01 -5.5562784E-02 10 2.0346434E-01 3.6029037E-02 2.9346827E-02 11 6.4413493E-02 3.0217782E-01 1.4257396E-01 12 7.8322681E-03 4.3613295E-01 2.0781969E-01 13 7.1767850E-04 2.8326747E-01 5.9372917E-02 14 -2.1119527E-05 6.8423563E-02 -2.8099075E-01 15 2.9801723E-05 3.6292057E-03 -4.9915119E-01 16 -1.2016262E-05 1.5771482E-04 -3.3558387E-01 17 3.9809638E-06 -7.1806941E-05 -7.3746704E-02 18 1.1086428E-05 -5.8954005E-06 -2.1710366E-06 19 7.8267423E-05 -4.1921586E-05 -1.5379620E-05 20 4.2677003E-04 -2.2827747E-04 -8.3956978E-05 21 1.8002415E-03 -9.6951759E-04 -3.5646759E-04 22 5.6997040E-03 -3.0915138E-03 -1.1396349E-03 23 1.3425133E-02 -7.4078969E-03 -2.7372486E-03 24 2.2989052E-02 -1.2880549E-02 -4.7794410E-03 25 2.7754802E-02 -1.5364921E-02 -5.6790400E-03 26 2.2434297E-02 -1.0604986E-02 -3.7652764E-03 27 1.0446821E-02 1.8270875E-03 1.4943053E-03 28 2.5109213E-03 1.1744063E-02 5.5395717E-03 29 2.3059044E-04 1.2805941E-02 6.1005897E-03 30 1.5652159E-05 6.1928803E-03 1.2987719E-03 31 -3.1502123E-07 1.0883350E-03 -4.4670056E-03 32 3.2536253E-07 4.0718788E-05 -5.5951439E-03 33 -8.7927894E-08 1.1895060E-06 -2.5476566E-03 34 1.8540976E-08 -3.4936551E-07 -3.6107519E-04 4F- -7.5059736E+00 ------------ 1 2.3344350E-04 2 1.4637517E-03 3 8.4164092E-03 4 3.3717838E-02 5 9.7185506E-02 6 2.0848042E-01 7 3.1353878E-01 8 3.3813913E-01 9 2.3010206E-01 10 7.6042295E-02 11 7.4034386E-03 12 7.0867334E-05 13 3.3663449E-04 14 1.3605641E-03 15 3.8922171E-03 16 8.1011796E-03 17 1.2690139E-02 18 1.3976204E-02 19 1.0965601E-02 20 5.3347490E-03 21 1.2252048E-03 22 7.9237149E-05 4F+ -7.2793947E+00 ------------ 1 -1.5956956E-04 2 -1.2293373E-03 3 -7.5612064E-03 4 -3.1626436E-02 5 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1.7029322E-02 -1.3263753E-02 -4.2259149E-03 49 -4.8385970E-07 7.3584081E-06 4.6879652E-03 -8.0955436E-04 -4.5848904E-05 50 8.1238074E-08 -2.3914784E-06 9.0075220E-05 8.4260531E-03 3.5393977E-03 51 -6.2167119E-08 1.0608259E-07 2.8289650E-05 3.1984917E-03 1.4971341E-03 52 1.4768048E-08 -7.0448577E-08 -7.6466932E-06 1.3802645E-04 -1.6059687E-03 53 -4.0463560E-09 1.7439337E-08 1.8012732E-06 1.4579545E-05 -1.9136430E-03 54 9.5783363E-10 -8.5449360E-10 -3.4011994E-07 -9.9901112E-07 -4.8818334E-04 3D- 4D- 5D- -1.0451916E+02 -1.9167921E+01 -1.6481531E+00 ------------ ------------ ------------ 1 7.7361243E-05 -4.1303968E-05 1.5379494E-05 2 3.2398718E-04 -1.7345001E-04 6.4581170E-05 3 1.6154309E-03 -8.6615889E-04 3.2282147E-04 4 7.4085407E-03 -3.9992637E-03 1.4915318E-03 5 2.9086520E-02 -1.5820094E-02 5.9130167E-03 6 8.9006864E-02 -4.9239834E-02 1.8454245E-02 7 2.0030257E-01 -1.1220223E-01 4.2190180E-02 8 3.1380672E-01 -1.7251424E-01 6.4545730E-02 9 3.2325363E-01 -1.4562850E-01 5.1512242E-02 10 1.8882956E-01 6.0321704E-02 -4.0629897E-02 11 5.6319310E-02 3.2203486E-01 -1.5384640E-01 12 6.2985370E-03 4.3106794E-01 -2.0684598E-01 13 6.3014238E-04 2.6174623E-01 -3.5673931E-02 14 -4.7779461E-05 5.8332526E-02 3.1197600E-01 15 3.5324921E-05 2.7662010E-03 4.9906011E-01 16 -1.3077601E-05 8.9071173E-05 3.0839130E-01 17 4.4559135E-06 -6.4222064E-05 5.9529084E-02 18 2.7628322E-05 -1.4752218E-05 5.4979643E-06 19 1.3787662E-04 -7.3981020E-05 2.7544724E-05 20 6.1541931E-04 -3.3019941E-04 1.2310938E-04 21 2.2780648E-03 -1.2304995E-03 4.5893376E-04 22 6.6240021E-03 -3.6035757E-03 1.3470026E-03 23 1.4725529E-02 -8.1480575E-03 3.0538085E-03 24 2.4190351E-02 -1.3558500E-02 5.0989177E-03 25 2.8103234E-02 -1.5467440E-02 5.7883703E-03 26 2.1749353E-02 -9.8237192E-03 3.4778843E-03 27 9.6128269E-03 3.0693604E-03 -2.0685913E-03 28 2.1500664E-03 1.2506459E-02 -5.9738276E-03 29 1.6373865E-04 1.2647008E-02 -6.0691515E-03 30 1.6376778E-06 5.7165599E-03 -7.8133380E-04 31 -6.0926684E-06 9.2461971E-04 4.9586509E-03 32 -2.4462208E-06 2.9592216E-05 5.5932857E-03 33 -1.0429170E-06 1.0503680E-07 2.3408921E-03 34 -5.5549154E-07 -6.1763979E-07 2.9126359E-04 3D+ 4D+ 5D+ -1.0021576E+02 -1.8193408E+01 -1.5127021E+00 ------------ ------------ ------------ 1 9.5884362E-06 -5.1160506E-06 -1.8829701E-06 2 9.6829516E-05 -5.1964754E-05 -1.9078704E-05 3 7.9676423E-04 -4.2733489E-04 -1.5722992E-04 4 5.0307631E-03 -2.7160571E-03 -9.9915852E-04 5 2.3392390E-02 -1.2717927E-02 -4.6902947E-03 6 7.8708692E-02 -4.3522087E-02 -1.6088252E-02 7 1.8730559E-01 -1.0513350E-01 -3.9023325E-02 8 3.0707819E-01 -1.7022312E-01 -6.2930874E-02 9 3.3101580E-01 -1.5652273E-01 -5.5562784E-02 10 2.0346445E-01 3.6028863E-02 2.9346725E-02 11 6.4413568E-02 3.0217764E-01 1.4257383E-01 12 7.8322804E-03 4.3613290E-01 2.0781958E-01 13 7.1768032E-04 2.8326769E-01 5.9373119E-02 14 -2.1119666E-05 6.8423696E-02 -2.8099026E-01 15 2.9801917E-05 3.6292149E-03 -4.9915097E-01 16 -1.2016335E-05 1.5771632E-04 -3.3558437E-01 17 3.9809758E-06 -7.1807204E-05 -7.3747060E-02 18 1.1086419E-05 -5.8953952E-06 -2.1710337E-06 19 7.8267365E-05 -4.1921553E-05 -1.5379602E-05 20 4.2676967E-04 -2.2827726E-04 -8.3956867E-05 21 1.8002403E-03 -9.6951691E-04 -3.5646720E-04 22 5.6997002E-03 -3.0915115E-03 -1.1396336E-03 23 1.3425125E-02 -7.4078920E-03 -2.7372457E-03 24 2.2989042E-02 -1.2880542E-02 -4.7794366E-03 25 2.7754796E-02 -1.5364917E-02 -5.6790364E-03 26 2.2434298E-02 -1.0604990E-02 -3.7652764E-03 27 1.0446826E-02 1.8270786E-03 1.4943001E-03 28 2.5109242E-03 1.1744056E-02 5.5395667E-03 29 2.3059080E-04 1.2805940E-02 6.1005864E-03 30 1.5652200E-05 6.1928851E-03 1.2987763E-03 31 -3.1502392E-07 1.0883371E-03 -4.4669978E-03 32 3.2536483E-07 4.0718891E-05 -5.5951414E-03 33 -8.7928465E-08 1.1895176E-06 -2.5476604E-03 34 1.8541049E-08 -3.4936682E-07 -3.6107694E-04 4F- -7.5059626E+00 ------------ 1 2.3344327E-04 2 1.4637499E-03 3 8.4164012E-03 4 3.3717807E-02 5 9.7185428E-02 6 2.0848031E-01 7 3.1353869E-01 8 3.3813914E-01 9 2.3010224E-01 10 7.6042440E-02 11 7.4034720E-03 12 7.0867266E-05 13 3.3663407E-04 14 1.3605628E-03 15 3.8922136E-03 16 8.1011732E-03 17 1.2690132E-02 18 1.3976200E-02 19 1.0965601E-02 20 5.3347532E-03 21 1.2252071E-03 22 7.9237509E-05 4F+ -7.2793839E+00 ------------ 1 -1.5956941E-04 2 -1.2293358E-03 3 -7.5611992E-03 4 -3.1626408E-02 5 -9.3578723E-02 6 -2.0346856E-01 7 -3.1034371E-01 8 -3.4081082E-01 9 -2.3632547E-01 10 -8.0454440E-02 11 -8.3446242E-03 12 -5.8905652E-05 13 -3.0116484E-04 14 -1.2604849E-03 15 -3.6980361E-03 16 -7.8494139E-03 17 -1.2427436E-02 18 -1.3860483E-02 19 -1.1065219E-02 20 -5.4847666E-03 21 -1.2979670E-03 22 -8.9992860E-05 ******************** ASTATINE SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.4995639590E+09 0.1000000000E+01 0.1000000000E+01 2 0.1214680951E+09 0.1000000000E+01 0.1000000000E+01 3 0.3304753792E+08 0.1000000000E+01 0.1000000000E+01 4 0.9987133025E+07 0.1000000000E+01 0.1000000000E+01 5 0.3328024118E+07 0.1000000000E+01 0.1000000000E+01 6 0.1213933985E+07 0.1000000000E+01 0.1000000000E+01 7 0.4811557931E+06 0.1000000000E+01 0.1000000000E+01 8 0.2057204576E+06 0.1000000000E+01 0.1000000000E+01 9 0.9418666659E+05 0.1000000000E+01 0.1000000000E+01 10 0.4583957940E+05 0.1000000000E+01 0.1000000000E+01 11 0.2354236793E+05 0.1000000000E+01 0.1000000000E+01 12 0.1266592909E+05 0.1000000000E+01 0.1000000000E+01 13 0.7086314477E+04 0.1000000000E+01 0.1000000000E+01 14 0.4092788668E+04 0.1000000000E+01 0.1000000000E+01 15 0.2422438822E+04 0.1000000000E+01 0.1000000000E+01 16 0.1458612675E+04 0.1000000000E+01 0.1000000000E+01 17 0.8869515277E+03 0.1000000000E+01 0.1000000000E+01 18 0.5406940564E+03 0.1000000000E+01 0.1000000000E+01 19 0.3280304661E+03 0.1000000000E+01 0.1000000000E+01 20 0.1966105019E+03 0.1000000000E+01 0.1000000000E+01 21 0.1155708367E+03 0.1000000000E+01 0.1000000000E+01 22 0.6613903999E+02 0.1000000000E+01 0.1000000000E+01 23 0.3658092387E+02 0.1000000000E+01 0.1000000000E+01 24 0.1941143647E+02 0.1000000000E+01 0.1000000000E+01 25 0.9810383217E+01 0.1000000000E+01 0.1000000000E+01 26 0.4687687271E+01 0.1000000000E+01 0.1000000000E+01 27 0.2102300145E+01 0.1000000000E+01 0.1000000000E+01 28 0.8784424397E+00 0.1000000000E+01 0.1000000000E+01 29 0.3394950668E+00 0.1000000000E+01 0.1000000000E+01 30 0.1204687114E+00 0.1000000000E+01 0.1000000000E+01 P- 1 0.1024562876E+09 0.1000000000E+01 0.1000000000E+01 2 0.2560347544E+08 0.1000000000E+01 0.1000000000E+01 3 0.7111669722E+07 0.1000000000E+01 0.1000000000E+01 4 0.2179141879E+07 0.1000000000E+01 0.1000000000E+01 5 0.7310879445E+06 0.1000000000E+01 0.1000000000E+01 6 0.2665341384E+06 0.1000000000E+01 0.1000000000E+01 7 0.1048006761E+06 0.1000000000E+01 0.1000000000E+01 8 0.4410951325E+05 0.1000000000E+01 0.1000000000E+01 9 0.1972360530E+05 0.1000000000E+01 0.1000000000E+01 10 0.9299403976E+04 0.1000000000E+01 0.1000000000E+01 11 0.4588467045E+04 0.1000000000E+01 0.1000000000E+01 12 0.2351541934E+04 0.1000000000E+01 0.1000000000E+01 13 0.1242336842E+04 0.1000000000E+01 0.1000000000E+01 14 0.6715161226E+03 0.1000000000E+01 0.1000000000E+01 15 0.3685809494E+03 0.1000000000E+01 0.1000000000E+01 16 0.2038907869E+03 0.1000000000E+01 0.1000000000E+01 17 0.1128182905E+03 0.1000000000E+01 0.1000000000E+01 18 0.6197371632E+02 0.1000000000E+01 0.1000000000E+01 19 0.3354367136E+02 0.1000000000E+01 0.1000000000E+01 20 0.1775487406E+02 0.1000000000E+01 0.1000000000E+01 21 0.9121315159E+01 0.1000000000E+01 0.1000000000E+01 22 0.4513974579E+01 0.1000000000E+01 0.1000000000E+01 23 0.2135755114E+01 0.1000000000E+01 0.1000000000E+01 24 0.9588781384E+00 0.1000000000E+01 0.1000000000E+01 25 0.4054374977E+00 0.1000000000E+01 0.1000000000E+01 26 0.1602366509E+00 0.1000000000E+01 0.1000000000E+01 27 0.5874977040E-01 0.1000000000E+01 0.1000000000E+01 P+ 1 0.1024562876E+09 0.1000000000E+01 0.1000000000E+01 2 0.2560347544E+08 0.1000000000E+01 0.1000000000E+01 3 0.7111669722E+07 0.1000000000E+01 0.1000000000E+01 4 0.2179141879E+07 0.1000000000E+01 0.1000000000E+01 5 0.7310879445E+06 0.1000000000E+01 0.1000000000E+01 6 0.2665341384E+06 0.1000000000E+01 0.1000000000E+01 7 0.1048006761E+06 0.1000000000E+01 0.1000000000E+01 8 0.4410951325E+05 0.1000000000E+01 0.1000000000E+01 9 0.1972360530E+05 0.1000000000E+01 0.1000000000E+01 10 0.9299403976E+04 0.1000000000E+01 0.1000000000E+01 11 0.4588467045E+04 0.1000000000E+01 0.1000000000E+01 12 0.2351541934E+04 0.1000000000E+01 0.1000000000E+01 13 0.1242336842E+04 0.1000000000E+01 0.1000000000E+01 14 0.6715161226E+03 0.1000000000E+01 0.1000000000E+01 15 0.3685809494E+03 0.1000000000E+01 0.1000000000E+01 16 0.2038907869E+03 0.1000000000E+01 0.1000000000E+01 17 0.1128182905E+03 0.1000000000E+01 0.1000000000E+01 18 0.6197371632E+02 0.1000000000E+01 0.1000000000E+01 19 0.3354367136E+02 0.1000000000E+01 0.1000000000E+01 20 0.1775487406E+02 0.1000000000E+01 0.1000000000E+01 21 0.9121315159E+01 0.1000000000E+01 0.1000000000E+01 22 0.4513974579E+01 0.1000000000E+01 0.1000000000E+01 23 0.2135755114E+01 0.1000000000E+01 0.1000000000E+01 24 0.9588781384E+00 0.1000000000E+01 0.1000000000E+01 25 0.4054374977E+00 0.1000000000E+01 0.1000000000E+01 26 0.1602366509E+00 0.1000000000E+01 0.1000000000E+01 27 0.5874977040E-01 0.1000000000E+01 0.1000000000E+01 D- 1 0.4736452685E+05 0.1000000000E+01 0.1000000000E+01 2 0.1360661431E+05 0.1000000000E+01 0.1000000000E+01 3 0.4527344172E+04 0.1000000000E+01 0.1000000000E+01 4 0.1714644286E+04 0.1000000000E+01 0.1000000000E+01 5 0.7264106021E+03 0.1000000000E+01 0.1000000000E+01 6 0.3383050242E+03 0.1000000000E+01 0.1000000000E+01 7 0.1702132563E+03 0.1000000000E+01 0.1000000000E+01 8 0.9092378277E+02 0.1000000000E+01 0.1000000000E+01 9 0.5067588213E+02 0.1000000000E+01 0.1000000000E+01 10 0.2896045419E+02 0.1000000000E+01 0.1000000000E+01 11 0.1667747020E+02 0.1000000000E+01 0.1000000000E+01 12 0.9510782598E+01 0.1000000000E+01 0.1000000000E+01 13 0.5278422335E+01 0.1000000000E+01 0.1000000000E+01 14 0.2801782000E+01 0.1000000000E+01 0.1000000000E+01 15 0.1397807586E+01 0.1000000000E+01 0.1000000000E+01 16 0.6441452608E+00 0.1000000000E+01 0.1000000000E+01 17 0.2694536884E+00 0.1000000000E+01 0.1000000000E+01 D+ 1 0.4736452685E+05 0.1000000000E+01 0.1000000000E+01 2 0.1360661431E+05 0.1000000000E+01 0.1000000000E+01 3 0.4527344172E+04 0.1000000000E+01 0.1000000000E+01 4 0.1714644286E+04 0.1000000000E+01 0.1000000000E+01 5 0.7264106021E+03 0.1000000000E+01 0.1000000000E+01 6 0.3383050242E+03 0.1000000000E+01 0.1000000000E+01 7 0.1702132563E+03 0.1000000000E+01 0.1000000000E+01 8 0.9092378277E+02 0.1000000000E+01 0.1000000000E+01 9 0.5067588213E+02 0.1000000000E+01 0.1000000000E+01 10 0.2896045419E+02 0.1000000000E+01 0.1000000000E+01 11 0.1667747020E+02 0.1000000000E+01 0.1000000000E+01 12 0.9510782598E+01 0.1000000000E+01 0.1000000000E+01 13 0.5278422335E+01 0.1000000000E+01 0.1000000000E+01 14 0.2801782000E+01 0.1000000000E+01 0.1000000000E+01 15 0.1397807586E+01 0.1000000000E+01 0.1000000000E+01 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-2.1849485E-08 -4.0621241E-07 2.9614988E-04 4F- -8.3360193E+00 ------------ 1 -2.6577514E-04 2 -1.5492075E-03 3 -8.6061389E-03 4 -3.3684662E-02 5 -9.6627960E-02 6 -2.0836841E-01 7 -3.1634887E-01 8 -3.4178435E-01 9 -2.2760262E-01 10 -7.0096017E-02 11 -5.5726146E-03 12 -7.9971085E-05 13 -3.5684473E-04 14 -1.4021523E-03 15 -3.9463788E-03 16 -8.2084197E-03 17 -1.2953794E-02 18 -1.4405691E-02 19 -1.1308702E-02 20 -5.3702237E-03 21 -1.1453631E-03 22 -6.0082763E-05 4F+ -8.0904436E+00 ------------ 1 -1.8215395E-04 2 -1.3021445E-03 3 -7.7152016E-03 4 -3.1553102E-02 5 -9.2952462E-02 6 -2.0326253E-01 7 -3.1311957E-01 8 -3.4467128E-01 9 -2.3405898E-01 10 -7.4404798E-02 11 -6.3333967E-03 12 -6.6460471E-05 13 -3.1901995E-04 14 -1.2972211E-03 15 -3.7455255E-03 16 -7.9478193E-03 17 -1.2681163E-02 18 -1.4287379E-02 19 -1.1418138E-02 20 -5.5287092E-03 21 -1.2175293E-03 22 -6.8999641E-05 GAUSSIAN NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -3.5420865E+03 -6.4785224E+02 -1.6083285E+02 -3.9397948E+01 -7.8182518E+00 -9.3828948E-01 ------------ ------------ ------------ ------------ ------------ ------------ 1 2.1645560E-06 8.6507418E-07 4.1828273E-07 -2.1307382E-07 9.9297702E-08 -3.7433268E-08 2 -8.8387136E-05 -3.5306840E-05 -1.7067911E-05 8.6915888E-06 -4.0425562E-06 1.5238836E-06 3 -4.1550831E-04 -1.6639518E-04 -8.0469056E-05 4.0978788E-05 -1.9050785E-05 7.1813374E-06 4 -9.1935008E-04 -3.6979351E-04 -1.7897006E-04 9.1163704E-05 -4.2403992E-05 1.5984863E-05 5 -1.9130095E-03 -7.7405066E-04 -3.7496896E-04 1.9102767E-04 -8.8800806E-05 3.3474719E-05 6 -3.5830826E-03 -1.4624979E-03 -7.0953399E-04 3.6165594E-04 -1.6830378E-04 6.3447363E-05 7 -6.5871362E-03 -2.7175918E-03 -1.3205995E-03 6.7323904E-04 -3.1282836E-04 1.1792801E-04 8 -1.1560262E-02 -4.8341281E-03 -2.3547323E-03 1.2016037E-03 -5.5995858E-04 2.1111094E-04 9 -1.9991346E-02 -8.4883894E-03 -4.1436910E-03 2.1142140E-03 -9.8069501E-04 3.6969878E-04 10 -3.3311396E-02 -1.4409014E-02 -7.0597194E-03 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7 -3.1311947E-01 8 -3.4467130E-01 9 -2.3405918E-01 10 -7.4404951E-02 11 -6.3334297E-03 12 -6.6460403E-05 13 -3.1901953E-04 14 -1.2972197E-03 15 -3.7455218E-03 16 -7.9478125E-03 17 -1.2681156E-02 18 -1.4287375E-02 19 -1.1418138E-02 20 -5.5287139E-03 21 -1.2175318E-03 22 -6.9000000E-05 ******************** RADON SYMMETRY BASIS EXPONENT PARAM LARGE-COMP COEFF SMALL-COMP COEFF S+ 1 0.5121919362E+09 0.1000000000E+01 0.1000000000E+01 2 0.1252581112E+09 0.1000000000E+01 0.1000000000E+01 3 0.3426720124E+08 0.1000000000E+01 0.1000000000E+01 4 0.1041051307E+08 0.1000000000E+01 0.1000000000E+01 5 0.3486642512E+07 0.1000000000E+01 0.1000000000E+01 6 0.1277925584E+07 0.1000000000E+01 0.1000000000E+01 7 0.5088474838E+06 0.1000000000E+01 0.1000000000E+01 8 0.2185116961E+06 0.1000000000E+01 0.1000000000E+01 9 0.1004587574E+06 0.1000000000E+01 0.1000000000E+01 10 0.4908491459E+05 0.1000000000E+01 0.1000000000E+01 11 0.2530325945E+05 0.1000000000E+01 0.1000000000E+01 12 0.1366136692E+05 0.1000000000E+01 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0.1000000000E+01 6 0.3331601106E+02 0.1000000000E+01 0.1000000000E+01 7 0.1774874793E+02 0.1000000000E+01 0.1000000000E+01 8 0.9316467477E+01 0.1000000000E+01 0.1000000000E+01 9 0.4714879160E+01 0.1000000000E+01 0.1000000000E+01 10 0.2251088251E+01 0.1000000000E+01 0.1000000000E+01 11 0.9921653440E+00 0.1000000000E+01 0.1000000000E+01 F+ 1 0.1329749051E+04 0.1000000000E+01 0.1000000000E+01 2 0.5507367179E+03 0.1000000000E+01 0.1000000000E+01 3 0.2505258923E+03 0.1000000000E+01 0.1000000000E+01 4 0.1224792061E+03 0.1000000000E+01 0.1000000000E+01 5 0.6297094106E+02 0.1000000000E+01 0.1000000000E+01 6 0.3331601106E+02 0.1000000000E+01 0.1000000000E+01 7 0.1774874793E+02 0.1000000000E+01 0.1000000000E+01 8 0.9316467477E+01 0.1000000000E+01 0.1000000000E+01 9 0.4714879160E+01 0.1000000000E+01 0.1000000000E+01 10 0.2251088251E+01 0.1000000000E+01 0.1000000000E+01 11 0.9921653440E+00 0.1000000000E+01 0.1000000000E+01 S+ P- P+ D- D+ F- F+ NUMBER OF CLOSED SHELLS 6 5 5 3 3 1 1 OPEN SHELLS 0 0 0 0 0 0 0 NUMBER OF OPEN SHELL CONFG 0 UNIFORM SPHERE NUCLEUS MODEL SPINOR ENERGIES AND C-VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -3.6411576E+03 -6.6880568E+02 -1.6683223E+02 -4.1313742E+01 -8.4092698E+00 -1.0715880E+00 ------------ ------------ ------------ ------------ ------------ ------------ 1 -7.7572767E-06 3.1134731E-06 -1.5072143E-06 7.6991496E-07 3.6201739E-07 1.4003477E-07 2 7.0857895E-05 -2.8438963E-05 1.3767066E-05 -7.0319851E-06 -3.3059177E-06 -1.2788009E-06 3 4.3779347E-04 -1.7616478E-04 8.5316430E-05 -4.3575266E-05 -2.0478036E-05 -7.9215959E-06 4 9.2383271E-04 -3.7345332E-04 1.8100209E-04 -9.2478156E-05 -4.3477423E-05 -1.6818341E-05 5 1.9625717E-03 -7.9788778E-04 3.8707658E-04 -1.9777079E-04 -9.2938894E-05 -3.5953039E-05 6 3.5977953E-03 -1.4757545E-03 7.1698284E-04 -3.6658049E-04 -1.7241291E-04 -6.6695514E-05 7 6.6228555E-03 -2.7450504E-03 1.3359206E-03 -6.8296754E-04 -3.2086440E-04 -1.2413394E-04 8 1.1434821E-02 -4.8049625E-03 2.3436932E-03 -1.1998866E-03 -5.6495826E-04 -2.1854651E-04 9 1.9700599E-02 -8.4028120E-03 4.1084760E-03 -2.1014534E-03 -9.8607030E-04 -3.8154415E-04 10 3.2381081E-02 -1.4071855E-02 6.9021583E-03 -3.5426127E-03 -1.6731314E-03 -6.4717029E-04 11 5.2415057E-02 -2.3272926E-02 1.1455982E-02 -5.8577025E-03 -2.7367602E-03 -1.0593519E-03 12 8.0249404E-02 -3.6708935E-02 1.8169166E-02 -9.3783272E-03 -4.4669940E-03 -1.7272302E-03 13 1.1791818E-01 -5.6108905E-02 2.7962964E-02 -1.4262905E-02 -6.5802550E-03 -2.5496353E-03 14 1.5857041E-01 -8.0030710E-02 4.0359867E-02 -2.1115231E-02 -1.0273684E-02 -3.9688232E-03 15 1.9318967E-01 -1.0533646E-01 5.3875207E-02 -2.7266455E-02 -1.2155807E-02 -4.7220850E-03 16 1.9651188E-01 -1.1707646E-01 6.1133353E-02 -3.3078478E-02 -1.7028387E-02 -6.5622194E-03 17 1.5574212E-01 -8.8766848E-02 4.5400903E-02 -2.1240156E-02 -7.4645146E-03 -2.9440337E-03 18 7.9204586E-02 2.0304504E-02 -2.2297486E-02 9.6452585E-03 5.3113666E-04 3.0788984E-04 19 2.0619443E-02 2.2635825E-01 -1.8379851E-01 1.1252981E-01 6.1181459E-02 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