****************************************************************************** Aluminum [Ne]3s(2)3p(1) Nuclear Charge = 13.0000000000 Atomic Mass = 27.0000000000 Nuclear Radius = 7.509168d-05 Speed of Light = 137.0359895000 S+ P- P+ Number of Closed Shells 3 1 1 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.33333333 0.0 1.0 0.0 2 0.66666667 0.0 0.0 1.0 * Energies Total Energy = -2.42330300982594d+02 Mass Energy = -2.42330016953059d+02 Kinetic Energy = 4.85572179864527d+02 Potential Energy = -4.85572463894063d+02 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 6.1451917844d+05 1.0000000000d+00 1.0000000000d+00 2 8.1631990820d+04 1.0000000000d+00 1.0000000000d+00 3 1.7258523546d+04 1.0000000000d+00 1.0000000000d+00 4 4.6465438892d+03 1.0000000000d+00 1.0000000000d+00 5 1.4602226271d+03 1.0000000000d+00 1.0000000000d+00 6 5.1197709344d+02 1.0000000000d+00 1.0000000000d+00 7 1.9482070488d+02 1.0000000000d+00 1.0000000000d+00 8 7.8874616696d+01 1.0000000000d+00 1.0000000000d+00 9 3.3451822872d+01 1.0000000000d+00 1.0000000000d+00 10 1.4482388821d+01 1.0000000000d+00 1.0000000000d+00 11 5.3210030029d+00 1.0000000000d+00 1.0000000000d+00 12 2.3205517033d+00 1.0000000000d+00 1.0000000000d+00 13 9.8260825821d-01 1.0000000000d+00 1.0000000000d+00 14 2.4498830042d-01 1.0000000000d+00 1.0000000000d+00 15 1.1933767006d-01 1.0000000000d+00 1.0000000000d+00 16 5.0532896127d-02 1.0000000000d+00 1.0000000000d+00 P- 1 1.2316064395d+03 1.0000000000d+00 1.0000000000d+00 2 2.6179648151d+02 1.0000000000d+00 1.0000000000d+00 3 8.0335486632d+01 1.0000000000d+00 1.0000000000d+00 4 2.9235794851d+01 1.0000000000d+00 1.0000000000d+00 5 1.1774813326d+01 1.0000000000d+00 1.0000000000d+00 6 4.9899994983d+00 1.0000000000d+00 1.0000000000d+00 7 2.1410407826d+00 1.0000000000d+00 1.0000000000d+00 8 9.0978683318d-01 1.0000000000d+00 1.0000000000d+00 9 3.1006955140d-01 1.0000000000d+00 1.0000000000d+00 10 1.1370870841d-01 1.0000000000d+00 1.0000000000d+00 11 4.0759788862d-02 1.0000000000d+00 1.0000000000d+00 P+ 1 9.3158179289d+02 1.0000000000d+00 1.0000000000d+00 2 2.1988578114d+02 1.0000000000d+00 1.0000000000d+00 3 7.0771574866d+01 1.0000000000d+00 1.0000000000d+00 4 2.6506961249d+01 1.0000000000d+00 1.0000000000d+00 5 1.0885627024d+01 1.0000000000d+00 1.0000000000d+00 6 4.6742891677d+00 1.0000000000d+00 1.0000000000d+00 7 2.0281765441d+00 1.0000000000d+00 1.0000000000d+00 8 8.7015094904d-01 1.0000000000d+00 1.0000000000d+00 9 2.9556779781d-01 1.0000000000d+00 1.0000000000d+00 10 1.0929538139d-01 1.0000000000d+00 1.0000000000d+00 11 3.9686522704d-02 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ -5.8633412d+01 -4.9291578d+00 -3.9437079d-01 ------------ ------------ ------------ *** Large Component *** 1 2.7735945d-05 -7.2498303d-06 1.6745489d-06 2 1.9603115d-04 -5.1191434d-05 1.1819257d-05 3 1.0234084d-03 -2.6816343d-04 6.1963611d-05 4 4.3684284d-03 -1.1438357d-03 2.6409108d-04 5 1.5944145d-02 -4.2267299d-03 9.7772997d-04 6 5.0429592d-02 -1.3573337d-02 3.1395438d-03 7 1.3456488d-01 -3.8387001d-02 8.9320758d-03 8 2.8150025d-01 -8.9201411d-02 2.0882941d-02 9 3.8789599d-01 -1.6271624d-01 3.9072664d-02 10 2.4639776d-01 -1.4791444d-01 3.6546367d-02 11 3.2590279d-02 1.8285625d-01 -4.9539385d-02 12 -3.5355448d-03 5.7258556d-01 -1.8997911d-01 13 1.8703214d-03 3.8428640d-01 -2.5723461d-01 14 -6.9875175d-04 2.4688106d-02 2.7213293d-01 15 5.0388049d-04 -9.8248387d-03 6.0346970d-01 16 -1.4284888d-04 2.2792099d-03 2.9033903d-01 *** Small Component *** 17 9.2075996d-05 -2.4036040d-05 5.5514614d-06 18 3.0339535d-04 -7.9069359d-05 1.8252575d-05 19 7.9124790d-04 -2.0693089d-04 4.7808733d-05 20 1.8181689d-03 -4.7508230d-04 1.0966964d-04 21 3.7858919d-03 -1.0016843d-03 2.3167824d-04 22 7.1551087d-03 -1.9222119d-03 4.4454851d-04 23 1.1833763d-02 -3.3700797d-03 7.8406986d-04 24 1.5790670d-02 -4.9959456d-03 1.1694732d-03 25 1.4188382d-02 -5.9432134d-03 1.4269889d-03 26 5.9336232d-03 -3.5580211d-03 8.7909096d-04 27 4.7574608d-04 2.6646439d-03 -7.2180231d-04 28 -3.4081590d-05 5.5125456d-03 -1.8288196d-03 29 1.1725592d-05 2.4075730d-03 -1.6114371d-03 30 -2.1856426d-06 7.7249596d-05 8.5120833d-04 31 1.0991879d-06 -2.1463079d-05 1.3174854d-03 32 -2.0245734d-07 3.2417582d-06 4.1246588d-04 2P- 3P- -3.2280972d+00 -2.0990637d-01 ------------ ------------ *** Large Component *** 1 3.8645657d-04 -6.9614477d-05 2 3.2739253d-03 -5.8679787d-04 3 1.7646554d-02 -3.2010310d-03 4 6.7226166d-02 -1.2232366d-02 5 1.8199132d-01 -3.4153485d-02 6 3.3085314d-01 -6.2145705d-02 7 3.8718708d-01 -7.9848581d-02 8 2.1954963d-01 -3.5655176d-02 9 2.4186110d-02 2.2480445d-01 10 -2.2473131d-03 5.5244761d-01 11 8.9557893d-04 3.6879139d-01 *** Small Component *** 12 9.1213870d-05 -1.6441625d-05 13 4.1621549d-04 -7.4589815d-05 14 1.2742302d-03 -2.3115256d-04 15 2.9529169d-03 -5.3730105d-04 16 5.0855545d-03 -9.5441527d-04 17 6.0247991d-03 -1.1317027d-03 18 4.6196629d-03 -9.5277004d-04 19 1.7071203d-03 -2.7727390d-04 20 1.0900442d-04 1.0213819d-03 21 -6.4394186d-06 1.5198985d-03 22 1.2070860d-06 6.0748557d-04 2P+ 3P+ -3.2107531d+00 -2.0937669d-01 ------------ ------------ *** Large Component *** 1 4.6605269d-04 -8.4228529d-05 2 3.9387258d-03 -7.0591605d-04 3 2.0264924d-02 -3.6892880d-03 4 7.3888635d-02 -1.3458948d-02 5 1.9156309d-01 -3.6140488d-02 6 3.3539248d-01 -6.2882251d-02 7 3.7929749d-01 -7.9742270d-02 8 2.0552379d-01 -2.8946063d-02 9 2.1252984d-02 2.3997697d-01 10 -2.0046663d-03 5.5128839d-01 11 8.1110695d-04 3.5271746d-01 *** Small Component *** 12 1.1421957d-04 -2.0641811d-05 13 4.7364514d-04 -8.4878648d-05 14 1.3873317d-03 -2.5254864d-04 15 3.1006113d-03 -5.6473421d-04 16 5.1548669d-03 -9.7245907d-04 17 5.9156027d-03 -1.1090464d-03 18 4.4071823d-03 -9.2649647d-04 19 1.5642598d-03 -2.2030873d-04 20 9.4274734d-05 1.0644178d-03 21 -5.4069823d-06 1.4869619d-03 22 1.3181995d-06 5.7328420d-04 * Radial Moments Sym Orb S+ 1 3.24338d+02 1.26444d+01 1.19913d-01 1.93616d-02 3.94690d-03 9.78144d-04 2 2.32036d+01 2.36009d+00 6.18239d-01 4.56424d-01 3.91071d-01 3.84596d-01 3 1.38182d+00 5.08168d-01 2.59405d+00 7.85902d+00 2.73139d+01 1.07917d+02 P- 1 7.00734d+00 2.21444d+00 5.98745d-01 4.52881d-01 4.18033d-01 4.59235d-01 2 3.13153d-01 3.79898d-01 3.42756d+00 1.39343d+01 6.57017d+01 3.53462d+02 P+ 1 6.91621d+00 2.20471d+00 6.00819d-01 4.55872d-01 4.22042d-01 4.64919d-01 2 3.10343d-01 3.79006d-01 3.43515d+00 1.39982d+01 6.61839d+01 3.57272d+02 ****************************************************************************** Silicon [Ne]3s(2)3p(2) Nuclear Charge = 14.0000000000 Atomic Mass = 28.0000000000 Nuclear Radius = 7.583792d-05 Speed of Light = 137.0359895000 S+ P- P+ Number of Closed Shells 3 1 1 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.06666667 0.0 2.0 0.0 2 0.53333333 0.0 1.0 1.0 3 0.40000000 0.0 0.0 2.0 * Energies Total Energy = -2.89460803216065d+02 Mass Energy = -2.89460388422732d+02 Kinetic Energy = 5.80180721549458d+02 Potential Energy = -5.80181136342792d+02 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 7.8343096765d+05 1.0000000000d+00 1.0000000000d+00 2 1.0252822687d+05 1.0000000000d+00 1.0000000000d+00 3 2.1459770624d+04 1.0000000000d+00 1.0000000000d+00 4 5.7367605650d+03 1.0000000000d+00 1.0000000000d+00 5 1.7940518313d+03 1.0000000000d+00 1.0000000000d+00 6 6.2680119429d+02 1.0000000000d+00 1.0000000000d+00 7 2.3796776524d+02 1.0000000000d+00 1.0000000000d+00 8 9.6210522426d+01 1.0000000000d+00 1.0000000000d+00 9 4.0773323777d+01 1.0000000000d+00 1.0000000000d+00 10 1.7669695715d+01 1.0000000000d+00 1.0000000000d+00 11 6.6976677156d+00 1.0000000000d+00 1.0000000000d+00 12 2.9700626772d+00 1.0000000000d+00 1.0000000000d+00 13 1.2792783720d+00 1.0000000000d+00 1.0000000000d+00 14 3.6311858485d-01 1.0000000000d+00 1.0000000000d+00 15 1.7320857668d-01 1.0000000000d+00 1.0000000000d+00 16 7.1546277221d-02 1.0000000000d+00 1.0000000000d+00 P- 1 1.5791195545d+03 1.0000000000d+00 1.0000000000d+00 2 3.2888451996d+02 1.0000000000d+00 1.0000000000d+00 3 1.0006015332d+02 1.0000000000d+00 1.0000000000d+00 4 3.6306925693d+01 1.0000000000d+00 1.0000000000d+00 5 1.4625296487d+01 1.0000000000d+00 1.0000000000d+00 6 6.2228670283d+00 1.0000000000d+00 1.0000000000d+00 7 2.6968168249d+00 1.0000000000d+00 1.0000000000d+00 8 1.1656403692d+00 1.0000000000d+00 1.0000000000d+00 9 4.0669065777d-01 1.0000000000d+00 1.0000000000d+00 10 1.5322438926d-01 1.0000000000d+00 1.0000000000d+00 11 5.5799018471d-02 1.0000000000d+00 1.0000000000d+00 P+ 1 1.1493584332d+03 1.0000000000d+00 1.0000000000d+00 2 2.7106832369d+02 1.0000000000d+00 1.0000000000d+00 3 8.7272792388d+01 1.0000000000d+00 1.0000000000d+00 4 3.2741477928d+01 1.0000000000d+00 1.0000000000d+00 5 1.3483500188d+01 1.0000000000d+00 1.0000000000d+00 6 5.8230147725d+00 1.0000000000d+00 1.0000000000d+00 7 2.5557980826d+00 1.0000000000d+00 1.0000000000d+00 8 1.1173493535d+00 1.0000000000d+00 1.0000000000d+00 9 3.9405903419d-01 1.0000000000d+00 1.0000000000d+00 10 1.4905934272d-01 1.0000000000d+00 1.0000000000d+00 11 5.4676752813d-02 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ -6.8999891d+01 -6.1897439d+00 -5.4539363d-01 ------------ ------------ ------------ *** Large Component *** 1 2.6688607d-05 -7.1470987d-06 1.8350797d-06 2 1.8496999d-04 -4.9518426d-05 1.2707016d-05 3 9.6156128d-04 -2.5809453d-04 6.6302814d-05 4 4.1060631d-03 -1.1024379d-03 2.8286595d-04 5 1.5024804d-02 -4.0770653d-03 1.0487004d-03 6 4.7727536d-02 -1.3162880d-02 3.3832914d-03 7 1.2839978d-01 -3.7381203d-02 9.6761293d-03 8 2.7269076d-01 -8.8141630d-02 2.2937613d-02 9 3.8699627d-01 -1.6308768d-01 4.3645359d-02 10 2.5983405d-01 -1.5918748d-01 4.3815103d-02 11 3.8761884d-02 1.5132562d-01 -4.5273847d-02 12 -3.8651663d-03 5.6771066d-01 -2.1325571d-01 13 2.1106534d-03 4.1309326d-01 -2.9266420d-01 14 -8.0395422d-04 3.1403813d-02 2.5396565d-01 15 5.1760154d-04 -9.5237825d-03 6.3653644d-01 16 -1.4264525d-04 2.1929117d-03 2.9662721d-01 *** Small Component *** 17 9.3447919d-05 -2.4987587d-05 6.4154826d-06 18 3.1149780d-04 -8.3203801d-05 2.1346063d-05 19 8.1755428d-04 -2.1894476d-04 5.6237137d-05 20 1.8859160d-03 -5.0513042d-04 1.2957914d-04 21 3.9408746d-03 -1.0669387d-03 2.7439058d-04 22 7.4802710d-03 -2.0584560d-03 5.2899243d-04 23 1.2470606d-02 -3.6233175d-03 9.3775035d-04 24 1.6890629d-02 -5.4495359d-03 1.4179641d-03 25 1.5628972d-02 -6.5751681d-03 1.7594198d-03 26 6.9128873d-03 -4.2294950d-03 1.1640946d-03 27 6.3499057d-04 2.4735349d-03 -7.3988133d-04 28 -4.2163828d-05 6.1833678d-03 -2.3224048d-03 29 1.5101422d-05 2.9530836d-03 -2.0919241d-03 30 -3.0623168d-06 1.1963087d-04 9.6710831d-04 31 1.3605478d-06 -2.5066439d-05 1.6742128d-03 32 -2.4057275d-07 3.7114200d-06 5.0141919d-04 2P- 3P- -4.2776453d+00 -2.7900285d-01 ------------ ------------ *** Large Component *** 1 3.6565754d-04 7.8050330d-05 2 3.0851171d-03 6.5158865d-04 3 1.6843854d-02 3.6264223d-03 4 6.5153532d-02 1.3982711d-02 5 1.7940994d-01 4.0189202d-02 6 3.3209299d-01 7.3798400d-02 7 3.9019412d-01 9.8312500d-02 8 2.1479109d-01 2.7456737d-02 9 2.2781149d-02 -2.8728879d-01 10 -1.8636184d-03 -5.4812870d-01 11 8.8798213d-04 -3.1131200d-01 *** Small Component *** 12 9.3457508d-05 1.9978379d-05 13 4.3534489d-04 9.1917297d-05 14 1.3533195d-03 2.9139706d-04 15 3.1858599d-03 6.8369785d-04 16 5.5850005d-03 1.2511484d-03 17 6.7519409d-03 1.5004843d-03 18 5.2243783d-03 1.3164621d-03 19 1.8900462d-03 2.4156584d-04 20 1.1729768d-04 -1.4948735d-03 21 -6.3131444d-06 -1.7505545d-03 22 1.3129459d-06 -6.0001234d-04 2P+ 3P+ -4.2525255d+00 -2.7785858d-01 ------------ ------------ *** Large Component *** 1 4.4200898d-04 9.4608236d-05 2 3.7504310d-03 7.9235889d-04 3 1.9470377d-02 4.2020347d-03 4 7.1848107d-02 1.5451082d-02 5 1.8912562d-01 4.2526932d-02 6 3.3668930d-01 7.4863441d-02 7 3.8150088d-01 9.7425031d-02 8 2.0062723d-01 2.0162993d-02 9 2.0311467d-02 -2.9680382d-01 10 -1.4899443d-03 -5.4553396d-01 11 7.7322974d-04 -3.0192857d-01 *** Small Component *** 12 1.1993598d-04 2.5670577d-05 13 5.0009868d-04 1.0563800d-04 14 1.4793244d-03 3.1923142d-04 15 3.3500048d-03 7.2033982d-04 16 5.6635706d-03 1.2734015d-03 17 6.6279693d-03 1.4736260d-03 18 4.9761114d-03 1.2706637d-03 19 1.7303917d-03 1.7391920d-04 20 1.0403422d-04 -1.5200688d-03 21 -4.6928440d-06 -1.7183909d-03 22 1.4749017d-06 -5.7600668d-04 * Radial Moments Sym Orb S+ 1 3.78087d+02 1.36504d+01 1.11058d-01 1.66038d-02 3.13305d-03 7.17928d-04 2 2.82683d+01 2.60480d+00 5.61037d-01 3.74869d-01 2.89767d-01 2.56311d-01 3 2.04384d+00 6.06137d-01 2.19879d+00 5.63348d+00 1.65068d+01 5.48760d+01 P- 1 8.65345d+00 2.46856d+00 5.33565d-01 3.57464d-01 2.90720d-01 2.80151d-01 2 5.00290d-01 4.74905d-01 2.78165d+00 9.20466d+00 3.54404d+01 1.56471d+02 P+ 1 8.52283d+00 2.45615d+00 5.35641d-01 3.60099d-01 2.93817d-01 2.83989d-01 2 4.94417d-01 4.73439d-01 2.78946d+00 9.25712d+00 3.57523d+01 1.58395d+02 ****************************************************************************** Phosphorus [Ne]3s(2)3p(3) Nuclear Charge = 15.0000000000 Atomic Mass = 31.0000000000 Nuclear Radius = 7.797518d-05 Speed of Light = 137.0359895000 S+ P- P+ Number of Closed Shells 3 1 1 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.20000000 0.0 2.0 1.0 2 0.60000000 0.0 1.0 2.0 3 0.20000000 0.0 0.0 3.0 * Energies Total Energy = -3.41494024203064d+02 Mass Energy = -3.41493457645050d+02 Kinetic Energy = 6.84688599660055d+02 Potential Energy = -6.84689166218068d+02 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 9.8461699696d+05 1.0000000000d+00 1.0000000000d+00 2 1.2740439557d+05 1.0000000000d+00 1.0000000000d+00 3 2.6451522419d+04 1.0000000000d+00 1.0000000000d+00 4 7.0284588254d+03 1.0000000000d+00 1.0000000000d+00 5 2.1865531281d+03 1.0000000000d+00 1.0000000000d+00 6 7.6079629236d+02 1.0000000000d+00 1.0000000000d+00 7 2.8789694934d+02 1.0000000000d+00 1.0000000000d+00 8 1.1610865518d+02 1.0000000000d+00 1.0000000000d+00 9 4.9121008165d+01 1.0000000000d+00 1.0000000000d+00 10 2.1291756068d+01 1.0000000000d+00 1.0000000000d+00 11 8.2884252692d+00 1.0000000000d+00 1.0000000000d+00 12 3.7067047663d+00 1.0000000000d+00 1.0000000000d+00 13 1.6132709527d+00 1.0000000000d+00 1.0000000000d+00 14 4.9619690432d-01 1.0000000000d+00 1.0000000000d+00 15 2.3273192011d-01 1.0000000000d+00 1.0000000000d+00 16 9.4747846331d-02 1.0000000000d+00 1.0000000000d+00 P- 1 1.9762390456d+03 1.0000000000d+00 1.0000000000d+00 2 4.0473550942d+02 1.0000000000d+00 1.0000000000d+00 3 1.2222608770d+02 1.0000000000d+00 1.0000000000d+00 4 4.4179558668d+01 1.0000000000d+00 1.0000000000d+00 5 1.7771122369d+01 1.0000000000d+00 1.0000000000d+00 6 7.5759708820d+00 1.0000000000d+00 1.0000000000d+00 7 3.3072807079d+00 1.0000000000d+00 1.0000000000d+00 8 1.4506837873d+00 1.0000000000d+00 1.0000000000d+00 9 5.2699088538d-01 1.0000000000d+00 1.0000000000d+00 10 2.0057927812d-01 1.0000000000d+00 1.0000000000d+00 11 7.3093227259d-02 1.0000000000d+00 1.0000000000d+00 P+ 1 1.3670636101d+03 1.0000000000d+00 1.0000000000d+00 2 3.2209584584d+02 1.0000000000d+00 1.0000000000d+00 3 1.0373409830d+02 1.0000000000d+00 1.0000000000d+00 4 3.8965396687d+01 1.0000000000d+00 1.0000000000d+00 5 1.6077387006d+01 1.0000000000d+00 1.0000000000d+00 6 6.9700677587d+00 1.0000000000d+00 1.0000000000d+00 7 3.0868880830d+00 1.0000000000d+00 1.0000000000d+00 8 1.3720182278d+00 1.0000000000d+00 1.0000000000d+00 9 5.0739464614d-01 1.0000000000d+00 1.0000000000d+00 10 1.9420021040d-01 1.0000000000d+00 1.0000000000d+00 11 7.1355705039d-02 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ -8.0229907d+01 -7.5662483d+00 -7.0931246d-01 ------------ ------------ ------------ *** Large Component *** 1 2.5865502d-05 -7.0710687d-06 -1.9503694d-06 2 1.7491833d-04 -4.7828478d-05 -1.3184208d-05 3 9.0215898d-04 -2.4718132d-04 -6.8219059d-05 4 3.8501951d-03 -1.0560276d-03 -2.9105614d-04 5 1.4131154d-02 -3.9116128d-03 -1.0810023d-03 6 4.5111897d-02 -1.2699326d-02 -3.5062193d-03 7 1.2248754d-01 -3.6269173d-02 -1.0088879d-02 8 2.6417635d-01 -8.6750881d-02 -2.4256517d-02 9 3.8566231d-01 -1.6292420d-01 -4.6901044d-02 10 2.7254113d-01 -1.6908717d-01 -5.0115429d-02 11 4.5272954d-02 1.2322580d-01 3.9292954d-02 12 -3.9504380d-03 5.6310832d-01 2.2970407d-01 13 2.2604367d-03 4.3761284d-01 3.2155912d-01 14 -8.7367721d-04 3.7843447d-02 -2.4352405d-01 15 5.1452800d-04 -9.1181186d-03 -6.5815761d-01 16 -1.4074521d-04 2.1725274d-03 -3.0096527d-01 *** Small Component *** 17 9.4471189d-05 -2.5783364d-05 -7.1113496d-06 18 3.1788565d-04 -8.6704233d-05 -2.3893687d-05 19 8.3843958d-04 -2.2912233d-04 -6.3223833d-05 20 1.9422675d-03 -5.3125288d-04 -1.4638115d-04 21 4.0759485d-03 -1.1252571d-03 -3.1090812d-04 22 7.7746898d-03 -2.1830395d-03 -6.0258689d-04 23 1.3074216d-02 -3.8622832d-03 -1.0741527d-03 24 1.7971389d-02 -5.8888768d-03 -1.6463049d-03 25 1.7096223d-02 -7.2080851d-03 -2.0746738d-03 26 7.9611685d-03 -4.9313271d-03 -1.4615071d-03 27 8.2526457d-04 2.2400132d-03 7.1405422d-04 28 -4.8156516d-05 6.8516991d-03 2.7944659d-03 29 1.8165649d-05 3.5131855d-03 2.5811217d-03 30 -3.8909633d-06 1.6852254d-04 -1.0840217d-03 31 1.5678507d-06 -2.7819468d-05 -2.0066045d-03 32 -2.7313256d-07 4.2312252d-06 -5.8546181d-04 2P- 3P- -5.4409994d+00 -3.5133209d-01 ------------ ------------ *** Large Component *** 1 3.5219971d-04 8.3670344d-05 2 2.9323004d-03 6.8918756d-04 3 1.6166401d-02 3.8767934d-03 4 6.3485380d-02 1.5180792d-02 5 1.7758715d-01 4.4452276d-02 6 3.3375251d-01 8.3152631d-02 7 3.9229039d-01 1.1139241d-01 8 2.0999799d-01 2.0516907d-02 9 2.2156394d-02 -3.1989862d-01 10 -1.2075418d-03 -5.4164270d-01 11 8.2789518d-04 -2.8520217d-01 *** Small Component *** 12 9.6010564d-05 2.2850855d-05 13 4.5406813d-04 1.0667777d-04 14 1.4307541d-03 3.4315080d-04 15 3.4203030d-03 8.1783306d-04 16 6.0909927d-03 1.5247493d-03 17 7.4856032d-03 1.8650809d-03 18 5.8158978d-03 1.6516720d-03 19 2.0610321d-03 2.0122603d-04 20 1.2955766d-04 -1.8948295d-03 21 -4.9346042d-06 -1.9791940d-03 22 1.2669409d-06 -6.2915029d-04 2P+ 3P+ -5.4057055d+00 -3.4926324d-01 ------------ ------------ *** Large Component *** 1 4.3544765d-04 1.0368314d-04 2 3.7019829d-03 8.7045245d-04 3 1.9312304d-02 4.6398077d-03 4 7.1778894d-02 1.7212298d-02 5 1.9032282d-01 4.7812920d-02 6 3.4087432d-01 8.5115129d-02 7 3.8129379d-01 1.0969967d-01 8 1.9093803d-01 9.2023851d-03 9 1.8889939d-02 -3.3030815d-01 10 -7.2386177d-04 -5.3684680d-01 11 6.8043505d-04 -2.7521540d-01 *** Small Component *** 12 1.2843754d-04 3.0580310d-05 13 5.3739112d-04 1.2632936d-04 14 1.5987682d-03 3.8405570d-04 15 3.6501290d-03 8.7515195d-04 16 6.2229625d-03 1.5631517d-03 17 7.3414188d-03 1.8329394d-03 18 5.4658303d-03 1.5723827d-03 19 1.8249241d-03 8.8001432d-05 20 1.0979042d-04 -1.9195728d-03 21 -2.6016379d-06 -1.9301728d-03 22 1.4825290d-06 -5.9980434d-04 * Radial Moments Sym Orb S+ 1 4.36179d+02 1.46591d+01 1.03405d-01 1.43914d-02 2.52718d-03 5.38495d-04 2 3.38556d+01 2.85008d+00 5.13625d-01 3.13584d-01 2.20965d-01 1.77805d-01 3 2.79276d+00 6.99500d-01 1.92229d+00 4.30031d+00 1.09793d+01 3.17574d+01 P- 1 1.04702d+01 2.72160d+00 4.81585d-01 2.89915d-01 2.11073d-01 1.81523d-01 2 7.14914d-01 5.64829d-01 2.36233d+00 6.65225d+00 2.18359d+01 8.24279d+01 P+ 1 1.02882d+01 2.70600d+00 4.83692d-01 2.92308d-01 2.13584d-01 1.84298d-01 2 7.04446d-01 5.62622d-01 2.37064d+00 6.69992d+00 2.20779d+01 8.37013d+01 ****************************************************************************** Sulfur [Ne]3s(2)3p(4) Nuclear Charge = 16.0000000000 Atomic Mass = 32.0000000000 Nuclear Radius = 7.865682d-05 Speed of Light = 137.0359895000 S+ P- P+ Number of Closed Shells 3 1 1 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.40000000 0.0 2.0 2.0 2 0.53333333 0.0 1.0 3.0 3 0.06666667 0.0 0.0 4.0 * Energies Total Energy = -3.98597155123609d+02 Mass Energy = -3.98596390496608d+02 Kinetic Energy = 7.99446718758852d+02 Potential Energy = -7.99447483385853d+02 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 1.2245712365d+06 1.0000000000d+00 1.0000000000d+00 2 1.5632049941d+05 1.0000000000d+00 1.0000000000d+00 3 3.2177487094d+04 1.0000000000d+00 1.0000000000d+00 4 8.4969740131d+03 1.0000000000d+00 1.0000000000d+00 5 2.6305283667d+03 1.0000000000d+00 1.0000000000d+00 6 9.1165636465d+02 1.0000000000d+00 1.0000000000d+00 7 3.4387023287d+02 1.0000000000d+00 1.0000000000d+00 8 1.3836254895d+02 1.0000000000d+00 1.0000000000d+00 9 5.8448041902d+01 1.0000000000d+00 1.0000000000d+00 10 2.5349532572d+01 1.0000000000d+00 1.0000000000d+00 11 1.0112419470d+01 1.0000000000d+00 1.0000000000d+00 12 4.5322887199d+00 1.0000000000d+00 1.0000000000d+00 13 1.9855540275d+00 1.0000000000d+00 1.0000000000d+00 14 6.4474103510d-01 1.0000000000d+00 1.0000000000d+00 15 2.9845213818d-01 1.0000000000d+00 1.0000000000d+00 16 1.2029203224d-01 1.0000000000d+00 1.0000000000d+00 P- 1 2.4196491942d+03 1.0000000000d+00 1.0000000000d+00 2 4.8672281101d+02 1.0000000000d+00 1.0000000000d+00 3 1.4570252712d+02 1.0000000000d+00 1.0000000000d+00 4 5.2445467779d+01 1.0000000000d+00 1.0000000000d+00 5 2.1054486856d+01 1.0000000000d+00 1.0000000000d+00 6 8.9775525737d+00 1.0000000000d+00 1.0000000000d+00 7 3.9366832821d+00 1.0000000000d+00 1.0000000000d+00 8 1.7454618118d+00 1.0000000000d+00 1.0000000000d+00 9 6.5735951592d-01 1.0000000000d+00 1.0000000000d+00 10 2.5216249629d-01 1.0000000000d+00 1.0000000000d+00 11 9.1918697391d-02 1.0000000000d+00 1.0000000000d+00 P+ 1 1.5499706335d+03 1.0000000000d+00 1.0000000000d+00 2 3.6498225057d+02 1.0000000000d+00 1.0000000000d+00 3 1.1749516169d+02 1.0000000000d+00 1.0000000000d+00 4 4.4159290313d+01 1.0000000000d+00 1.0000000000d+00 5 1.8246956906d+01 1.0000000000d+00 1.0000000000d+00 6 7.9294178152d+00 1.0000000000d+00 1.0000000000d+00 7 3.5354923399d+00 1.0000000000d+00 1.0000000000d+00 8 1.5913435870d+00 1.0000000000d+00 1.0000000000d+00 9 6.1827879308d-01 1.0000000000d+00 1.0000000000d+00 10 2.3963763085d-01 1.0000000000d+00 1.0000000000d+00 11 8.8545627253d-02 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ -9.2326090d+01 -9.0610288d+00 -8.8714515d-01 ------------ ------------ ------------ *** Large Component *** 1 2.5233973d-05 -7.0220198d-06 -2.0413231d-06 2 1.6673253d-04 -4.6428517d-05 -1.3488884d-05 3 8.5239778d-04 -2.3773065d-04 -6.9153201d-05 4 3.6322534d-03 -1.0147629d-03 -2.9477210d-04 5 1.3356665d-02 -3.7612907d-03 -1.0956180d-03 6 4.2829642d-02 -1.2271691d-02 -3.5709524d-03 7 1.1723084d-01 -3.5220368d-02 -1.0327542d-02 8 2.5626773d-01 -8.5282889d-02 -2.5137638d-02 9 3.8360726d-01 -1.6230972d-01 -4.9280683d-02 10 2.8379518d-01 -1.7743104d-01 -5.5534052d-02 11 5.1994571d-02 9.8148260d-02 3.2629233d-02 12 -3.7402081d-03 5.5824772d-01 2.4161854d-01 13 2.3114884d-03 4.5890605d-01 3.4603927d-01 14 -9.0627149d-04 4.4028707d-02 -2.3597754d-01 15 4.9541566d-04 -8.6845915d-03 -6.7380771d-01 16 -1.3602758d-04 2.1853588d-03 -3.0457894d-01 *** Small Component *** 17 9.5316964d-05 -2.6476034d-05 -7.6963029d-06 18 3.2406550d-04 -8.9994019d-05 -2.6137193d-05 19 8.5903432d-04 -2.3886714d-04 -6.9469302d-05 20 1.9975998d-03 -5.5633413d-04 -1.6155349d-04 21 4.2074916d-03 -1.1812239d-03 -3.4398998d-04 22 8.0631152d-03 -2.3034953d-03 -6.7010904d-04 23 1.3662898d-02 -4.0937256d-03 -1.2001099d-03 24 1.9025350d-02 -6.3158034d-03 -1.8612196d-03 25 1.8550329d-02 -7.8310513d-03 -2.3772309d-03 26 9.0473896d-03 -5.6459803d-03 -1.7669957d-03 27 1.0472006d-03 1.9698219d-03 6.5457081d-04 28 -5.0433050d-05 7.5109149d-03 3.2501469d-03 29 2.0612536d-05 4.0872924d-03 3.0814890d-03 30 -4.6017341d-06 2.2349788d-04 -1.1973605d-03 31 1.7096770d-06 -3.0006056d-05 -2.3263685d-03 32 -2.9742045d-07 4.7953392d-06 -6.6760113d-04 2P- 3P- -6.7202665d+00 -4.2785757d-01 ------------ ------------ *** Large Component *** 1 3.4575803d-04 8.8523684d-05 2 2.8424769d-03 7.2081350d-04 3 1.5799391d-02 4.0854182d-03 4 6.2764451d-02 1.6213198d-02 5 1.7767772d-01 4.8075212d-02 6 3.3739604d-01 9.1389972d-02 7 3.9379844d-01 1.2147807d-01 8 2.0239649d-01 1.1440099d-02 9 2.0900205d-02 -3.4352531d-01 10 -5.2096418d-04 -5.3424038d-01 11 7.5567081d-04 -2.6715271d-01 *** Small Component *** 12 9.9279866d-05 2.5469895d-05 13 4.7711439d-04 1.2093483d-04 14 1.5213033d-03 3.9344147d-04 15 3.6796580d-03 9.5047157d-04 16 6.6299622d-03 1.7940378d-03 17 8.2358408d-03 2.2309547d-03 18 6.3687492d-03 1.9649536d-03 19 2.1783806d-03 1.2282359d-04 20 1.3607556d-04 -2.2725811d-03 21 -2.8546453d-06 -2.1888350d-03 22 1.1167931d-06 -6.6090270d-04 2P+ 3P+ -6.6719532d+00 -4.2447194d-01 ------------ ------------ *** Large Component *** 1 4.5579896d-04 1.1684123d-04 2 3.8742573d-03 9.8354876d-04 3 2.0238322d-02 5.2389636d-03 4 7.5186947d-02 1.9514807d-02 5 1.9816205d-01 5.3820414d-02 6 3.5080803d-01 9.5603860d-02 7 3.7705433d-01 1.1784720d-01 8 1.7114754d-01 -1.0309341d-02 9 1.5502560d-02 -3.5923144d-01 10 2.0588291d-04 -5.2426071d-01 11 5.2837958d-04 -2.5142553d-01 *** Small Component *** 12 1.4271794d-04 3.6581009d-05 13 5.9795867d-04 1.5176241d-04 14 1.7821626d-03 4.6125755d-04 15 4.0694360d-03 1.0560238d-03 16 6.9021245d-03 1.8743300d-03 17 8.0584523d-03 2.1958447d-03 18 5.7845980d-03 1.8077406d-03 19 1.7617327d-03 -1.0600849d-04 20 9.9462430d-05 -2.3045111d-03 21 8.2414709d-07 -2.0938530d-03 22 1.2821240d-06 -6.1040236d-04 * Radial Moments Sym Orb S+ 1 4.98672d+02 1.56706d+01 9.67252d-02 1.25898d-02 2.06708d-03 4.11554d-04 2 3.99702d+01 3.09585d+00 4.73665d-01 2.66309d-01 1.72501d-01 1.27412d-01 3 3.63272d+00 7.90321d-01 1.71400d+00 3.41642d+00 7.76024d+00 1.99477d+01 P- 1 1.24599d+01 2.97400d+00 4.39054d-01 2.40156d-01 1.58423d-01 1.23175d-01 2 9.57031d-01 6.51810d-01 2.06229d+00 5.07788d+00 1.45935d+01 4.83338d+01 P+ 1 1.22123d+01 2.95466d+00 4.41212d-01 2.42376d-01 1.60529d-01 1.25275d-01 2 9.40092d-01 6.48686d-01 2.07118d+00 5.12288d+00 1.47959d+01 4.92827d+01 ****************************************************************************** Chlorine [Ne]3s(2)3p(5) Nuclear Charge = 17.0000000000 Atomic Mass = 35.0000000000 Nuclear Radius = 8.062015d-05 Speed of Light = 137.0359895000 S+ P- P+ Number of Closed Shells 3 1 1 Open Shells 0 1 1 Conf Weight Open Shell Occupation Numbers 1 0.66666667 0.0 2.0 3.0 2 0.33333333 0.0 1.0 4.0 * Energies Total Energy = -4.60937462350039d+02 Mass Energy = -4.60936414731282d+02 Kinetic Energy = 9.24807749651986d+02 Potential Energy = -9.24808797270743d+02 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 1.5332599413d+06 1.0000000000d+00 1.0000000000d+00 2 1.9332939488d+05 1.0000000000d+00 1.0000000000d+00 3 3.9377700806d+04 1.0000000000d+00 1.0000000000d+00 4 1.0313540544d+04 1.0000000000d+00 1.0000000000d+00 5 3.1737518528d+03 1.0000000000d+00 1.0000000000d+00 6 1.0946254030d+03 1.0000000000d+00 1.0000000000d+00 7 4.1119391165d+02 1.0000000000d+00 1.0000000000d+00 8 1.6486649379d+02 1.0000000000d+00 1.0000000000d+00 9 6.9451762405d+01 1.0000000000d+00 1.0000000000d+00 10 3.0116003504d+01 1.0000000000d+00 1.0000000000d+00 11 1.2314848467d+01 1.0000000000d+00 1.0000000000d+00 12 5.4873280046d+00 1.0000000000d+00 1.0000000000d+00 13 2.4095231556d+00 1.0000000000d+00 1.0000000000d+00 14 8.1408228077d-01 1.0000000000d+00 1.0000000000d+00 15 3.7321279384d-01 1.0000000000d+00 1.0000000000d+00 16 1.4892875632d-01 1.0000000000d+00 1.0000000000d+00 P- 1 2.8106004966d+03 1.0000000000d+00 1.0000000000d+00 2 5.5654429522d+02 1.0000000000d+00 1.0000000000d+00 3 1.6542786453d+02 1.0000000000d+00 1.0000000000d+00 4 5.9361410115d+01 1.0000000000d+00 1.0000000000d+00 5 2.3805473160d+01 1.0000000000d+00 1.0000000000d+00 6 1.0153691024d+01 1.0000000000d+00 1.0000000000d+00 7 4.4713279812d+00 1.0000000000d+00 1.0000000000d+00 8 2.0005855380d+00 1.0000000000d+00 1.0000000000d+00 9 7.8359526793d-01 1.0000000000d+00 1.0000000000d+00 10 3.0357847651d-01 1.0000000000d+00 1.0000000000d+00 11 1.1119834758d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.7262996282d+03 1.0000000000d+00 1.0000000000d+00 2 4.0623066173d+02 1.0000000000d+00 1.0000000000d+00 3 1.3071939431d+02 1.0000000000d+00 1.0000000000d+00 4 4.9134689462d+01 1.0000000000d+00 1.0000000000d+00 5 2.0306598772d+01 1.0000000000d+00 1.0000000000d+00 6 8.8243307577d+00 1.0000000000d+00 1.0000000000d+00 7 3.9435701320d+00 1.0000000000d+00 1.0000000000d+00 8 1.7795742901d+00 1.0000000000d+00 1.0000000000d+00 9 7.2357424325d-01 1.0000000000d+00 1.0000000000d+00 10 2.8448958592d-01 1.0000000000d+00 1.0000000000d+00 11 1.0603458076d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ -1.0529075d+02 -1.0675646d+01 -1.0793997d+00 ------------ ------------ ------------ *** Large Component *** 1 2.4324183d-05 -6.8740670d-06 -2.0810334d-06 2 1.5669990d-04 -4.4333775d-05 -1.3414411d-05 3 7.9509565d-04 -2.2519793d-04 -6.8219797d-05 4 3.3853193d-03 -9.6112299d-04 -2.9077642d-04 5 1.2479500d-02 -3.5666081d-03 -1.0818998d-03 6 4.0230669d-02 -1.1702992d-02 -3.5468049d-03 7 1.1121733d-01 -3.3803201d-02 -1.0321493d-02 8 2.4716807d-01 -8.3061319d-02 -2.5500287d-02 9 3.8079418d-01 -1.6061429d-01 -5.0773525d-02 10 2.9627850d-01 -1.8552746d-01 -6.0560892d-02 11 6.0342068d-02 7.1271122d-02 2.4273727d-02 12 -3.1264782d-03 5.5136279d-01 2.4854349d-01 13 2.2631990d-03 4.8172872d-01 3.6933279d-01 14 -9.0310706d-04 5.0963591d-02 -2.2335918d-01 15 4.6167290d-04 -8.3930260d-03 -6.8761640d-01 16 -1.2808019d-04 2.2433399d-03 -3.1152879d-01 *** Small Component *** 17 9.4640253d-05 -2.6692736d-05 -8.0804190d-06 18 3.2542869d-04 -9.1800865d-05 -2.7766396d-05 19 8.6921908d-04 -2.4536374d-04 -7.4310365d-05 20 2.0310641d-03 -5.7461303d-04 -1.7377646d-04 21 4.2964820d-03 -1.2236403d-03 -3.7107030d-04 22 8.2785745d-03 -2.4001814d-03 -7.2717758d-04 23 1.4158468d-02 -4.2899589d-03 -1.3095365d-03 24 2.0022814d-02 -6.7097267d-03 -2.0593928d-03 25 2.0073343d-02 -8.4446700d-03 -2.6689445d-03 26 1.0297383d-02 -6.4342254d-03 -2.1000720d-03 27 1.3415700d-03 1.5771914d-03 5.3678361d-04 28 -4.6406018d-05 8.1623499d-03 3.6784798d-03 29 2.2237605d-05 4.7266594d-03 3.6230802d-03 30 -5.1540358d-06 2.9069777d-04 -1.2734734d-03 31 1.7818513d-06 -3.2426397d-05 -2.6547945d-03 32 -3.1159280d-07 5.4761814d-06 -7.5977982d-04 2P- 3P- -8.1167912d+00 -5.0905699d-01 ------------ ------------ *** Large Component *** 1 3.6110410d-04 9.7716120d-05 2 2.9359933d-03 7.8880036d-04 3 1.6352493d-02 4.4711725d-03 4 6.5137484d-02 1.7860032d-02 5 1.8403730d-01 5.2797525d-02 6 3.4666704d-01 1.0037536d-01 7 3.9170932d-01 1.2855793d-01 8 1.8503953d-01 -5.6978348d-03 9 1.7633892d-02 -3.6653691d-01 10 3.2982160d-04 -5.2338744d-01 11 6.1643853d-04 -2.4838215d-01 *** Small Component *** 12 1.0737465d-04 2.9110668d-05 13 5.2184573d-04 1.4014279d-04 14 1.6728884d-03 4.5747700d-04 15 4.0585486d-03 1.1127572d-03 16 7.2991312d-03 2.0941843d-03 17 8.9977161d-03 2.6054193d-03 18 6.7504863d-03 2.2159733d-03 19 2.1314046d-03 -6.6314311d-05 20 1.2464067d-04 -2.6474345d-03 21 5.4193522d-07 -2.3528742d-03 22 7.0377507d-07 -6.7586650d-04 2P+ 3P+ -8.0521311d+00 -5.0387282d-01 ------------ ------------ *** Large Component *** 1 4.8320966d-04 1.3077670d-04 2 4.1032000d-03 1.1041266d-03 3 2.1435907d-02 5.8630094d-03 4 7.9507510d-02 2.1931326d-02 5 2.0802857d-01 5.9865635d-02 6 3.6288168d-01 1.0613151d-01 7 3.7157431d-01 1.2245473d-01 8 1.4879018d-01 -3.6193071d-02 9 1.1418022d-02 -3.8376546d-01 10 1.0792216d-03 -5.0825058d-01 11 3.7321760d-04 -2.2930130d-01 *** Small Component *** 12 1.5918973d-04 4.3075564d-05 13 6.6733024d-04 1.7951746d-04 14 1.9899877d-03 5.4416911d-04 15 4.5383240d-03 1.2515663d-03 16 7.6432814d-03 2.1991616d-03 17 8.7935495d-03 2.5714327d-03 18 6.0206901d-03 1.9838804d-03 19 1.6197084d-03 -3.9377562d-04 20 7.9248453d-05 -2.6633011d-03 21 4.6994263d-06 -2.2117337d-03 22 9.9061787d-07 -6.0919244d-04 * Radial Moments Sym Orb S+ 1 5.65631d+02 1.66851d+01 9.08433d-02 1.11035d-02 1.71154d-03 3.19744d-04 2 4.66190d+01 3.34213d+00 4.39507d-01 2.29040d-01 1.37325d-01 9.37840d-02 3 4.56671d+00 8.79610d-01 1.54974d+00 2.79181d+00 5.72480d+00 1.32725d+01 P- 1 1.46250d+01 3.22611d+00 4.03548d-01 2.02349d-01 1.22099d-01 8.66917d-02 2 1.22685d+00 7.36912d-01 1.83461d+00 4.02399d+00 1.03135d+01 3.05200d+01 P+ 1 1.42955d+01 3.20246d+00 4.05768d-01 2.04437d-01 1.23911d-01 8.83496d-02 2 1.20120d+00 7.32693d-01 1.84402d+00 4.06658d+00 1.04850d+01 3.12405d+01 ****************************************************************************** Argon [Ne]3s(2)3p(6) Nuclear Charge = 18.0000000000 Atomic Mass = 40.0000000000 Nuclear Radius = 8.365671d-05 Speed of Light = 137.0359895000 S+ P- P+ Number of Closed Shells 3 2 2 Open Shells 0 0 0 * Energies Total Energy = -5.28682681672985d+02 Mass Energy = -5.28681350694295d+02 Kinetic Energy = 1.06112728095440d+03 Potential Energy = -1.06112861193310d+03 NORMALIZED BASIS SPINORS SYMMETRY EXPONENT PARAM COEFFICIENTS SPECIES LARGE-COMPONENT SMALL-COMPONENT S+ 1 1.8828031280d+06 1.0000000000d+00 1.0000000000d+00 2 2.3518122128d+05 1.0000000000d+00 1.0000000000d+00 3 4.7508983138d+04 1.0000000000d+00 1.0000000000d+00 4 1.2361405545d+04 1.0000000000d+00 1.0000000000d+00 5 3.7843138358d+03 1.0000000000d+00 1.0000000000d+00 6 1.2997391499d+03 1.0000000000d+00 1.0000000000d+00 7 4.8656264541d+02 1.0000000000d+00 1.0000000000d+00 8 1.9455760463d+02 1.0000000000d+00 1.0000000000d+00 9 8.1808129167d+01 1.0000000000d+00 1.0000000000d+00 10 3.5504349205d+01 1.0000000000d+00 1.0000000000d+00 11 1.4870226550d+01 1.0000000000d+00 1.0000000000d+00 12 6.5501017831d+00 1.0000000000d+00 1.0000000000d+00 13 2.8794075977d+00 1.0000000000d+00 1.0000000000d+00 14 1.0036201381d+00 1.0000000000d+00 1.0000000000d+00 15 4.5598234283d-01 1.0000000000d+00 1.0000000000d+00 16 1.8037032779d-01 1.0000000000d+00 1.0000000000d+00 P- 1 3.3683706065d+03 1.0000000000d+00 1.0000000000d+00 2 6.5734811192d+02 1.0000000000d+00 1.0000000000d+00 3 1.9380186903d+02 1.0000000000d+00 1.0000000000d+00 4 6.9168332616d+01 1.0000000000d+00 1.0000000000d+00 5 2.7628367143d+01 1.0000000000d+00 1.0000000000d+00 6 1.1751803912d+01 1.0000000000d+00 1.0000000000d+00 7 5.1707441020d+00 1.0000000000d+00 1.0000000000d+00 8 2.3161506151d+00 1.0000000000d+00 1.0000000000d+00 9 9.2894360712d-01 1.0000000000d+00 1.0000000000d+00 10 3.6204364789d-01 1.0000000000d+00 1.0000000000d+00 11 1.3274103256d-01 1.0000000000d+00 1.0000000000d+00 P+ 1 1.9332410710d+03 1.0000000000d+00 1.0000000000d+00 2 4.5447334742d+02 1.0000000000d+00 1.0000000000d+00 3 1.4615525659d+02 1.0000000000d+00 1.0000000000d+00 4 5.4924034644d+01 1.0000000000d+00 1.0000000000d+00 5 2.2692082285d+01 1.0000000000d+00 1.0000000000d+00 6 9.8554114800d+00 1.0000000000d+00 1.0000000000d+00 7 4.4057078206d+00 1.0000000000d+00 1.0000000000d+00 8 1.9781159715d+00 1.0000000000d+00 1.0000000000d+00 9 8.3060105857d-01 1.0000000000d+00 1.0000000000d+00 10 3.3076649805d-01 1.0000000000d+00 1.0000000000d+00 11 1.2429880121d-01 1.0000000000d+00 1.0000000000d+00 SPINOR ENERGIES AND VECTORS 1S+ 2S+ 3S+ -1.1912618d+02 -1.2411273d+01 -1.2863689d+00 ------------ ------------ ------------ *** Large Component *** 1 2.3793457d-05 -6.8158484d-06 -2.1314872d-06 2 1.4913356d-04 -4.2787662d-05 -1.3374848d-05 3 7.4846172d-04 -2.1489244d-04 -6.7245693d-05 4 3.1773988d-03 -9.1502881d-04 -2.8600092d-04 5 1.1726650d-02 -3.3954072d-03 -1.0639121d-03 6 3.7953938d-02 -1.1189847d-02 -3.5036596d-03 7 1.0576762d-01 -3.2473598d-02 -1.0241249d-02 8 2.3837093d-01 -8.0779265d-02 -2.5621295d-02 9 3.7687965d-01 -1.5836249d-01 -5.1687327d-02 10 3.0737403d-01 -1.9209412d-01 -6.4831372d-02 11 6.9488074d-02 4.6516068d-02 1.5910233d-02 12 -2.0801296d-03 5.4306144d-01 2.5245834d-01 13 2.0944117d-03 5.0256373d-01 3.9030977d-01 14 -8.5169224d-04 5.7938173d-02 -2.1048267d-01 15 4.0654289d-04 -8.0364037d-03 -6.9945307d-01 16 -1.1546136d-04 2.3029340d-03 -3.1850174d-01 *** Small Component *** 17 9.4389456d-05 -2.6981439d-05 -8.4371896d-06 18 3.2758251d-04 -9.3692472d-05 -2.9274830d-05 19 8.8008796d-04 -2.5173345d-04 -7.8751565d-05 20 2.0648445d-03 -5.9231354d-04 -1.8505271d-04 21 4.3845333d-03 -1.2645176d-03 -3.9608384d-04 22 8.4872432d-03 -2.4928548d-03 -7.8023775d-04 23 1.4628672d-02 -4.4755830d-03 -1.4110121d-03 24 2.0967965d-02 -7.0828890d-03 -2.2458454d-03 25 2.1561980d-02 -9.0334868d-03 -2.9476384d-03 26 1.1601986d-02 -7.2326873d-03 -2.4406772d-03 27 1.6981978d-03 1.1292622d-03 3.8575255d-04 28 -3.3751101d-05 8.7832679d-03 4.0819220d-03 29 2.2501002d-05 5.3907059d-03 4.1855799d-03 30 -5.3979082d-06 3.6694319d-04 -1.3324211d-03 31 1.7343814d-06 -3.4315354d-05 -2.9849714d-03 32 -3.0907128d-07 6.1849045d-06 -8.5486285d-04 2P- 3P- -9.6316026d+00 -5.9517293d-01 ------------ ------------ *** Large Component *** 1 3.5722686d-04 1.0021521d-04 2 2.8418860d-03 7.9270137d-04 3 1.5923885d-02 4.5147533d-03 4 6.4236069d-02 1.8304719d-02 5 1.8403556d-01 5.4835618d-02 6 3.5091753d-01 1.0627153d-01 7 3.9455844d-01 1.3438748d-01 8 1.7825334d-01 -1.6783448d-02 9 1.5428153d-02 -3.8088764d-01 10 -1.1140941d-04 -5.1566572d-01 11 1.1804408d-04 -2.3711888d-01 *** Small Component *** 12 1.1015531d-04 3.0961192d-05 13 5.4143147d-04 1.5095974d-04 14 1.7558446d-03 4.9789546d-04 15 4.3140055d-03 1.2292575d-03 16 7.8588566d-03 2.3418557d-03 17 9.7962160d-03 2.9669321d-03 18 7.3109347d-03 2.4907735d-03 19 2.2084953d-03 -2.0905194d-04 20 1.1794653d-04 -2.9954072d-03 21 -1.7565897d-06 -2.5315844d-03 22 -8.8753404d-07 -7.0497625d-04 2P+ 3P+ -9.5467368d+00 -5.8761031d-01 ------------ ------------ *** Large Component *** 1 5.0003468d-04 1.4010631d-04 2 4.2452041d-03 1.1867867d-03 3 2.2214860d-02 6.2946118d-03 4 8.2480270d-02 2.3691527d-02 5 2.1535533d-01 6.4361203d-02 6 3.7260609d-01 1.1459095d-01 7 3.6756904d-01 1.2412523d-01 8 1.3213378d-01 -6.1876680d-02 9 7.4763910d-03 -4.0202377d-01 10 7.7384771d-04 -4.9212272d-01 11 -1.3522000d-04 -2.1103264d-01 *** Small Component *** 12 1.7373444d-04 4.8666217d-05 13 7.2929190d-04 2.0381077d-04 14 2.1793778d-03 6.1736146d-04 15 4.9764787d-03 1.4290542d-03 16 8.3636622d-03 2.4990314d-03 17 9.5420424d-03 2.9339961d-03 18 6.2952817d-03 2.1255327d-03 19 1.5165708d-03 -7.0983389d-04 20 5.5595041d-05 -2.9892453d-03 21 3.6352500d-06 -2.3091723d-03 22 -3.9011331d-07 -6.0702755d-04 * Radial Moments Sym Orb S+ 1 6.37122d+02 1.77026d+01 8.56247d-02 9.86334d-03 1.43257d-03 2.52044d-04 2 5.38104d+01 3.58896d+00 4.09958d-01 1.99115d-01 1.11145d-01 7.06076d-02 3 5.59721d+00 9.67933d-01 1.41607d+00 2.33038d+00 4.36149d+00 9.22226d+00 P- 1 1.69829d+01 3.48007d+00 3.73057d-01 1.72432d-01 9.56143d-02 6.21299d-02 2 1.51074d+00 8.18904d-01 1.65505d+00 3.27740d+00 7.59014d+00 2.03236d+01 P+ 1 1.65519d+01 3.45147d+00 3.75341d-01 1.74407d-01 9.71853d-02 6.34506d-02 2 1.47387d+00 8.13374d-01 1.66502d+00 3.31839d+00 7.74042d+00 2.09003d+01 ******************************************************************************