Sr [Kr]5s(2) 24s21/18p11/11d Nucleus Model : Gaussian Charge Distribution Nuclear Charge = 38.0 Atomic Mass = 88.0 Parameter Alpha = 2.283935E+08 Speed of Light = 137.0359895 S+ P- P+ D- D+ Number of Closed Shells 5 3 3 1 1 Open Shells 0 0 0 0 0 ENERGIES Total Energy = -3.178079564145070E+03 Mass Energy = -3.178017492760582E+03 Kinetic Energy = 6.452752548363180E+03 Potential Energy = -6.452814619747668E+03 SINGLE-FAMILY EXPONENT BASIS SET Exponent S+ P- P+ D- D+ 4.6762373897E+07 o 7.8657602703E+06 o o 1.7780191808E+06 o o 4.7597414881E+05 o o 1.4479310737E+05 o o o 4.8661320402E+04 o o o 1.7741131914E+04 o o o 6.9146831598E+03 o o o 2.8461323753E+03 o o o 1.2248492658E+03 o o o o o 5.4760859923E+02 o o o o o 2.5351181033E+02 o o o o o 1.2070970265E+02 o o o o o 5.8867402061E+01 o o o o o 2.9417565102E+01 o o o o o 1.4837199775E+01 o o o o o 7.4191745702E+00 o o o o o 3.6951369300E+00 o o o o o 1.8161976985E+00 o o o o o 8.2347912941E-01 o o o o o 3.6863755925E-01 o o o 1.5235755484E-01 o o o 5.8409928409E-02 o 2.3292150802E-02 o NORMALIZED BASIS SPINORS Symmetry Exponent Param Coefficients Species Large-Component Small-Component S+ 1 4.6762373897E+07 1.0000000000E+00 1.0000000000E+00 2 7.8657602703E+06 1.0000000000E+00 1.0000000000E+00 3 1.7780191808E+06 1.0000000000E+00 1.0000000000E+00 4 4.7597414881E+05 1.0000000000E+00 1.0000000000E+00 5 1.4479310737E+05 1.0000000000E+00 1.0000000000E+00 6 4.8661320402E+04 1.0000000000E+00 1.0000000000E+00 7 1.7741131914E+04 1.0000000000E+00 1.0000000000E+00 8 6.9146831598E+03 1.0000000000E+00 1.0000000000E+00 9 2.8461323753E+03 1.0000000000E+00 1.0000000000E+00 10 1.2248492658E+03 1.0000000000E+00 1.0000000000E+00 11 5.4760859923E+02 1.0000000000E+00 1.0000000000E+00 12 2.5351181033E+02 1.0000000000E+00 1.0000000000E+00 13 1.2070970265E+02 1.0000000000E+00 1.0000000000E+00 14 5.8867402061E+01 1.0000000000E+00 1.0000000000E+00 15 2.9417565102E+01 1.0000000000E+00 1.0000000000E+00 16 1.4837199775E+01 1.0000000000E+00 1.0000000000E+00 17 7.4191745702E+00 1.0000000000E+00 1.0000000000E+00 18 3.6951369300E+00 1.0000000000E+00 1.0000000000E+00 19 1.8161976985E+00 1.0000000000E+00 1.0000000000E+00 20 8.2347912941E-01 1.0000000000E+00 1.0000000000E+00 21 3.6863755925E-01 1.0000000000E+00 1.0000000000E+00 22 1.5235755484E-01 1.0000000000E+00 1.0000000000E+00 23 5.8409928409E-02 1.0000000000E+00 1.0000000000E+00 24 2.3292150802E-02 1.0000000000E+00 1.0000000000E+00 P- 1 7.8657602703E+06 1.0000000000E+00 1.0000000000E+00 2 1.7780191808E+06 1.0000000000E+00 1.0000000000E+00 3 4.7597414881E+05 1.0000000000E+00 1.0000000000E+00 4 1.4479310737E+05 1.0000000000E+00 1.0000000000E+00 5 4.8661320402E+04 1.0000000000E+00 1.0000000000E+00 6 1.7741131914E+04 1.0000000000E+00 1.0000000000E+00 7 6.9146831598E+03 1.0000000000E+00 1.0000000000E+00 8 2.8461323753E+03 1.0000000000E+00 1.0000000000E+00 9 1.2248492658E+03 1.0000000000E+00 1.0000000000E+00 10 5.4760859923E+02 1.0000000000E+00 1.0000000000E+00 11 2.5351181033E+02 1.0000000000E+00 1.0000000000E+00 12 1.2070970265E+02 1.0000000000E+00 1.0000000000E+00 13 5.8867402061E+01 1.0000000000E+00 1.0000000000E+00 14 2.9417565102E+01 1.0000000000E+00 1.0000000000E+00 15 1.4837199775E+01 1.0000000000E+00 1.0000000000E+00 16 7.4191745702E+00 1.0000000000E+00 1.0000000000E+00 17 3.6951369300E+00 1.0000000000E+00 1.0000000000E+00 18 1.8161976985E+00 1.0000000000E+00 1.0000000000E+00 19 8.2347912941E-01 1.0000000000E+00 1.0000000000E+00 20 3.6863755925E-01 1.0000000000E+00 1.0000000000E+00 21 1.5235755484E-01 1.0000000000E+00 1.0000000000E+00 P+ 1 1.4479310737E+05 1.0000000000E+00 1.0000000000E+00 2 4.8661320402E+04 1.0000000000E+00 1.0000000000E+00 3 1.7741131914E+04 1.0000000000E+00 1.0000000000E+00 4 6.9146831598E+03 1.0000000000E+00 1.0000000000E+00 5 2.8461323753E+03 1.0000000000E+00 1.0000000000E+00 6 1.2248492658E+03 1.0000000000E+00 1.0000000000E+00 7 5.4760859923E+02 1.0000000000E+00 1.0000000000E+00 8 2.5351181033E+02 1.0000000000E+00 1.0000000000E+00 9 1.2070970265E+02 1.0000000000E+00 1.0000000000E+00 10 5.8867402061E+01 1.0000000000E+00 1.0000000000E+00 11 2.9417565102E+01 1.0000000000E+00 1.0000000000E+00 12 1.4837199775E+01 1.0000000000E+00 1.0000000000E+00 13 7.4191745702E+00 1.0000000000E+00 1.0000000000E+00 14 3.6951369300E+00 1.0000000000E+00 1.0000000000E+00 15 1.8161976985E+00 1.0000000000E+00 1.0000000000E+00 16 8.2347912941E-01 1.0000000000E+00 1.0000000000E+00 17 3.6863755925E-01 1.0000000000E+00 1.0000000000E+00 18 1.5235755484E-01 1.0000000000E+00 1.0000000000E+00 D- 1 1.2248492658E+03 1.0000000000E+00 1.0000000000E+00 2 5.4760859923E+02 1.0000000000E+00 1.0000000000E+00 3 2.5351181033E+02 1.0000000000E+00 1.0000000000E+00 4 1.2070970265E+02 1.0000000000E+00 1.0000000000E+00 5 5.8867402061E+01 1.0000000000E+00 1.0000000000E+00 6 2.9417565102E+01 1.0000000000E+00 1.0000000000E+00 7 1.4837199775E+01 1.0000000000E+00 1.0000000000E+00 8 7.4191745702E+00 1.0000000000E+00 1.0000000000E+00 9 3.6951369300E+00 1.0000000000E+00 1.0000000000E+00 10 1.8161976985E+00 1.0000000000E+00 1.0000000000E+00 11 8.2347912941E-01 1.0000000000E+00 1.0000000000E+00 D+ 1 1.2248492658E+03 1.0000000000E+00 1.0000000000E+00 2 5.4760859923E+02 1.0000000000E+00 1.0000000000E+00 3 2.5351181033E+02 1.0000000000E+00 1.0000000000E+00 4 1.2070970265E+02 1.0000000000E+00 1.0000000000E+00 5 5.8867402061E+01 1.0000000000E+00 1.0000000000E+00 6 2.9417565102E+01 1.0000000000E+00 1.0000000000E+00 7 1.4837199775E+01 1.0000000000E+00 1.0000000000E+00 8 7.4191745702E+00 1.0000000000E+00 1.0000000000E+00 9 3.6951369300E+00 1.0000000000E+00 1.0000000000E+00 10 1.8161976985E+00 1.0000000000E+00 1.0000000000E+00 11 8.2347912941E-01 1.0000000000E+00 1.0000000000E+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ 4S+ 5S+ -5.9562371E+02 -8.3144801E+01 -1.3959422E+01 -1.9488081E+00 -1.8121498E-01 ------------ ------------ ------------ ------------ ------------ *** Large-Component *** 1 1.5195158E-05 -4.9750017E-06 -2.0397906E-06 7.2547734E-07 1.8801994E-07 2 5.3409219E-05 -1.7524053E-05 -7.1872234E-06 2.5567246E-06 6.6283937E-07 3 1.6622533E-04 -5.4702577E-05 -2.2443290E-05 7.9824645E-06 2.0684393E-06 4 4.9557377E-04 -1.6368284E-04 -6.7191900E-05 2.3908625E-05 6.2001515E-06 5 1.4593445E-03 -4.8402472E-04 -1.9878347E-04 7.0702557E-05 1.8314547E-05 6 4.2237818E-03 -1.4076699E-03 -5.7855343E-04 2.0594480E-04 5.3431317E-05 7 1.1850271E-02 -3.9803830E-03 -1.6373794E-03 5.8240997E-04 1.5079667E-04 8 3.1666006E-02 -1.0796804E-02 -4.4512672E-03 1.5856958E-03 4.1165365E-04 9 7.8479145E-02 -2.7656091E-02 -1.1450054E-02 4.0759619E-03 1.0548118E-03 10 1.7148344E-01 -6.4824736E-02 -2.7106315E-02 9.6825784E-03 2.5165062E-03 11 2.9836006E-01 -1.3070903E-01 -5.5782866E-02 1.9946177E-02 5.1579795E-03 12 3.4058394E-01 -1.9606527E-01 -8.7255363E-02 3.1541462E-02 8.2352248E-03 13 1.8181945E-01 -1.2939289E-01 -6.1189651E-02 2.2109112E-02 5.6308885E-03 14 2.4254394E-02 2.2438211E-01 1.2967612E-01 -4.8317704E-02 -1.2323544E-02 15 1.8963836E-03 5.7328508E-01 4.5166180E-01 -1.8138965E-01 -4.8390652E-02 16 -8.9538098E-04 3.4365222E-01 3.6126242E-01 -1.4813776E-01 -3.7754332E-02 17 6.0684448E-04 4.4414291E-02 -3.4578797E-01 1.6290874E-01 4.0801507E-02 18 -4.5235916E-04 3.7179363E-03 -7.4295147E-01 5.4192684E-01 1.6161367E-01 19 2.4083696E-04 -6.1789575E-04 -2.5584039E-01 3.1162601E-01 8.3666312E-02 20 -1.1981195E-04 3.6227061E-04 -6.1015028E-03 -6.1582166E-01 -2.0117110E-01 21 6.1173577E-05 -2.6176785E-04 -2.8859269E-03 -6.8576965E-01 -4.0210020E-01 22 -2.6528211E-05 1.0115102E-04 7.7116889E-04 -7.4498861E-02 -9.4592329E-02 23 1.0764374E-05 -4.2344829E-05 -3.4081542E-04 1.7541706E-03 7.0597654E-01 24 -3.0965069E-06 1.2232800E-05 9.8257878E-05 -1.3244898E-04 5.1053040E-01 *** Small-Component *** 25 4.2670860E-05 -1.3949501E-05 -5.7180813E-06 2.0332968E-06 5.2676533E-07 26 1.6111475E-04 -5.2669824E-05 -2.1591915E-05 7.6815498E-06 1.9921522E-06 27 4.2555802E-04 -1.3915657E-04 -5.7043293E-05 2.0282530E-05 5.2536418E-06 28 1.0054607E-03 -3.2889023E-04 -1.3484162E-04 4.7977417E-05 1.2445725E-05 29 2.1796772E-03 -7.1383123E-04 -2.9266776E-04 1.0405244E-04 2.6944571E-05 30 4.4236888E-03 -1.4523090E-03 -5.9574106E-04 2.1201640E-04 5.5017021E-05 31 8.4530604E-03 -2.7932041E-03 -1.1465501E-03 4.0764642E-04 1.0552370E-04 32 1.5201227E-02 -5.0963545E-03 -2.0965527E-03 7.4663911E-04 1.9384656E-04 33 2.5308579E-02 -8.7722419E-03 -3.6241007E-03 1.2895909E-03 3.3368632E-04 34 3.7295353E-02 -1.3878427E-02 -5.7918614E-03 2.0682844E-03 5.3755752E-04 35 4.4093788E-02 -1.9036431E-02 -8.1098649E-03 2.8989347E-03 7.4959317E-04 36 3.4556960E-02 -1.9635138E-02 -8.7265138E-03 3.1538469E-03 8.2343508E-04 37 1.2786090E-02 -9.0252841E-03 -4.2679316E-03 1.5421515E-03 3.9281813E-04 38 1.1929388E-03 1.0834685E-02 6.2451130E-03 -2.3257875E-03 -5.9307768E-04 39 6.5875681E-05 1.9662960E-02 1.5463513E-02 -6.2087785E-03 -1.6563309E-03 40 -2.2208587E-05 8.3805207E-03 8.7995329E-03 -3.6082674E-03 -9.1963440E-04 41 1.0658894E-05 7.6577006E-04 -5.9491828E-03 2.8016254E-03 7.0160578E-04 42 -5.6037149E-06 4.5351757E-05 -9.0269564E-03 6.5825876E-03 1.9630032E-03 43 2.0976414E-06 -5.3396587E-06 -2.1797564E-03 2.6544544E-03 7.1270686E-04 44 -7.0490639E-07 2.1128872E-06 -3.4951119E-05 -3.5316052E-03 -1.1536290E-03 45 2.4175038E-07 -1.0211244E-06 -1.1099774E-05 -2.6313993E-03 -1.5428650E-03 46 -6.7950042E-08 2.5655298E-07 1.9131489E-06 -1.8378361E-04 -2.3334422E-04 47 1.7319662E-08 -6.7543700E-08 -5.2497371E-07 2.6811480E-06 1.0782752E-03 48 -3.2309487E-09 1.2692497E-08 9.6152348E-08 -1.2831181E-07 4.9240617E-04 2P- 3P- 4P- -7.5375975E+01 -1.1077978E+01 -1.1263514E+00 ------------ ------------ ------------ *** Large-Component *** 1 7.2714044E-06 -3.0385536E-06 9.7576024E-07 2 1.4892310E-05 -6.2229406E-06 1.9988201E-06 3 3.9746126E-05 -1.6611984E-05 5.3334589E-06 4 8.7616279E-05 -3.6617403E-05 1.1767143E-05 5 2.0202675E-04 -8.4517282E-05 2.7117383E-05 6 4.7640143E-04 -1.9934550E-04 6.4145501E-05 7 1.2521777E-03 -5.2563630E-04 1.6852323E-04 8 3.6391400E-03 -1.5308189E-03 4.9340365E-04 9 1.1276011E-02 -4.7827816E-03 1.5353239E-03 10 3.4187390E-02 -1.4674479E-02 4.7432457E-03 11 9.4117777E-02 -4.1558239E-02 1.3422582E-02 12 2.1275681E-01 -9.7821665E-02 3.1954622E-02 13 3.4647587E-01 -1.6902607E-01 5.5406317E-02 14 3.3181125E-01 -1.5342308E-01 5.0346300E-02 15 1.3822097E-01 9.5099866E-02 -4.5487345E-02 16 1.6802084E-02 4.3215903E-01 -1.7915364E-01 17 1.3868359E-03 4.5696307E-01 -2.3241426E-01 18 -3.3333355E-05 1.5055107E-01 3.7250031E-02 19 8.0168372E-05 8.8007666E-03 4.8571951E-01 20 -3.9893384E-05 5.1737617E-04 5.0517110E-01 21 1.1176649E-05 -1.3311529E-04 1.2269818E-01 *** Small-Component *** 22 1.2169649E-06 -5.0928749E-07 1.6297248E-07 23 3.3693374E-06 -1.4067643E-06 4.5409264E-07 24 9.3676644E-06 -3.9257652E-06 1.2540181E-06 25 2.4930314E-05 -1.0418514E-05 3.3658187E-06 26 6.6410176E-05 -2.7867396E-05 8.9049995E-06 27 1.7446990E-04 -7.3056766E-05 2.3587337E-05 28 4.5318842E-04 -1.9058264E-04 6.0998991E-05 29 1.1396035E-03 -4.7959697E-04 1.5474256E-04 30 2.7382422E-03 -1.1620032E-03 3.7287766E-04 31 6.0419883E-03 -2.5937652E-03 8.3855971E-04 32 1.1785999E-02 -5.2053615E-03 1.6811422E-03 33 1.8737644E-02 -8.6189627E-03 2.8157800E-03 34 2.1491583E-02 -1.0493581E-02 3.4400363E-03 35 1.4583711E-02 -6.7573245E-03 2.2183770E-03 36 4.2810895E-03 2.9945565E-03 -1.4299130E-03 37 3.3299113E-04 9.6065651E-03 -3.9810975E-03 38 -3.9431782E-06 7.1697719E-03 -3.6457738E-03 39 -1.4562772E-05 1.6568744E-03 4.0844186E-04 40 -1.0523665E-05 6.6029501E-05 3.5952022E-03 41 -3.1630323E-06 2.8001010E-06 2.5022195E-03 42 -5.3871948E-06 -1.0213274E-09 3.9033226E-04 2P+ 3P+ 4P+ -7.2842346E+01 -1.0672878E+01 -1.0798546E+00 ------------ ------------ ------------ *** Large-Component *** 1 6.5204923E-06 -2.7338821E-06 8.8058230E-07 2 2.4676655E-05 -1.0390932E-05 3.3026992E-06 3 1.2559178E-04 -5.2719930E-05 1.6993238E-05 4 5.4986179E-04 -2.3183327E-04 7.3917833E-05 5 2.2725358E-03 -9.5850636E-04 3.0847668E-04 6 8.6292683E-03 -3.6691381E-03 1.1734778E-03 7 2.9301736E-02 -1.2599664E-02 4.0613545E-03 8 8.6049155E-02 -3.8042202E-02 1.2245662E-02 9 2.0307328E-01 -9.3452259E-02 3.0428610E-02 10 3.4278772E-01 -1.6755494E-01 5.4747068E-02 11 3.4152858E-01 -1.6245285E-01 5.3394244E-02 12 1.5005605E-01 7.5223399E-02 -3.7512184E-02 13 1.9741537E-02 4.1944462E-01 -1.7245435E-01 14 1.5134962E-03 4.6891447E-01 -2.3683324E-01 15 -1.4261118E-05 1.6543926E-01 1.5893106E-02 16 7.8937729E-05 1.0811124E-02 4.6858144E-01 17 -4.0539604E-05 5.3620754E-04 5.1947361E-01 18 1.1456853E-05 -1.4075034E-04 1.3849880E-01 *** Small-Component *** 19 1.1726606E-05 -4.9051180E-06 1.5841629E-06 20 3.3180531E-05 -1.3950989E-05 4.4242182E-06 21 1.1210965E-04 -4.6946641E-05 1.5143644E-05 22 3.3256802E-04 -1.3991946E-04 4.4575221E-05 23 9.2281424E-04 -3.8832871E-04 1.2496516E-04 24 2.3688147E-03 -1.0050604E-03 3.2130540E-04 25 5.4758027E-03 -2.3497575E-03 7.5723450E-04 26 1.1061988E-02 -4.8813620E-03 1.5708341E-03 27 1.8124795E-02 -8.3273655E-03 2.7108669E-03 28 2.1436154E-02 -1.0463763E-02 3.4182983E-03 29 1.5124992E-02 -7.1883472E-03 2.3625805E-03 30 4.7229067E-03 2.3579151E-03 -1.1760715E-03 31 4.3939906E-04 9.3193217E-03 -3.8308545E-03 32 2.3766382E-05 7.3549852E-03 -3.7140696E-03 33 -1.6198227E-07 1.8194902E-03 1.7447740E-04 34 5.8653626E-07 8.0048041E-05 3.4691479E-03 35 -2.0158421E-07 2.6615998E-06 2.5732931E-03 36 3.6667088E-08 -4.4976442E-07 4.4107164E-04 3D- -5.6284705E+00 ------------ *** Large-Component *** 1 2.4177314E-04 2 7.2068538E-04 3 3.7129696E-03 4 1.4423230E-02 5 4.7151059E-02 6 1.2287750E-01 7 2.4509319E-01 8 3.4142049E-01 9 3.1291556E-01 10 1.5705287E-01 11 3.0253976E-02 *** Small-Component *** 12 6.2249230E-05 13 1.5339733E-04 14 5.3975133E-04 15 1.5003639E-03 16 3.4538359E-03 17 6.4040634E-03 18 9.0903137E-03 19 8.9674719E-03 20 5.8015572E-03 21 2.0419776E-03 22 2.6370747E-04 3D+ -5.5580614E+00 ------------ *** Large-Component *** 1 1.7503499E-04 2 6.5408756E-04 3 3.4036538E-03 4 1.3824076E-02 5 4.5862249E-02 6 1.2086504E-01 7 2.4266495E-01 8 3.4063249E-01 9 3.1523207E-01 10 1.6033056E-01 11 3.1448392E-02 *** Small-Component *** 12 5.6150220E-05 13 1.4446171E-04 14 5.1507694E-04 15 1.4552441E-03 16 3.3831544E-03 17 6.3173150E-03 18 9.0171980E-03 19 8.9548260E-03 20 5.8496443E-03 21 2.0860733E-03 22 2.7551848E-04 RADIAL MOMENTS Sym Orb S+ 1 3.18139E+03 3.89996E+01 3.91477E-02 2.06561E-03 1.37358E-04 1.10440E-05 2 3.39691E+02 8.80763E+00 1.71729E-01 3.48393E-02 8.06069E-03 2.10600E-03 3 5.84808E+01 2.94793E+00 4.88703E-01 2.73924E-01 1.70573E-01 1.17156E-01 4 7.75244E+00 9.71644E-01 1.36597E+00 2.11527E+00 3.63218E+00 6.87868E+00 5 5.66476E-01 2.73728E-01 4.56316E+00 2.37801E+01 1.39330E+02 9.10983E+02 P- 1 1.09583E+02 8.74393E+00 1.47527E-01 2.67161E-02 5.75521E-03 1.44280E-03 2 1.85270E+01 2.83104E+00 4.89149E-01 2.79045E-01 1.79268E-01 1.28628E-01 3 2.19357E+00 8.48885E-01 1.54896E+00 2.75632E+00 5.52359E+00 1.24083E+01 P+ 1 9.64533E+01 8.40834E+00 1.51655E-01 2.81061E-02 6.18283E-03 1.58098E-03 2 1.64062E+01 2.75357E+00 4.98946E-01 2.90143E-01 1.89968E-01 1.38900E-01 3 1.95660E+00 8.29225E-01 1.58051E+00 2.87026E+00 5.87205E+00 1.34703E+01 D- 1 8.17935E+00 2.52000E+00 4.94307E-01 2.96756E-01 2.12033E-01 1.77315E-01 D+ 1 8.02524E+00 2.49940E+00 4.97871E-01 3.00912E-01 2.16397E-01 1.82106E-01