RADIUM [RN]7S(2), 1S CHARGE = 88.000000 SYMMETRY SPECIES S P D F NUMBER OF BASIS FUNCTIONS 35 26 18 13 NUMBER OF CLOSED SHELLS 7 5 3 1 NUMBER OF OPEN SHELLS 0 0 0 0 OPEN SHELL OCCUPATION NUMBER 0 0 0 0 *** FINAL SCF RESULTS *** E =-24988.616996780 ORBITAL ENERGIES AND EXPANSION COEFFICIENTS S 1S 2S 3S 4S 5S 6S 7S BASIS/ORB.ENERGY -3846.5239000 -713.0058800 -179.8271800 -45.7358250 -10.0184960 -1.6261645 -0.1651272 S 3.2244469D+12 0.0000013 -0.0000005 0.0000003 0.0000001 -0.0000001 0.0000000 0.0000000 S 3.1047682D+11 0.0000051 -0.0000021 0.0000010 0.0000005 -0.0000003 0.0000001 0.0000000 S 4.8590502D+10 0.0000151 -0.0000062 0.0000030 0.0000015 -0.0000007 0.0000003 -0.0000001 S 1.0054799D+10 0.0000379 -0.0000155 0.0000075 0.0000039 -0.0000019 0.0000008 -0.0000002 S 2.5073787D+09 0.0000851 -0.0000348 0.0000169 0.0000087 -0.0000042 0.0000018 -0.0000005 S 7.2698514D+08 0.0001706 -0.0000696 0.0000338 0.0000174 -0.0000083 0.0000035 -0.0000010 S 2.4170350D+08 0.0003147 -0.0001283 0.0000623 0.0000320 -0.0000153 0.0000065 -0.0000019 S 8.6668624D+07 0.0005946 -0.0002421 0.0001176 0.0000604 -0.0000289 0.0000122 -0.0000036 S 3.0891912D+07 0.0011873 -0.0004832 0.0002347 0.0001206 -0.0000578 0.0000243 -0.0000072 S 1.0730469D+07 0.0023756 -0.0009672 0.0004698 0.0002413 -0.0001157 0.0000487 -0.0000144 S 3.7197889D+06 0.0046352 -0.0018901 0.0009184 0.0004718 -0.0002262 0.0000951 -0.0000281 S 1.3137610D+06 0.0088229 -0.0036104 0.0017553 0.0009018 -0.0004323 0.0001818 -0.0000537 S 4.7990400D+05 0.0161955 -0.0066718 0.0032477 0.0016691 -0.0008002 0.0003367 -0.0000993 S 1.8466920D+05 0.0284733 -0.0118604 0.0057841 0.0029736 -0.0014256 0.0005996 -0.0001770 S 7.5418635D+04 0.0481811 -0.0204327 0.0099962 0.0051444 -0.0024676 0.0010385 -0.0003062 S 3.2773337D+04 0.0781375 -0.0340368 0.0167282 0.0086150 -0.0041313 0.0017371 -0.0005132 S 1.5098341D+04 0.1218287 -0.0553192 0.0273935 0.0141450 -0.0067933 0.0028617 -0.0008424 S 7.2580908D+03 0.1823732 -0.0880088 0.0440600 0.0227853 -0.0109325 0.0045929 -0.0013603 S 3.5801424D+03 0.2465637 -0.1308276 0.0667138 0.0347332 -0.0167317 0.0070642 -0.0020715 S 1.8042970D+03 0.2641108 -0.1561749 0.0813627 0.0424363 -0.0203688 0.0085298 -0.0025475 S 9.2330442D+02 0.1818917 -0.0895046 0.0437874 0.0227170 -0.0110439 0.0047529 -0.0013337 S 4.7079316D+02 0.0529798 0.1874558 -0.1489745 -0.0869313 0.0433802 -0.0186219 0.0053452 S 2.4261351D+02 0.0016790 0.5095831 -0.4834117 -0.2942265 0.1467731 -0.0618215 0.0186310 S 1.2776994D+02 0.0009685 0.3789340 -0.4459867 -0.2988348 0.1562725 -0.0682235 0.0193118 S 7.0384491D+01 -0.0007695 0.0760098 0.3039773 0.3010869 -0.1760061 0.0800141 -0.0218518 S 3.9219871D+01 0.0005037 0.0066245 0.7777530 0.9831932 -0.5922282 0.2572005 -0.0801586 S 2.1292988D+01 -0.0003668 -0.0019821 0.3181377 0.3351576 -0.2141073 0.1087645 -0.0254948 S 1.2221818D+01 0.0002457 0.0011327 0.0139661 -0.8611326 0.8247612 -0.4277260 0.1181745 S 6.7171019D+00 -0.0001168 -0.0006604 0.0067120 -0.6865563 0.9686294 -0.5115802 0.1721656 S 3.2145788D+00 0.0000511 0.0002940 -0.0022530 -0.0735379 -0.6591886 0.4779205 -0.1759278 S 1.6484713D+00 -0.0000237 -0.0001233 0.0008163 0.0041226 -0.9210553 0.9798968 -0.3082022 S 6.4486758D-01 0.0000087 0.0000475 -0.0003265 -0.0014166 -0.0873879 -0.4131856 0.1218312 S 2.9782185D-01 -0.0000038 -0.0000215 0.0001502 0.0006076 0.0108329 -0.9561951 0.6633638 S 9.4009563D-02 0.0000010 0.0000057 -0.0000390 -0.0001346 -0.0022441 -0.0869698 -0.1484182 S 2.9444441D-02 -0.0000003 -0.0000015 0.0000105 0.0000354 0.0005395 0.0084725 -1.0398832 P 2P 3P 4P 5P 6P BASIS/ORB.ENERGY -604.0551200 -148.7040800 -35.3536100 -6.8040548 -0.8069118 P 5.1267276D+08 0.0000048 -0.0000025 -0.0000013 -0.0000006 0.0000002 P 7.1882190D+07 0.0000155 -0.0000081 -0.0000042 -0.0000019 0.0000007 P 1.4487878D+07 0.0000421 -0.0000221 -0.0000114 -0.0000052 0.0000020 P 3.6574645D+06 0.0001047 -0.0000549 -0.0000283 -0.0000130 0.0000049 P 1.0436183D+06 0.0002555 -0.0001343 -0.0000691 -0.0000318 0.0000119 P 3.3112639D+05 0.0005988 -0.0003156 -0.0001625 -0.0000747 0.0000280 P 1.1545176D+05 0.0014085 -0.0007450 -0.0003839 -0.0001764 0.0000662 P 4.3364399D+04 0.0033425 -0.0017765 -0.0009166 -0.0004216 0.0001583 P 1.7541541D+04 0.0079676 -0.0042654 -0.0022042 -0.0010132 0.0003805 P 7.5611426D+03 0.0191887 -0.0103790 -0.0053783 -0.0024781 0.0009309 P 3.4456953D+03 0.0454465 -0.0249962 -0.0130031 -0.0059837 0.0022477 P 1.6513379D+03 0.1011535 -0.0570874 -0.0299035 -0.0138242 0.0051959 P 8.2630518D+02 0.1971264 -0.1154742 -0.0610383 -0.0281738 0.0105911 P 4.2784464D+02 0.3046641 -0.1860002 -0.0995909 -0.0463832 0.0174547 P 2.2758046D+02 0.3158545 -0.1782031 -0.0920012 -0.0418640 0.0157058 P 1.2323320D+02 0.1749152 0.0535237 0.0627346 0.0326041 -0.0125804 P 6.7079527D+01 0.0358508 0.4320359 0.3627500 0.1901084 -0.0731636 P 3.7147237D+01 0.0012326 0.4631765 0.3868497 0.1928740 -0.0737146 P 2.0381263D+01 0.0000671 0.1622383 -0.1951206 -0.1544114 0.0640851 P 1.0964855D+01 -0.0001398 0.0133183 -0.6635903 -0.5518558 0.2337604 P 5.8958036D+00 0.0000211 0.0008221 -0.3488888 -0.2016047 0.0740342 P 2.9839220D+00 -0.0000034 -0.0003348 -0.0390118 0.6200222 -0.3618802 P 1.4909924D+00 0.0000078 0.0000579 -0.0000542 0.5734833 -0.3736536 P 6.5055803D-01 -0.0000017 -0.0000441 -0.0001643 0.0875093 0.3110614 P 2.9672566D-01 0.0000008 0.0000190 0.0000977 -0.0036389 0.6891829 P 1.2027334D-01 -0.0000002 -0.0000050 -0.0000246 0.0009711 0.2371468 D 3D 4D 5D BASIS/ORB.ENERGY -118.0989600 -23.6731030 -2.9937224 D 3.8358002D+04 0.0000721 0.0000394 0.0000162 D 9.9661515D+03 0.0004361 0.0002394 0.0000988 D 3.4994748D+03 0.0021889 0.0012038 0.0004958 D 1.4368697D+03 0.0094077 0.0052166 0.0021567 D 6.5889404D+02 0.0331120 0.0184967 0.0076434 D 3.2629428D+02 0.0941691 0.0536011 0.0222893 D 1.6984739D+02 0.2089968 0.1200660 0.0498873 D 9.0895189D+01 0.3331748 0.1874257 0.0778754 D 4.9761984D+01 0.3302873 0.1375319 0.0504919 D 2.7460074D+01 0.1684438 -0.1347967 -0.0833805 D 1.5122507D+01 0.0351816 -0.4159037 -0.2261769 D 8.4711397D+00 0.0022594 -0.3966930 -0.1963418 D 4.8087400D+00 0.0002772 -0.1642292 0.0817987 D 2.8585222D+00 -0.0000210 -0.0289510 0.3102448 D 1.7499034D+00 -0.0000007 -0.0036243 0.3818743 D 1.0131640D+00 0.0000048 0.0002107 0.2922620 D 5.4102524D-01 -0.0000002 0.0000026 0.1030403 D 2.5348547D-01 0.0000009 0.0000380 0.0100519 F 4F BASIS/ORB.ENERGY -11.2009760 F 1.8529220D+03 0.0001728 F 6.2477669D+02 0.0015964 F 2.6468871D+02 0.0093345 F 1.2638692D+02 0.0374326 F 6.4359043D+01 0.1062376 F 3.4315364D+01 0.2170160 F 1.8722787D+01 0.3100045 F 1.0314666D+01 0.3170161 F 5.5034564D+00 0.2622780 F 4.4707126D+00 -0.0899476 F 3.3690040D+00 0.1120381 F 1.7461726D+00 0.0167009 F 8.0733808D-01 0.0007418