Dy [Xe]6s(2)4f(10) 26s23/20p16/16d13/13f Nucleus Model : Uniformly Charged Sphere Nuclear Charge = 66.0 Atomic Mass = 162.0 Nuclear Radius = 1.250879E-04 Speed of Light = 137.0359895 S+ P- P+ D- D+ F- F+ Number of Closed Shells 6 4 4 2 2 0 0 Open Shells 0 0 0 0 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.06993007 0.0 0.0 0.0 0.0 0.0 6.0 4.0 2 0.33566434 0.0 0.0 0.0 0.0 0.0 5.0 5.0 3 0.41958042 0.0 0.0 0.0 0.0 0.0 4.0 6.0 4 0.15984016 0.0 0.0 0.0 0.0 0.0 3.0 7.0 5 0.01498501 0.0 0.0 0.0 0.0 0.0 2.0 8.0 ENERGIES Total Energy = -1.216153771051004E+04 Mass Energy = -1.215970934288590E+04 Kinetic Energy = 2.549612994743124E+04 Potential Energy = -2.549795831505538E+04 VIRIAL -[+(CORR )]/ = 1.00000002449543 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ F- F+ 4.7269577353E+07 o 1.0966017331E+07 o o 3.2010153099E+06 o o 1.0150167736E+06 o o 3.4734106400E+05 o o o 1.2592470376E+05 o o o 4.8216628898E+04 o o o 1.9394556322E+04 o o o o o 8.1576692504E+03 o o o o o 3.5738003775E+03 o o o o o 1.6255166362E+03 o o o o o 7.6568890702E+02 o o o o o o o 3.7164004857E+02 o o o o o o o 1.8582997844E+02 o o o o o o o 9.5527302231E+01 o o o o o o o 4.9803271527E+01 o o o o o o o 2.6400817156E+01 o o o o o o o 1.4178489512E+01 o o o o o o o 7.4775897088E+00 o o o o o o o 3.8464582914E+00 o o o o o o o 1.9198489958E+00 o o o o o o o 9.1003732003E-01 o o o o o o o 4.0773802149E-01 o o o o o o o 1.6634291126E-01 o o o o o 6.2733068016E-02 o 2.4693242591E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.7269577353E+07 1.0000000000E+00 1.0000000000E+00 2 1.0966017331E+07 1.0000000000E+00 1.0000000000E+00 3 3.2010153099E+06 1.0000000000E+00 1.0000000000E+00 4 1.0150167736E+06 1.0000000000E+00 1.0000000000E+00 5 3.4734106400E+05 1.0000000000E+00 1.0000000000E+00 6 1.2592470376E+05 1.0000000000E+00 1.0000000000E+00 7 4.8216628898E+04 1.0000000000E+00 1.0000000000E+00 8 1.9394556322E+04 1.0000000000E+00 1.0000000000E+00 9 8.1576692504E+03 1.0000000000E+00 1.0000000000E+00 10 3.5738003775E+03 1.0000000000E+00 1.0000000000E+00 11 1.6255166362E+03 1.0000000000E+00 1.0000000000E+00 12 7.6568890702E+02 1.0000000000E+00 1.0000000000E+00 13 3.7164004857E+02 1.0000000000E+00 1.0000000000E+00 14 1.8582997844E+02 1.0000000000E+00 1.0000000000E+00 15 9.5527302231E+01 1.0000000000E+00 1.0000000000E+00 16 4.9803271527E+01 1.0000000000E+00 1.0000000000E+00 17 2.6400817156E+01 1.0000000000E+00 1.0000000000E+00 18 1.4178489512E+01 1.0000000000E+00 1.0000000000E+00 19 7.4775897088E+00 1.0000000000E+00 1.0000000000E+00 20 3.8464582914E+00 1.0000000000E+00 1.0000000000E+00 21 1.9198489958E+00 1.0000000000E+00 1.0000000000E+00 22 9.1003732003E-01 1.0000000000E+00 1.0000000000E+00 23 4.0773802149E-01 1.0000000000E+00 1.0000000000E+00 24 1.6634291126E-01 1.0000000000E+00 1.0000000000E+00 25 6.2733068016E-02 1.0000000000E+00 1.0000000000E+00 26 2.4693242591E-02 1.0000000000E+00 1.0000000000E+00 P- 1 1.0966017331E+07 1.0000000000E+00 1.0000000000E+00 2 3.2010153099E+06 1.0000000000E+00 1.0000000000E+00 3 1.0150167736E+06 1.0000000000E+00 1.0000000000E+00 4 3.4734106400E+05 1.0000000000E+00 1.0000000000E+00 5 1.2592470376E+05 1.0000000000E+00 1.0000000000E+00 6 4.8216628898E+04 1.0000000000E+00 1.0000000000E+00 7 1.9394556322E+04 1.0000000000E+00 1.0000000000E+00 8 8.1576692504E+03 1.0000000000E+00 1.0000000000E+00 9 3.5738003775E+03 1.0000000000E+00 1.0000000000E+00 10 1.6255166362E+03 1.0000000000E+00 1.0000000000E+00 11 7.6568890702E+02 1.0000000000E+00 1.0000000000E+00 12 3.7164004857E+02 1.0000000000E+00 1.0000000000E+00 13 1.8582997844E+02 1.0000000000E+00 1.0000000000E+00 14 9.5527302231E+01 1.0000000000E+00 1.0000000000E+00 15 4.9803271527E+01 1.0000000000E+00 1.0000000000E+00 16 2.6400817156E+01 1.0000000000E+00 1.0000000000E+00 17 1.4178489512E+01 1.0000000000E+00 1.0000000000E+00 18 7.4775897088E+00 1.0000000000E+00 1.0000000000E+00 19 3.8464582914E+00 1.0000000000E+00 1.0000000000E+00 20 1.9198489958E+00 1.0000000000E+00 1.0000000000E+00 21 9.1003732003E-01 1.0000000000E+00 1.0000000000E+00 22 4.0773802149E-01 1.0000000000E+00 1.0000000000E+00 23 1.6634291126E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 3.4734106400E+05 1.0000000000E+00 1.0000000000E+00 2 1.2592470376E+05 1.0000000000E+00 1.0000000000E+00 3 4.8216628898E+04 1.0000000000E+00 1.0000000000E+00 4 1.9394556322E+04 1.0000000000E+00 1.0000000000E+00 5 8.1576692504E+03 1.0000000000E+00 1.0000000000E+00 6 3.5738003775E+03 1.0000000000E+00 1.0000000000E+00 7 1.6255166362E+03 1.0000000000E+00 1.0000000000E+00 8 7.6568890702E+02 1.0000000000E+00 1.0000000000E+00 9 3.7164004857E+02 1.0000000000E+00 1.0000000000E+00 10 1.8582997844E+02 1.0000000000E+00 1.0000000000E+00 11 9.5527302231E+01 1.0000000000E+00 1.0000000000E+00 12 4.9803271527E+01 1.0000000000E+00 1.0000000000E+00 13 2.6400817156E+01 1.0000000000E+00 1.0000000000E+00 14 1.4178489512E+01 1.0000000000E+00 1.0000000000E+00 15 7.4775897088E+00 1.0000000000E+00 1.0000000000E+00 16 3.8464582914E+00 1.0000000000E+00 1.0000000000E+00 17 1.9198489958E+00 1.0000000000E+00 1.0000000000E+00 18 9.1003732003E-01 1.0000000000E+00 1.0000000000E+00 19 4.0773802149E-01 1.0000000000E+00 1.0000000000E+00 20 1.6634291126E-01 1.0000000000E+00 1.0000000000E+00 D- 1 1.9394556322E+04 1.0000000000E+00 1.0000000000E+00 2 8.1576692504E+03 1.0000000000E+00 1.0000000000E+00 3 3.5738003775E+03 1.0000000000E+00 1.0000000000E+00 4 1.6255166362E+03 1.0000000000E+00 1.0000000000E+00 5 7.6568890702E+02 1.0000000000E+00 1.0000000000E+00 6 3.7164004857E+02 1.0000000000E+00 1.0000000000E+00 7 1.8582997844E+02 1.0000000000E+00 1.0000000000E+00 8 9.5527302231E+01 1.0000000000E+00 1.0000000000E+00 9 4.9803271527E+01 1.0000000000E+00 1.0000000000E+00 10 2.6400817156E+01 1.0000000000E+00 1.0000000000E+00 11 1.4178489512E+01 1.0000000000E+00 1.0000000000E+00 12 7.4775897088E+00 1.0000000000E+00 1.0000000000E+00 13 3.8464582914E+00 1.0000000000E+00 1.0000000000E+00 14 1.9198489958E+00 1.0000000000E+00 1.0000000000E+00 15 9.1003732003E-01 1.0000000000E+00 1.0000000000E+00 16 4.0773802149E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 1.9394556322E+04 1.0000000000E+00 1.0000000000E+00 2 8.1576692504E+03 1.0000000000E+00 1.0000000000E+00 3 3.5738003775E+03 1.0000000000E+00 1.0000000000E+00 4 1.6255166362E+03 1.0000000000E+00 1.0000000000E+00 5 7.6568890702E+02 1.0000000000E+00 1.0000000000E+00 6 3.7164004857E+02 1.0000000000E+00 1.0000000000E+00 7 1.8582997844E+02 1.0000000000E+00 1.0000000000E+00 8 9.5527302231E+01 1.0000000000E+00 1.0000000000E+00 9 4.9803271527E+01 1.0000000000E+00 1.0000000000E+00 10 2.6400817156E+01 1.0000000000E+00 1.0000000000E+00 11 1.4178489512E+01 1.0000000000E+00 1.0000000000E+00 12 7.4775897088E+00 1.0000000000E+00 1.0000000000E+00 13 3.8464582914E+00 1.0000000000E+00 1.0000000000E+00 14 1.9198489958E+00 1.0000000000E+00 1.0000000000E+00 15 9.1003732003E-01 1.0000000000E+00 1.0000000000E+00 16 4.0773802149E-01 1.0000000000E+00 1.0000000000E+00 F- 1 7.6568890702E+02 1.0000000000E+00 1.0000000000E+00 2 3.7164004857E+02 1.0000000000E+00 1.0000000000E+00 3 1.8582997844E+02 1.0000000000E+00 1.0000000000E+00 4 9.5527302231E+01 1.0000000000E+00 1.0000000000E+00 5 4.9803271527E+01 1.0000000000E+00 1.0000000000E+00 6 2.6400817156E+01 1.0000000000E+00 1.0000000000E+00 7 1.4178489512E+01 1.0000000000E+00 1.0000000000E+00 8 7.4775897088E+00 1.0000000000E+00 1.0000000000E+00 9 3.8464582914E+00 1.0000000000E+00 1.0000000000E+00 10 1.9198489958E+00 1.0000000000E+00 1.0000000000E+00 11 9.1003732003E-01 1.0000000000E+00 1.0000000000E+00 12 4.0773802149E-01 1.0000000000E+00 1.0000000000E+00 13 1.6634291126E-01 1.0000000000E+00 1.0000000000E+00 F+ 1 7.6568890702E+02 1.0000000000E+00 1.0000000000E+00 2 3.7164004857E+02 1.0000000000E+00 1.0000000000E+00 3 1.8582997844E+02 1.0000000000E+00 1.0000000000E+00 4 9.5527302231E+01 1.0000000000E+00 1.0000000000E+00 5 4.9803271527E+01 1.0000000000E+00 1.0000000000E+00 6 2.6400817156E+01 1.0000000000E+00 1.0000000000E+00 7 1.4178489512E+01 1.0000000000E+00 1.0000000000E+00 8 7.4775897088E+00 1.0000000000E+00 1.0000000000E+00 9 3.8464582914E+00 1.0000000000E+00 1.0000000000E+00 10 1.9198489958E+00 1.0000000000E+00 1.0000000000E+00 11 9.1003732003E-01 1.0000000000E+00 1.0000000000E+00 12 4.0773802149E-01 1.0000000000E+00 1.0000000000E+00 13 1.6634291126E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ 6S+ -1.9884832E+03 -3.3559042E+02 -7.6627389E+01 -1.6073184E+01 -2.2019367E+00 -1.8761728E-01 ------------ ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.1960364E-04 -4.3846039E-05 2.0461272E-05 -9.8592197E-06 3.8059060E-06 -9.4640919E-07 2 2.9554269E-04 -1.0874725E-04 5.0774539E-05 -2.4465980E-05 9.4437019E-06 -2.3479648E-06 3 7.1684888E-04 -2.6495625E-04 1.2380470E-04 -5.9675866E-05 2.3039153E-05 -5.7296434E-06 4 1.6299988E-03 -6.0673693E-04 2.8378107E-04 -1.3678765E-04 5.2800358E-05 -1.3126465E-05 5 3.7374512E-03 -1.4036403E-03 6.5750305E-04 -3.1713555E-04 1.2246356E-04 -3.0460399E-05 6 8.5793321E-03 -3.2587807E-03 1.5288038E-03 -7.3733725E-04 2.8462292E-04 -7.0746907E-05 7 1.9723891E-02 -7.6005654E-03 3.5746945E-03 -1.7260603E-03 6.6677167E-04 -1.6589189E-04 8 4.4648450E-02 -1.7568296E-02 8.2866654E-03 -4.0008361E-03 1.5444872E-03 -3.8379372E-04 9 9.6380570E-02 -3.9322026E-02 1.8667176E-02 -9.0354252E-03 3.4929856E-03 -8.6946919E-04 10 1.8697931E-01 -8.1753406E-02 3.9230960E-02 -1.9009484E-02 7.3420126E-03 -1.8235184E-03 11 2.9335263E-01 -1.4661250E-01 7.2089769E-02 -3.5206118E-02 1.3644854E-02 -3.4009266E-03 12 3.0738938E-01 -1.9006645E-01 9.7086167E-02 -4.7654185E-02 1.8431501E-02 -4.5668440E-03 13 1.5493976E-01 -7.4752548E-02 3.7385626E-02 -1.8706772E-02 7.3886888E-03 -1.8886248E-03 14 2.0142654E-02 3.0226348E-01 -2.2631462E-01 1.2284251E-01 -4.8966996E-02 1.2342925E-02 15 1.5919114E-03 5.5436047E-01 -5.4961481E-01 3.1479230E-01 -1.2559083E-01 3.1082267E-02 16 -9.9070404E-04 2.8160759E-01 -3.0145120E-01 1.9658290E-01 -8.3598667E-02 2.1674308E-02 17 7.3733881E-04 2.8597308E-02 6.0242302E-01 -5.5362395E-01 2.5283933E-01 -6.5575353E-02 18 -5.7487095E-04 2.6216192E-03 6.8435327E-01 -9.0541749E-01 4.2975858E-01 -1.0715849E-01 19 3.6275463E-04 -1.2615321E-03 1.3149454E-01 2.4166466E-01 -1.5402743E-01 3.5837285E-02 20 -2.0311491E-04 5.0056518E-04 7.9081247E-03 9.5389738E-01 -7.4958703E-01 2.1386847E-01 21 1.0838568E-04 -3.2173931E-04 -8.7439081E-04 3.1444792E-01 -3.8322099E-01 1.0035676E-01 22 -5.2218066E-05 1.5619202E-04 6.9293677E-04 3.5201024E-03 6.7662264E-01 -2.0926287E-01 23 2.3048554E-05 -6.4429391E-05 -4.0732047E-04 4.0914679E-03 7.0505382E-01 -4.0324472E-01 24 -9.5487598E-06 2.7712664E-05 1.5649986E-04 -1.2396609E-03 7.2607124E-02 -9.8268093E-02 25 3.7757281E-06 -1.0899079E-05 -6.4246485E-05 5.0896265E-04 -2.1790845E-03 6.9826083E-01 26 -1.0870798E-06 3.1390152E-06 1.8633233E-05 -1.4663535E-04 2.6314616E-04 5.1693969E-01 *** Small-Component *** 27 1.7903402E-04 -6.5464123E-05 3.0539818E-05 -1.4716675E-05 5.6818106E-06 -1.4132291E-06 28 5.9709489E-04 -2.1835786E-04 1.0184760E-04 -4.9057117E-05 1.8931849E-05 -4.7058458E-06 29 1.3173814E-03 -4.8203653E-04 2.2490876E-04 -1.0839142E-04 4.1851146E-05 -1.0410777E-05 30 2.7802857E-03 -1.0181300E-03 4.7496220E-04 -2.2876511E-04 8.8276502E-05 -2.1939631E-05 31 5.4631697E-03 -2.0041511E-03 9.3552368E-04 -4.5094591E-04 1.7413420E-04 -4.3322970E-05 32 1.0310668E-02 -3.7954854E-03 1.7720256E-03 -8.5357238E-04 3.2935981E-04 -8.1844745E-05 33 1.8461637E-02 -6.8473327E-03 3.2022379E-03 -1.5444046E-03 5.9650602E-04 -1.4843461E-04 34 3.1289372E-02 -1.1789717E-02 5.5251684E-03 -2.6633664E-03 1.0277232E-03 -2.5532877E-04 35 4.9009382E-02 -1.9098879E-02 9.0068301E-03 -4.3533056E-03 1.6825119E-03 -4.1884380E-04 36 6.7703979E-02 -2.8268758E-02 1.3477129E-02 -6.5203662E-03 2.5173778E-03 -6.2514952E-04 37 7.4938560E-02 -3.5831358E-02 1.7515916E-02 -8.5432636E-03 3.3103000E-03 -8.2510233E-04 38 5.5331916E-02 -3.2890491E-02 1.6730701E-02 -8.2046808E-03 3.1727085E-03 -7.8607898E-04 39 1.9696353E-02 -9.4474098E-03 4.7821839E-03 -2.3976117E-03 9.4664158E-04 -2.4163194E-04 40 1.8235758E-03 2.5805673E-02 -1.9164217E-02 1.0385600E-02 -4.1388007E-03 1.0433650E-03 41 1.0148798E-04 3.4357567E-02 -3.3847844E-02 1.9365425E-02 -7.7242884E-03 1.9115868E-03 42 -4.5548499E-05 1.2643621E-02 -1.3510059E-02 8.8111027E-03 -3.7463489E-03 9.7110060E-04 43 2.4580168E-05 9.3699653E-04 1.9538693E-02 -1.7925889E-02 8.1841315E-03 -2.1226163E-03 44 -1.3926400E-05 6.2006080E-05 1.6309129E-02 -2.1550109E-02 1.0227683E-02 -2.5502414E-03 45 6.3143146E-06 -2.1485579E-05 2.2755996E-03 4.1693189E-03 -2.6561349E-03 6.1780883E-04 46 -2.4910423E-06 5.9890701E-06 9.8633363E-05 1.1825274E-02 -9.2896501E-03 2.6503814E-03 47 9.1479195E-07 -2.6970043E-06 -7.9187436E-06 2.7545748E-03 -3.3562172E-03 8.7895516E-04 48 -2.9075304E-07 8.8070350E-07 4.3008960E-06 2.1182964E-05 4.0791277E-03 -1.2615196E-03 49 7.9669075E-08 -2.3149439E-07 -1.6977427E-06 1.6535087E-05 2.8452757E-03 -1.6272469E-03 50 -1.8221545E-08 5.9131218E-08 4.2548990E-07 -3.2041270E-06 1.8715631E-04 -2.5329319E-04 51 3.1004806E-09 -1.2058241E-08 -1.1069261E-07 8.0904509E-07 -3.4503867E-06 1.1052534E-03 52 -1.1478584E-10 1.4363331E-09 2.1349872E-08 -1.4666574E-07 2.6164844E-07 5.1336481E-04 2P- 3P- 4P- 5P- -3.1837898E+02 -6.9124156E+01 -1.3052763E+01 -1.2926401E+00 ------------ ------------ ------------ ------------ *** Large-Component *** 1 6.3061057E-05 -3.0990902E-05 -1.4697925E-05 5.1389827E-06 2 8.8539351E-05 -4.3516551E-05 -2.0637577E-05 7.2152245E-06 3 2.4220891E-04 -1.1906397E-04 -5.6473296E-05 1.9746350E-05 4 4.4628374E-04 -2.1946400E-04 -1.0408677E-04 3.6388933E-05 5 9.5095093E-04 -4.6803235E-04 -2.2207504E-04 7.7663669E-05 6 1.8847066E-03 -9.2910945E-04 -4.4082660E-04 1.5410234E-04 7 4.0407863E-03 -1.9987263E-03 -9.4963913E-04 3.3226814E-04 8 9.0568241E-03 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