1 83232834340 1 3 1000.0000 7 0 0 2 p 3 p 0 f 0 h 0 k 0 s 0 d 0 p i s2p3 e= -75057.449 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 4p e= -74998.248 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 5p e= -74988.608 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 6p e= -74984.935 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 7p e= -74983.111 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 8p e= -74982.071 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 9p e= -74981.420 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 4f e= -74986.399 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 5f e= -74983.906 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 6f e= -74982.546 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 7f e= -74981.727 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 8f e= -74981.195 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 9f e= -74980.831 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 6h e= -74982.514 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 7h e= -74981.706 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 8h e= -74981.180 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 9h e= -74980.821 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 p i s2p2 8k e= -74981.180 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 p i s2p2 9k e= -74980.820 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 4s e= -74932.076 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 5s e= -74915.550 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 6s e= -74910.241 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 7s e= -74907.810 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 8s e= -74906.491 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 9s e= -74905.695 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 3d e= -74918.496 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 4d e= -74911.549 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 5d e= -74908.462 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 6d e= -74906.867 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 7d e= -74905.933 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 8d e= -74905.338 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 9d e= -74904.936 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 4s e= -75008.139 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 5s e= -74991.586 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 6s e= -74986.249 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 7s e= -74983.806 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 8s e= -74982.483 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 9s e= -74981.684 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 3d e= -74993.949 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 4d e= -74987.303 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 5d e= -74984.331 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 6d e= -74982.785 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 7d e= -74981.876 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 8d e= -74981.295 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 9d e= -74980.901 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 5g e= -74983.859 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 6g e= -74982.517 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 7g e= -74981.708 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 8g e= -74981.182 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 9g e= -74980.822 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 p i s2p2 7i e= -74981.705 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 p i s2p2 8i e= -74981.180 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 p i s2p2 9i e= -74980.821 1 p 4 s 0 d 0 g 0 i 0 p 0 f 0 p i sp4 e= -74980.563 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 4p e= -74922.645 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 5p e= -74912.740 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 6p e= -74909.001 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 7p e= -74907.153 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 8p e= -74906.101 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 9p e= -74905.445 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 4f e= -74910.416 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 5f e= -74907.922 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 6f e= -74906.562 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 7f e= -74905.742 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 8f e= -74905.210 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 9f e= -74904.846 i s2p3 3 00 4099861 27072 00 00xr99999999 i s2p2 4p 7 5920070 4576251 32952 2032 478503xr99999999 204294 171054 i s2p2 5p 7 6884070 4595651 33182 752 157623xr99999999 67814 59164 i s2p2 6p 7 7251410 4601121 33252 362 71833xr99999999 31124 27654 i s2p2 7p 7 7433780 4603241 33282 202 38843xr99999999 16904 15164 i s2p2 8p 7 7537830 4604241 33292 122 23393xr99999999 10214 9214 i s2p2 9p 7 7602870 4604771 33302 82 15183xr99999999 6644 6014 i s2p2 4f 7 7104960 4605571 33312 02 45423xr99999999 1254 814 i s2p2 5f 7 7354320 4605611 33312 02 23583xr99999999 1084 704 i s2p2 6f 7 7490240 4605651 33312 02 13813xr99999999 804 514 i s2p2 7f 7 7572190 4605681 33312 02 8783xr99999999 574 374 i s2p2 8f 7 7625340 4605701 33312 02 5933xr99999999 424 274 i s2p2 9f 7 7661760 4605721 33312 02 4193xr99999999 314 204 i s2p2 6h 7 7493470 4605751 33312 02 3393xr99999999 04 04 i s2p2 7h 7 7574330 4605751 33312 02 2133xr99999999 04 04 i s2p2 8h 7 7626830 4605751 33312 02 1433xr99999999 04 04 i s2p2 9h 7 7662820 4605751 33312 02 1003xr99999999 04 04 i s2p2 8k 7 7626840 4605751 33312 02 563xr99999999 04 04 i s2p2 9k 7 7662830 4605751 33312 02 393xr99999999 04 04 i sp3 4s 6 12537250 4601191 33712 6461324 233844xr99999999 278264 i sp3 5s 6 14189910 4653331 34222 6516074 62694xr99999999 70364 i sp3 6s 6 14720760 4663681 34332 6527304 25454xr99999999 28334 i sp3 7s 6 14963910 4667101 34372 6531044 12794xr99999999 14204 i sp3 8s 6 15095810 4668551 34392 6532664 7324xr99999999 8124 i sp3 9s 6 15175420 4669291 34402 6533464 4574xr99999999 5074 i sp3 3d 9 13895320 4625541 33932 22 703653xr99999999 6486454 306604 579054 330414 i sp3 4d 9 14589950 4643011 34092 12 379603xr99999999 6504244 227844 389274 225964 i sp3 5d 9 14898680 4657191 34252 12 181753xr99999999 6519814 119444 195354 114454 i sp3 6d 9 15058150 4663471 34322 02 95893xr99999999 6526844 65424 104564 61594 i sp3 7d 9 15151560 4666391 34362 02 56053xr99999999 6530144 38974 61444 36314 i sp3 8d 9 15211080 4667901 34382 02 35463xr99999999 6531854 24934 38964 23074 i sp3 9d 9 15251310 4668761 34392 02 23823xr99999999 6532824 16864 26194 15544 2p3 -s2p2 4p 2 1.44315 6.03775 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 5p 2 0.81025 3.34055 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 6p 2 0.54235 2.22315 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 7p 2 0.39705 1.62275 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 8p 2 0.30745 1.25395 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 9p 2 0.24735 1.00755 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 4f 1 -0.56155 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 5f 1 -0.52995 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 6f 1 -0.45815 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 7f 1 -0.39145 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 8f 1 -0.33625 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 9f 1 -0.29155 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 4s 3 3.27745 1.23195 0.37265 0.00005 0.00005xr99999999 2p3 -sp3 5s 3 1.66735 0.66125 0.19195 0.00005 0.00005xr99999999 2p3 -sp3 6s 3 1.05375 0.41525 0.11965 0.00005 0.00005xr99999999 2p3 -sp3 7s 3 0.74375 0.29105 0.08355 0.00005 0.00005xr99999999 2p3 -sp3 8s 3 0.56135 0.21855 0.06265 0.00005 0.00005xr99999999 2p3 -sp3 9s 3 0.44315 0.17205 0.04935 0.00005 0.00005xr99999999 2p3 -sp3 3d 2 18.37435 11.84365 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 4d 2 15.15045 10.18085 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 5d 2 10.74605 7.35875 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 6d 2 7.86125 5.43895 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 7d 2 6.02425 4.19425 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 8d 2 4.79535 3.35245 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 9d 2 3.93085 2.75605 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 5p 4 0.00005 2.32925 1.17505 1.00275 0.00005xr99999999 2p2 4p -s2p2 6p 4 0.00005 1.50535 0.79485 0.68345 0.00005xr99999999 2p2 4p -s2p2 7p 4 0.00005 1.08455 0.58515 0.50505 0.00005xr99999999 2p2 4p -s2p2 8p 4 0.00005 0.83185 0.45455 0.39325 0.00005xr99999999 2p2 4p -s2p2 9p 4 0.00005 0.66505 0.36645 0.31745 0.00005xr99999999 2p2 4p -s2p2 4f 2 0.81305 -0.01275 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 5f 2 0.64575 -0.01435 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 6f 2 0.50945 -0.01355 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 7f 2 0.41165 -0.01215 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 8f 2 0.34065 -0.01075 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 9f 2 0.28755 -0.00955 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 4s 2 10.53825 1.97775 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 5s 2 1.66925 1.01185 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 6s 2 0.93635 0.64065 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 7s 2 0.62115 0.45255 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 8s 2 0.45165 0.34175 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 9s 2 0.34765 0.26985 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 3d 2 -4.63535 1.69365 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 4d 2 0.27305 1.53275 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 5d 2 1.03285 1.13505 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 6d 2 1.03205 0.84965 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 7d 2 0.90775 0.66005 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 8d 2 0.78075 0.53015 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 9d 2 0.67255 0.43725 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 6p 4 0.00005 0.99685 0.45935 0.40435 0.00005xr99999999 2p2 5p -s2p2 7p 4 0.00005 0.71635 0.33845 0.29925 0.00005xr99999999 2p2 5p -s2p2 8p 4 0.00005 0.54915 0.26295 0.23315 0.00005xr99999999 2p2 5p -s2p2 9p 4 0.00005 0.43905 0.21205 0.18835 0.00005xr99999999 2p2 5p -s2p2 4f 2 0.05325 -0.00295 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 5f 2 0.16405 -0.00415 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 6f 2 0.16195 -0.00415 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 7f 2 0.14385 -0.00385 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 8f 2 0.12535 -0.00355 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 9f 2 0.10925 -0.00315 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 4s 2 5.30265 1.15885 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 5s 2 3.16215 0.59435 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 6s 2 0.86075 0.37665 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 7s 2 0.55575 0.26615 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 8s 2 0.39865 0.20105 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 9s 2 0.30465 0.15885 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 3d 2 -1.12355 0.93115 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 4d 2 -1.41165 0.84855 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 5d 2 -0.05685 0.63045 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 6d 2 0.21295 0.47265 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 7d 2 0.26535 0.36755 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 8d 2 0.26065 0.29545 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 9d 2 0.24075 0.24375 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 7p 4 0.00005 0.51135 0.22945 0.20475 0.00005xr99999999 2p2 6p -s2p2 8p 4 0.00005 0.39155 0.17835 0.15965 0.00005xr99999999 2p2 6p -s2p2 9p 4 0.00005 0.31305 0.14385 0.12895 0.00005xr99999999 2p2 6p -s2p2 4f 2 0.05725 -0.00075 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 5f 2 0.04305 -0.00165 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 6f 2 0.06275 -0.00185 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 7f 2 0.06275 -0.00185 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 8f 2 0.05785 -0.00165 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 9f 2 0.05215 -0.00155 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 4s 2 3.45285 0.79025 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 5s 2 2.02655 0.40575 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 6s 2 1.33065 0.25715 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 7s 2 0.48615 0.18185 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 8s 2 0.34175 0.13735 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 9s 2 0.25835 0.10845 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 3d 2 -0.62825 0.61805 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 4d 2 -0.51055 0.56485 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 5d 2 -0.56935 0.42025 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 6d 2 -0.07855 0.31535 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 7d 2 0.03935 0.24535 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 8d 2 0.07605 0.19725 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 9d 2 0.08595 0.16275 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 8p 4 0.00005 0.29595 0.13145 0.11825 0.00005xr99999999 2p2 7p -s2p2 9p 4 0.00005 0.23645 0.10605 0.09555 0.00005xr99999999 2p2 7p -s2p2 4f 2 0.04155 -0.00015 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 5f 2 0.03965 -0.00075 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 6f 2 0.02995 -0.00095 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 7f 2 0.03305 -0.00105 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 8f 2 0.03205 -0.00095 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 9f 2 0.02965 -0.00095 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 4s 2 2.49695 0.58435 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 5s 2 1.46515 0.30015 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 6s 2 0.95775 0.19035 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 7s 2 0.67815 0.13455 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 8s 2 0.29825 0.10165 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 9s 2 0.22195 0.08035 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 3d 2 -0.42085 0.45045 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 4d 2 -0.31835 0.41235 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 5d 2 -0.24495 0.30695 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 6d 2 -0.28145 0.23045 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 7d 2 -0.06505 0.17935 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 8d 2 -0.00535 0.14415 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 9d 2 0.01805 0.11905 0.00005 0.00005 0.00005xr99999999 2p2 8p -s2p2 9p 4 0.00005 0.18635 0.08245 0.07455 0.00005xr99999999 2p2 8p -s2p2 4f 2 0.03155 0.00015 0.00005 0.00005 0.00005xr99999999 2p2 8p -s2p2 5f 2 0.03065 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 8p -s2p2 6f 2 0.02655 -0.00065 0.00005 0.00005 0.00005xr99999999 2p2 8p -s2p2 7f 2 0.02075 -0.00065 0.00005 0.00005 0.00005xr99999999 2p2 8p -s2p2 8f 2 0.02045 -0.00065 0.00005 0.00005 0.00005xr99999999 2p2 8p -s2p2 9f 2 0.01925 -0.00065 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 4s 2 1.91915 0.45505 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 5s 2 1.12745 0.23385 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 6s 2 0.73865 0.14825 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 7s 2 0.52265 0.10485 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 8s 2 0.39065 0.07925 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 9s 2 0.19525 0.06255 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 3d 2 -0.30865 0.34775 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 4d 2 -0.22705 0.31865 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 5d 2 -0.16315 0.23735 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 6d 2 -0.13495 0.17825 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 7d 2 -0.15955 0.13875 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 8d 2 -0.04995 0.11155 0.00005 0.00005 0.00005xr99999999 2p2 8p -sp3 9d 2 -0.01655 0.09205 0.00005 0.00005 0.00005xr99999999 2p2 9p -s2p2 4f 2 0.02495 0.00025 0.00005 0.00005 0.00005xr99999999 2p2 9p -s2p2 5f 2 0.02435 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 9p -s2p2 6f 2 0.02135 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 9p -s2p2 7f 2 0.01825 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 9p -s2p2 8f 2 0.01475 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 9p -s2p2 9f 2 0.01385 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 4s 2 1.53645 0.36755 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 5s 2 0.90395 0.18895 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 6s 2 0.59335 0.11985 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 7s 2 0.42095 0.08475 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 8s 2 0.31485 0.06405 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 9s 2 0.24505 0.05055 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 3d 2 -0.23935 0.27925 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 4d 2 -0.17365 0.25605 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 5d 2 -0.12125 0.19075 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 6d 2 -0.09405 0.14325 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 7d 2 -0.08285 0.11155 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 8d 2 -0.09935 0.08965 0.00005 0.00005 0.00005xr99999999 2p2 9p -sp3 9d 2 -0.03805 0.07405 0.00005 0.00005 0.00005xr99999999 2p2 4f -s2p2 5f 4 0.00005 0.26625 0.01175 0.00755 0.00005xr99999999 2p2 4f -s2p2 6f 4 0.00005 0.18825 0.01005 0.00655 0.00005xr99999999 2p2 4f -s2p2 7f 4 0.00005 0.14385 0.00855 0.00555 0.00005xr99999999 2p2 4f -s2p2 8f 4 0.00005 0.11515 0.00735 0.00475 0.00005xr99999999 2p2 4f -s2p2 9f 4 0.00005 0.09515 0.00635 0.00415 0.00005xr99999999 2p2 4f -s2p2 6h 2 0.05345 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 4f -s2p2 7h 2 0.05195 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 4f -s2p2 8h 2 0.04635 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 4f -s2p2 9h 2 0.04065 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 4f -sp3 3d 2 -2.56485 -0.14565 0.00005 0.00005 0.00005xr99999999 2p2 4f -sp3 4d 2 0.64785 -0.11805 0.00005 0.00005 0.00005xr99999999 2p2 4f -sp3 5d 2 0.16575 -0.08285 0.00005 0.00005 0.00005xr99999999 2p2 4f -sp3 6d 2 0.10815 -0.06035 0.00005 0.00005 0.00005xr99999999 2p2 4f -sp3 7d 2 0.08065 -0.04605 0.00005 0.00005 0.00005xr99999999 2p2 4f -sp3 8d 2 0.06385 -0.03665 0.00005 0.00005 0.00005xr99999999 2p2 4f -sp3 9d 2 0.05245 -0.03005 0.00005 0.00005 0.00005xr99999999 2p2 5f -s2p2 6f 4 0.00005 0.16615 0.00935 0.00605 0.00005xr99999999 2p2 5f -s2p2 7f 4 0.00005 0.12745 0.00795 0.00515 0.00005xr99999999 2p2 5f -s2p2 8f 4 0.00005 0.10235 0.00685 0.00445 0.00005xr99999999 2p2 5f -s2p2 9f 4 0.00005 0.08475 0.00595 0.00385 0.00005xr99999999 2p2 5f -s2p2 6h 2 -0.01265 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 5f -s2p2 7h 2 0.00185 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 5f -s2p2 8h 2 0.00705 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 5f -s2p2 9h 2 0.00875 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 5f -sp3 3d 2 -1.93525 -0.13825 0.00005 0.00005 0.00005xr99999999 2p2 5f -sp3 4d 2 -0.23995 -0.11235 0.00005 0.00005 0.00005xr99999999 2p2 5f -sp3 5d 2 0.44675 -0.07895 0.00005 0.00005 0.00005xr99999999 2p2 5f -sp3 6d 2 0.13715 -0.05755 0.00005 0.00005 0.00005xr99999999 2p2 5f -sp3 7d 2 0.09265 -0.04395 0.00005 0.00005 0.00005xr99999999 2p2 5f -sp3 8d 2 0.07035 -0.03495 0.00005 0.00005 0.00005xr99999999 2p2 5f -sp3 9d 2 0.05655 -0.02865 0.00005 0.00005 0.00005xr99999999 2p2 6f -s2p2 7f 4 0.00005 0.10555 0.00685 0.00445 0.00005xr99999999 2p2 6f -s2p2 8f 4 0.00005 0.08485 0.00585 0.00385 0.00005xr99999999 2p2 6f -s2p2 9f 4 0.00005 0.07035 0.00505 0.00335 0.00005xr99999999 2p2 6f -s2p2 6h 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6f -s2p2 7h 2 -0.00575 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6f -s2p2 8h 2 -0.00245 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6f -s2p2 9h 2 -0.00035 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6f -sp3 3d 2 -1.50095 -0.11985 0.00005 0.00005 0.00005xr99999999 2p2 6f -sp3 4d 2 -0.34355 -0.09755 0.00005 0.00005 0.00005xr99999999 2p2 6f -sp3 5d 2 0.12775 -0.06865 0.00005 0.00005 0.00005xr99999999 2p2 6f -sp3 6d 2 0.27875 -0.04995 0.00005 0.00005 0.00005xr99999999 2p2 6f -sp3 7d 2 0.10135 -0.03825 0.00005 0.00005 0.00005xr99999999 2p2 6f -sp3 8d 2 0.07175 -0.03035 0.00005 0.00005 0.00005xr99999999 2p2 6f -sp3 9d 2 0.05585 -0.02485 0.00005 0.00005 0.00005xr99999999 2p2 7f -s2p2 8f 4 0.00005 0.07045 0.00505 0.00325 0.00005xr99999999 2p2 7f -s2p2 9f 4 0.00005 0.05845 0.00435 0.00285 0.00005xr99999999 2p2 7f -s2p2 6h 2 0.00015 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7f -s2p2 7h 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7f -s2p2 8h 2 -0.00275 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7f -s2p2 9h 2 -0.00195 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7f -sp3 3d 2 -1.20415 -0.10265 0.00005 0.00005 0.00005xr99999999 2p2 7f -sp3 4d 2 -0.33505 -0.08355 0.00005 0.00005 0.00005xr99999999 2p2 7f -sp3 5d 2 0.03115 -0.05885 0.00005 0.00005 0.00005xr99999999 2p2 7f -sp3 6d 2 0.14385 -0.04285 0.00005 0.00005 0.00005xr99999999 2p2 7f -sp3 7d 2 0.17835 -0.03275 0.00005 0.00005 0.00005xr99999999 2p2 7f -sp3 8d 2 0.07415 -0.02605 0.00005 0.00005 0.00005xr99999999 2p2 7f -sp3 9d 2 0.05475 -0.02135 0.00005 0.00005 0.00005xr99999999 2p2 8f -s2p2 9f 4 0.00005 0.04915 0.00375 0.00245 0.00005xr99999999 2p2 8f -s2p2 6h 2 0.00025 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8f -s2p2 7h 2 0.00015 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8f -s2p2 8h 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8f -s2p2 9h 2 -0.00135 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8f -sp3 3d 2 -0.99285 -0.08825 0.00005 0.00005 0.00005xr99999999 2p2 8f -sp3 4d 2 -0.30445 -0.07195 0.00005 0.00005 0.00005xr99999999 2p2 8f -sp3 5d 2 -0.00705 -0.05065 0.00005 0.00005 0.00005xr99999999 2p2 8f -sp3 6d 2 0.08725 -0.03685 0.00005 0.00005 0.00005xr99999999 2p2 8f -sp3 7d 2 0.11305 -0.02825 0.00005 0.00005 0.00005xr99999999 2p2 8f -sp3 8d 2 0.11915 -0.02245 0.00005 0.00005 0.00005xr99999999 2p2 8f -sp3 9d 2 0.05505 -0.01835 0.00005 0.00005 0.00005xr99999999 2p2 9f -s2p2 6h 2 0.00025 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9f -s2p2 7h 2 0.00015 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9f -s2p2 8h 2 0.00015 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9f -s2p2 9h 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9f -sp3 3d 2 -0.83675 -0.07665 0.00005 0.00005 0.00005xr99999999 2p2 9f -sp3 4d 2 -0.27185 -0.06245 0.00005 0.00005 0.00005xr99999999 2p2 9f -sp3 5d 2 -0.02335 -0.04395 0.00005 0.00005 0.00005xr99999999 2p2 9f -sp3 6d 2 0.05735 -0.03205 0.00005 0.00005 0.00005xr99999999 2p2 9f -sp3 7d 2 0.08045 -0.02455 0.00005 0.00005 0.00005xr99999999 2p2 9f -sp3 8d 2 0.08415 -0.01945 0.00005 0.00005 0.00005xr99999999 2p2 9f -sp3 9d 2 0.08295 -0.01595 0.00005 0.00005 0.00005xr99999999 2p2 6h -s2p2 7h 4 0.00005 0.01935 0.00005 0.00005 0.00005xr99999999 2p2 6h -s2p2 8h 4 0.00005 0.01365 0.00005 0.00005 0.00005xr99999999 2p2 6h -s2p2 9h 4 0.00005 0.01045 0.00005 0.00005 0.00005xr99999999 2p2 6h -s2p2 8k 2 0.00775 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6h -s2p2 9k 2 0.00775 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7h -s2p2 8h 4 0.00005 0.01495 0.00005 0.00005 0.00005xr99999999 2p2 7h -s2p2 9h 4 0.00005 0.01155 0.00005 0.00005 0.00005xr99999999 2p2 7h -s2p2 8k 2 -0.00175 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7h -s2p2 9k 2 0.00125 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8h -s2p2 9h 4 0.00005 0.01095 0.00005 0.00005 0.00005xr99999999 2p2 8h -s2p2 8k 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8h -s2p2 9k 2 -0.00105 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9h -s2p2 8k 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9h -s2p2 9k 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8k -s2p2 9k 4 0.00005 0.00315 0.00005 0.00005 0.00005xr99999999 p3 4s -sp3 5s 4 0.00005 1.20975 0.00005 1.38475 0.00005xr99999999 p3 4s -sp3 6s 4 0.00005 0.77025 0.00005 0.87295 0.00005xr99999999 p3 4s -sp3 7s 4 0.00005 0.54575 0.00005 0.61595 0.00005xr99999999 p3 4s -sp3 8s 4 0.00005 0.41285 0.00005 0.46495 0.00005xr99999999 p3 4s -sp3 9s 4 0.00005 0.32645 0.00005 0.36705 0.00005xr99999999 p3 4s -sp3 3d 2 -4.45755 -0.49735 0.00005 0.00005 0.00005xr99999999 p3 4s -sp3 4d 2 -2.15185 -0.16875 0.00005 0.00005 0.00005xr99999999 p3 4s -sp3 5d 2 -1.06825 -0.03165 0.00005 0.00005 0.00005xr99999999 p3 4s -sp3 6d 2 -0.60655 0.01155 0.00005 0.00005 0.00005xr99999999 p3 4s -sp3 7d 2 -0.38545 0.02465 0.00005 0.00005 0.00005xr99999999 p3 4s -sp3 8d 2 -0.26575 0.02775 0.00005 0.00005 0.00005xr99999999 p3 4s -sp3 9d 2 -0.19445 0.02745 0.00005 0.00005 0.00005xr99999999 p3 5s -sp3 6s 4 0.00005 0.39945 0.00005 0.44615 0.00005xr99999999 p3 5s -sp3 7s 4 0.00005 0.28315 0.00005 0.31565 0.00005xr99999999 p3 5s -sp3 8s 4 0.00005 0.21425 0.00005 0.23855 0.00005xr99999999 p3 5s -sp3 9s 4 0.00005 0.16945 0.00005 0.18855 0.00005xr99999999 p3 5s -sp3 3d 2 -1.25795 -0.26725 0.00005 0.00005 0.00005xr99999999 p3 5s -sp3 4d 2 -1.24225 -0.11205 0.00005 0.00005 0.00005xr99999999 p3 5s -sp3 5d 2 -0.75565 -0.03915 0.00005 0.00005 0.00005xr99999999 p3 5s -sp3 6d 2 -0.49135 -0.01265 0.00005 0.00005 0.00005xr99999999 p3 5s -sp3 7d 2 -0.34625 -0.00235 0.00005 0.00005 0.00005xr99999999 p3 5s -sp3 8d 2 -0.25945 0.00205 0.00005 0.00005 0.00005xr99999999 p3 5s -sp3 9d 2 -0.20335 0.00385 0.00005 0.00005 0.00005xr99999999 p3 6s -sp3 7s 4 0.00005 0.18045 0.00005 0.20065 0.00005xr99999999 p3 6s -sp3 8s 4 0.00005 0.13655 0.00005 0.15165 0.00005xr99999999 p3 6s -sp3 9s 4 0.00005 0.10805 0.00005 0.11995 0.00005xr99999999 p3 6s -sp3 3d 2 -0.73275 -0.17635 0.00005 0.00005 0.00005xr99999999 p3 6s -sp3 4d 2 -0.61895 -0.07925 0.00005 0.00005 0.00005xr99999999 p3 6s -sp3 5d 2 -0.48665 -0.03145 0.00005 0.00005 0.00005xr99999999 p3 6s -sp3 6d 2 -0.33545 -0.01315 0.00005 0.00005 0.00005xr99999999 p3 6s -sp3 7d 2 -0.24405 -0.00555 0.00005 0.00005 0.00005xr99999999 p3 6s -sp3 8d 2 -0.18675 -0.00205 0.00005 0.00005 0.00005xr99999999 p3 6s -sp3 9d 2 -0.14865 -0.00035 0.00005 0.00005 0.00005xr99999999 p3 7s -sp3 8s 4 0.00005 0.09685 0.00005 0.10745 0.00005xr99999999 p3 7s -sp3 9s 4 0.00005 0.07655 0.00005 0.08495 0.00005xr99999999 p3 7s -sp3 3d 2 -0.49815 -0.12755 0.00005 0.00005 0.00005xr99999999 p3 7s -sp3 4d 2 -0.41745 -0.05915 0.00005 0.00005 0.00005xr99999999 p3 7s -sp3 5d 2 -0.30185 -0.02465 0.00005 0.00005 0.00005xr99999999 p3 7s -sp3 6d 2 -0.23565 -0.01115 0.00005 0.00005 0.00005xr99999999 p3 7s -sp3 7d 2 -0.17585 -0.00535 0.00005 0.00005 0.00005xr99999999 p3 7s -sp3 8d 2 -0.13645 -0.00265 0.00005 0.00005 0.00005xr99999999 p3 7s -sp3 9d 2 -0.10955 -0.00125 0.00005 0.00005 0.00005xr99999999 p3 8s -sp3 9s 4 0.00005 0.05795 0.00005 0.06425 0.00005xr99999999 p3 8s -sp3 3d 2 -0.36815 -0.09765 0.00005 0.00005 0.00005xr99999999 p3 8s -sp3 4d 2 -0.30795 -0.04605 0.00005 0.00005 0.00005xr99999999 p3 8s -sp3 5d 2 -0.22115 -0.01975 0.00005 0.00005 0.00005xr99999999 p3 8s -sp3 6d 2 -0.16405 -0.00925 0.00005 0.00005 0.00005xr99999999 p3 8s -sp3 7d 2 -0.13145 -0.00475 0.00005 0.00005 0.00005xr99999999 p3 8s -sp3 8d 2 -0.10335 -0.00255 0.00005 0.00005 0.00005xr99999999 p3 8s -sp3 9d 2 -0.08355 -0.00135 0.00005 0.00005 0.00005xr99999999 p3 9s -sp3 3d 2 -0.28665 -0.07785 0.00005 0.00005 0.00005xr99999999 p3 9s -sp3 4d 2 -0.23985 -0.03705 0.00005 0.00005 0.00005xr99999999 p3 9s -sp3 5d 2 -0.17185 -0.01615 0.00005 0.00005 0.00005xr99999999 p3 9s -sp3 6d 2 -0.12685 -0.00775 0.00005 0.00005 0.00005xr99999999 p3 9s -sp3 7d 2 -0.09825 -0.00405 0.00005 0.00005 0.00005xr99999999 p3 9s -sp3 8d 2 -0.08075 -0.00225 0.00005 0.00005 0.00005xr99999999 p3 9s -sp3 9d 2 -0.06585 -0.00135 0.00005 0.00005 0.00005xr99999999 p3 3d -sp3 4d 6 0.00005 2.63935 0.00005 4.56635 4.72915xr99999999 2.71935 p3 3d -sp3 5d 6 0.00005 1.90785 0.00005 2.94185 3.33415xr99999999 1.92425 p3 3d -sp3 6d 6 0.00005 1.41025 0.00005 2.04725 2.43135xr99999999 1.40595 p3 3d -sp3 7d 6 0.00005 1.08765 0.00005 1.52305 1.85985xr99999999 1.07665 p3 3d -sp3 8d 6 0.00005 0.86945 0.00005 1.18905 1.47875xr99999999 0.85665 p3 3d -sp3 9d 6 0.00005 0.71485 0.00005 0.96165 1.21125xr99999999 0.70205 p3 4d -sp3 5d 6 0.00005 1.64925 0.00005 2.52885 2.75505xr99999999 1.60645 p3 4d -sp3 6d 6 0.00005 1.21995 0.00005 1.79155 2.01315xr99999999 1.17665 p3 4d -sp3 7d 6 0.00005 0.94135 0.00005 1.34685 1.54175xr99999999 0.90245 p3 4d -sp3 8d 6 0.00005 0.75275 0.00005 1.05885 1.22685xr99999999 0.71875 p3 4d -sp3 9d 6 0.00005 0.61895 0.00005 0.86055 1.00545xr99999999 0.58935 p3 5d -sp3 6d 6 0.00005 0.88395 0.00005 1.29815 1.42895xr99999999 0.83935 p3 5d -sp3 7d 6 0.00005 0.68225 0.00005 0.98145 1.09495xr99999999 0.64425 p3 5d -sp3 8d 6 0.00005 0.54555 0.00005 0.77435 0.87165xr99999999 0.51335 p3 5d -sp3 9d 6 0.00005 0.44875 0.00005 0.63095 0.71455xr99999999 0.42115 p3 6d -sp3 7d 6 0.00005 0.50505 0.00005 0.72655 0.80155xr99999999 0.47295 p3 6d -sp3 8d 6 0.00005 0.40395 0.00005 0.57445 0.63815xr99999999 0.37695 p3 6d -sp3 9d 6 0.00005 0.33225 0.00005 0.46875 0.52325xr99999999 0.30925 p3 7d -sp3 8d 6 0.00005 0.31185 0.00005 0.44345 0.48935xr99999999 0.28955 p3 7d -sp3 9d 6 0.00005 0.25645 0.00005 0.36215 0.40125xr99999999 0.23755 p3 8d -sp3 9d 6 0.00005 0.20515 0.00005 0.28965 0.31955xr99999999 0.18945 i s2p3 p i s2p3 -7.56740( 3p//r2// 3p)1.0000xr 100 100 i s2p3 p i s2p2 4p 5.25498( 3p//r2// 4p)-0.817xr 0 0 i s2p3 p i s2p2 5p 2.30854( 3p//r2// 5p)-0.712xr 0 0 i s2p3 p i s2p2 6p 1.41156( 3p//r2// 6p)-0.661xr 0 0 i s2p3 p i s2p2 7p 0.98659( 3p//r2// 7p)-0.634xr 0 0 i s2p3 p i s2p2 8p 0.74254( 3p//r2// 8p)-0.619xr 0 0 i s2p3 p i s2p2 9p 0.58609( 3p//r2// 9p)-0.608xr 0 0 i s2p3 p i s2p2 4f -2.02280( 3p//r2// 4f)-1.000xr -4-100 i s2p3 p i s2p2 5f -1.67584( 3p//r2// 5f)-1.000xr -3-100 i s2p3 p i s2p2 6f -1.34996( 3p//r2// 6f)-0.999xr -2-100 i s2p3 p i s2p2 7f -1.10432( 3p//r2// 7f)-0.998xr -2-100 i s2p3 p i s2p2 8f -0.92111( 3p//r2// 8f)-0.998xr -2-100 i s2p3 p i s2p2 9f -0.78201( 3p//r2// 9f)-0.997xr -1-100 i s2p3 p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p3 p i sp3 3d 2.93576( 3s//r2// 3d)0.9997xr 30 99 i s2p3 p i sp3 4d 2.03554( 3s//r2// 4d)0.9941xr 25 98 i s2p3 p i sp3 5d 1.31891( 3s//r2// 5d)0.9774xr 17 98 i s2p3 p i sp3 6d 0.91551( 3s//r2// 6d)0.9603xr 12 98 i s2p3 p i sp3 7d 0.67880( 3s//r2// 7d)0.9466xr 9 98 i s2p3 p i sp3 8d 0.52844( 3s//r2// 8d)0.9360xr 7 98 i s2p3 p i sp3 9d 0.42639( 3s//r2// 9d)0.9279xr 6 97 i s2p2 4p p i s2p3 5.25498( 4p//r2// 3p)-0.817xr 0 0 i s2p2 4p p i s2p2 4p -95.23013( 4p//r2// 4p)1.0000xr 100 100 i s2p2 4p p i s2p2 5p 64.55241( 4p//r2// 5p)-0.712xr 0 0 i s2p2 4p p i s2p2 6p 19.84098( 4p//r2// 6p)-0.384xr 0 -1 i s2p2 4p p i s2p2 7p 10.61748( 4p//r2// 7p)-0.293xr 0 -1 i s2p2 4p p i s2p2 8p 6.97308( 4p//r2// 8p)-0.254xr 0 -1 i s2p2 4p p i s2p2 9p 5.08141( 4p//r2// 9p)-0.232xr 0 -2 i s2p2 4p p i s2p2 4f 128.77545( 4p//r2// 4f)0.9999xr 58 100 i s2p2 4p p i s2p2 5f 48.70114( 4p//r2// 5f)0.6971xr 35 93 i s2p2 4p p i s2p2 6f 26.69316( 4p//r2// 6f)0.5433xr 24 88 i s2p2 4p p i s2p2 7f 17.45111( 4p//r2// 7f)0.4651xr 18 85 i s2p2 4p p i s2p2 8f 12.60307( 4p//r2// 8f)0.4196xr 14 83 i s2p2 4p p i s2p2 9f 9.69146( 4p//r2// 9f)0.3907xr 11 81 i s2p2 4p p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4p p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i s2p3 2.30854( 5p//r2// 3p)-0.712xr 0 0 i s2p2 5p p i s2p2 4p 64.55241( 5p//r2// 4p)-0.712xr 0 0 i s2p2 5p p i s2p2 5p -395.07160( 5p//r2// 5p)1.0000xr 100 100 i s2p2 5p p i s2p2 6p 229.14392( 5p//r2// 6p)-0.641xr 0 0 i s2p2 5p p i s2p2 7p 64.64180( 5p//r2// 7p)-0.290xr 0 -1 i s2p2 5p p i s2p2 8p 33.01371( 5p//r2// 8p)-0.202xr 0 -1 i s2p2 5p p i s2p2 9p 21.10029( 5p//r2// 9p)-0.165xr 0 -1 i s2p2 5p p i s2p2 4f -464.54974( 5p//r2// 4f)-0.981xr -81 -86 i s2p2 5p p i s2p2 5f 283.40938( 5p//r2// 5f)0.7036xr 15 27 i s2p2 5p p i s2p2 6f 127.07868( 5p//r2// 6f)0.4947xr 15 41 i s2p2 5p p i s2p2 7f 74.44167( 5p//r2// 7f)0.3874xr 12 44 i s2p2 5p p i s2p2 8f 50.42439( 5p//r2// 8f)0.3303xr 10 46 i s2p2 5p p i s2p2 9f 37.23702( 5p//r2// 9f)0.2966xr 8 46 i s2p2 5p p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5p p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i s2p3 1.41156( 6p//r2// 3p)-0.661xr 0 0 i s2p2 6p p i s2p2 4p 19.84098( 6p//r2// 4p)-0.384xr 0 -1 i s2p2 6p p i s2p2 5p 229.14392( 6p//r2// 5p)-0.641xr 0 0 i s2p2 6p p i s2p2 6p -1104.74699( 6p//r2// 6p)1.0000xr 100 100 i s2p2 6p p i s2p2 7p 581.34825( 6p//r2// 7p)-0.597xr 0 0 i s2p2 6p p i s2p2 8p 155.65750( 6p//r2// 8p)-0.241xr 0 0 i s2p2 6p p i s2p2 9p 76.94371( 6p//r2// 9p)-0.159xr 0 0 i s2p2 6p p i s2p2 4f 329.51103( 6p//r2// 4f)0.6705xr 10 15 i s2p2 6p p i s2p2 5f -1401.64543( 6p//r2// 5f)-0.998xr -91 -94 i s2p2 6p p i s2p2 6f 517.96357( 6p//r2// 6f)0.4823xr -3 -5 i s2p2 6p p i s2p2 7f 246.43896( 6p//r2// 7f)0.3393xr 4 9 i s2p2 6p p i s2p2 8f 147.92661( 6p//r2// 8f)0.2645xr 5 15 i s2p2 6p p i s2p2 9f 101.50690( 6p//r2// 9f)0.2239xr 4 18 i s2p2 6p p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6p p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i s2p3 0.98659( 7p//r2// 3p)-0.634xr 0 0 i s2p2 7p p i s2p2 4p 10.61748( 7p//r2// 4p)-0.293xr 0 -1 i s2p2 7p p i s2p2 5p 64.64180( 7p//r2// 5p)-0.290xr 0 -1 i s2p2 7p p i s2p2 6p 581.34825( 7p//r2// 6p)-0.597xr 0 0 i s2p2 7p p i s2p2 7p -2487.86409( 7p//r2// 7p)1.0000xr 100 100 i s2p2 7p p i s2p2 8p 1225.74051( 7p//r2// 8p)-0.566xr 0 0 i s2p2 7p p i s2p2 9p 316.15793( 7p//r2// 9p)-0.212xr 0 0 i s2p2 7p p i s2p2 4f 29.20973( 7p//r2// 4f)0.0917xr 1 4 i s2p2 7p p i s2p2 5f 1053.30180( 7p//r2// 5f)0.7091xr 16 22 i s2p2 7p p i s2p2 6f -3169.62180( 7p//r2// 6f)-0.999xr -93 -97 i s2p2 7p p i s2p2 7f 854.19885( 7p//r2// 7f)0.3564xr -12 -19 i s2p2 7p p i s2p2 8f 417.55799( 7p//r2// 8f)0.2477xr -2 -5 i s2p2 7p p i s2p2 9f 253.00261( 7p//r2// 9f)0.1915xr 0 0 i s2p2 7p p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7p p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i s2p3 0.74254( 8p//r2// 3p)-0.619xr 0 0 i s2p2 8p p i s2p2 4p 6.97308( 8p//r2// 4p)-0.254xr 0 -1 i s2p2 8p p i s2p2 5p 33.01371( 8p//r2// 5p)-0.202xr 0 -1 i s2p2 8p p i s2p2 6p 155.65750( 8p//r2// 6p)-0.241xr 0 0 i s2p2 8p p i s2p2 7p 1225.74051( 8p//r2// 7p)-0.566xr 0 0 i s2p2 8p p i s2p2 8p -4873.54684( 8p//r2// 8p)1.0000xr 100 100 i s2p2 8p p i s2p2 9p 2289.95414( 8p//r2// 9p)-0.545xr 0 0 i s2p2 8p p i s2p2 4f 11.62980( 8p//r2// 4f)0.0508xr 0 2 i s2p2 8p p i s2p2 5f 81.01321( 8p//r2// 5f)0.0801xr 3 7 i s2p2 8p p i s2p2 6f 2472.22608( 8p//r2// 6f)0.7370xr 21 28 i s2p2 8p p i s2p2 7f -6139.39235( 8p//r2// 7f)-0.997xr -93 -97 i s2p2 8p p i s2p2 8f 1315.12971( 8p//r2// 8f)0.2798xr -17 -26 i s2p2 8p p i s2p2 9f 652.20881( 8p//r2// 9f)0.1923xr -6 -13 i s2p2 8p p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8p p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i s2p3 0.58609( 9p//r2// 3p)-0.608xr 0 0 i s2p2 9p p i s2p2 4p 5.08141( 9p//r2// 4p)-0.232xr 0 -2 i s2p2 9p p i s2p2 5p 21.10029( 9p//r2// 5p)-0.165xr 0 -1 i s2p2 9p p i s2p2 6p 76.94371( 9p//r2// 6p)-0.159xr 0 0 i s2p2 9p p i s2p2 7p 316.15793( 9p//r2// 7p)-0.212xr 0 0 i s2p2 9p p i s2p2 8p 2289.95414( 9p//r2// 8p)-0.545xr 0 0 i s2p2 9p p i s2p2 9p -8656.52446( 9p//r2// 9p)1.0000xr 100 100 i s2p2 9p p i s2p2 4f 6.71134( 9p//r2// 4f)0.0376xr 0 1 i s2p2 9p p i s2p2 5f 30.39219( 9p//r2// 5f)0.0408xr 1 4 i s2p2 9p p i s2p2 6f 167.44293( 9p//r2// 6f)0.0706xr 5 10 i s2p2 9p p i s2p2 7f 4917.63742( 9p//r2// 7f)0.7579xr 25 33 i s2p2 9p p i s2p2 8f -10745.60818( 9p//r2// 8f)-0.994xr -92 -98 i s2p2 9p p i s2p2 9f 1925.35254( 9p//r2// 9f)0.2304xr -20 -29 i s2p2 9p p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9p p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i s2p3 -2.02280( 4f//r2// 3p)-1.000xr -4-100 i s2p2 4f p i s2p2 4p 128.77545( 4f//r2// 4p)0.9999xr 58 100 i s2p2 4f p i s2p2 5p -464.54974( 4f//r2// 5p)-0.981xr -81 -86 i s2p2 4f p i s2p2 6p 329.51103( 4f//r2// 6p)0.6705xr 10 15 i s2p2 4f p i s2p2 7p 29.20973( 4f//r2// 7p)0.0917xr 1 4 i s2p2 4f p i s2p2 8p 11.62980( 4f//r2// 8p)0.0508xr 0 2 i s2p2 4f p i s2p2 9p 6.71134( 4f//r2// 9p)0.0376xr 0 1 i s2p2 4f p i s2p2 4f -490.41540( 4f//r2// 4f)1.0000xr 100 100 i s2p2 4f p i s2p2 5f 322.96385( 4f//r2// 5f)-0.678xr 0 0 i s2p2 4f p i s2p2 6f 76.66034( 4f//r2// 6f)-0.252xr 0 0 i s2p2 4f p i s2p2 7f 35.61192( 4f//r2// 7f)-0.158xr 0 0 i s2p2 4f p i s2p2 8f 21.47601( 4f//r2// 8f)-0.121xr 0 0 i s2p2 4f p i s2p2 9f 14.81562( 4f//r2// 9f)-0.102xr 0 0 i s2p2 4f p i s2p2 6h 608.41721( 4f//r2// 6h)1.0000xr 44 100 i s2p2 4f p i s2p2 7h 326.94483( 4f//r2// 7h)0.8182xr 33 96 i s2p2 4f p i s2p2 8h 209.41018( 4f//r2// 8h)0.6885xr 25 91 i s2p2 4f p i s2p2 9h 149.36641( 4f//r2// 9h)0.6095xr 20 88 i s2p2 4f p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 4f p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i s2p3 -1.67584( 5f//r2// 3p)-1.000xr -3-100 i s2p2 5f p i s2p2 4p 48.70114( 5f//r2// 4p)0.6971xr 35 93 i s2p2 5f p i s2p2 5p 283.40938( 5f//r2// 5p)0.7036xr 15 27 i s2p2 5f p i s2p2 6p -1401.64543( 5f//r2// 6p)-0.998xr -91 -94 i s2p2 5f p i s2p2 7p 1053.30180( 5f//r2// 7p)0.7091xr 16 22 i s2p2 5f p i s2p2 8p 81.01321( 5f//r2// 8p)0.0801xr 3 7 i s2p2 5f p i s2p2 9p 30.39219( 5f//r2// 9p)0.0408xr 1 4 i s2p2 5f p i s2p2 4f 322.96385( 5f//r2// 4f)-0.678xr 0 0 i s2p2 5f p i s2p2 5f -1530.95099( 5f//r2// 5f)1.0000xr 100 100 i s2p2 5f p i s2p2 6f 872.01417( 5f//r2// 6f)-0.624xr 0 0 i s2p2 5f p i s2p2 7f 209.85590( 5f//r2// 7f)-0.223xr 0 0 i s2p2 5f p i s2p2 8f 97.28177( 5f//r2// 8f)-0.136xr 0 0 i s2p2 5f p i s2p2 9f 58.37141( 5f//r2// 9f)-0.101xr 0 0 i s2p2 5f p i s2p2 6h -2297.54028( 5f//r2// 6h)-0.989xr -83 -93 i s2p2 5f p i s2p2 7h 365.87178( 5f//r2// 7h)0.2427xr -13 -25 i s2p2 5f p i s2p2 8h 338.55265( 5f//r2// 8h)0.3153xr 0 0 i s2p2 5f p i s2p2 9h 257.22198( 5f//r2// 9h)0.3026xr 3 11 i s2p2 5f p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 5f p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i s2p3 -1.34996( 6f//r2// 3p)-0.999xr -2-100 i s2p2 6f p i s2p2 4p 26.69316( 6f//r2// 4p)0.5433xr 24 88 i s2p2 6f p i s2p2 5p 127.07868( 6f//r2// 5p)0.4947xr 15 41 i s2p2 6f p i s2p2 6p 517.96357( 6f//r2// 6p)0.4823xr -3 -5 i s2p2 6f p i s2p2 7p -3169.62180( 6f//r2// 7p)-0.999xr -93 -97 i s2p2 6f p i s2p2 8p 2472.22608( 6f//r2// 8p)0.7370xr 21 28 i s2p2 6f p i s2p2 9p 167.44293( 6f//r2// 9p)0.0706xr 5 10 i s2p2 6f p i s2p2 4f 76.66034( 6f//r2// 4f)-0.252xr 0 0 i s2p2 6f p i s2p2 5f 872.01417( 6f//r2// 5f)-0.624xr 0 0 i s2p2 6f p i s2p2 6f -3550.64655( 6f//r2// 6f)1.0000xr 100 100 i s2p2 6f p i s2p2 7f 1842.69867( 6f//r2// 7f)-0.586xr 0 0 i s2p2 6f p i s2p2 8f 441.56761( 6f//r2// 8f)-0.201xr 0 0 i s2p2 6f p i s2p2 9f 203.06612( 6f//r2// 9f)-0.119xr 0 0 i s2p2 6f p i s2p2 6h 2443.62825( 6f//r2// 6h)0.7994xr 34 44 i s2p2 6f p i s2p2 7h -4895.97402( 6f//r2// 7h)-0.987xr -79 -94 i s2p2 6f p i s2p2 8h -57.14298( 6f//r2// 8h)-0.017xr -29 -49 i s2p2 6f p i s2p2 9h 240.44643( 6f//r2// 9h)0.0950xr -13 -31 i s2p2 6f p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6f p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i s2p3 -1.10432( 7f//r2// 3p)-0.998xr -2-100 i s2p2 7f p i s2p2 4p 17.45111( 7f//r2// 4p)0.4651xr 18 85 i s2p2 7f p i s2p2 5p 74.44167( 7f//r2// 5p)0.3874xr 12 44 i s2p2 7f p i s2p2 6p 246.43896( 7f//r2// 6p)0.3393xr 4 9 i s2p2 7f p i s2p2 7p 854.19885( 7f//r2// 7p)0.3564xr -12 -19 i s2p2 7f p i s2p2 8p -6139.39235( 7f//r2// 8p)-0.997xr -93 -97 i s2p2 7f p i s2p2 9p 4917.63742( 7f//r2// 9p)0.7579xr 25 33 i s2p2 7f p i s2p2 4f 35.61192( 7f//r2// 4f)-0.158xr 0 0 i s2p2 7f p i s2p2 5f 209.85590( 7f//r2// 5f)-0.223xr 0 0 i s2p2 7f p i s2p2 6f 1842.69867( 7f//r2// 6f)-0.586xr 0 0 i s2p2 7f p i s2p2 7f -6998.87975( 7f//r2// 7f)1.0000xr 100 100 i s2p2 7f p i s2p2 8f 3409.99349( 7f//r2// 8f)-0.559xr 0 0 i s2p2 7f p i s2p2 9f 809.66366( 7f//r2// 9f)-0.185xr 0 0 i s2p2 7f p i s2p2 6h -412.23257( 7f//r2// 6h)-0.178xr 3 5 i s2p2 7f p i s2p2 7h 6312.23806( 7f//r2// 7h)0.8917xr 49 60 i s2p2 7f p i s2p2 8h -8657.72714( 7f//r2// 8h)-0.950xr -70 -88 i s2p2 7f p i s2p2 9h -727.08551( 7f//r2// 9h)-0.110xr -32 -54 i s2p2 7f p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7f p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i s2p3 -0.92111( 8f//r2// 3p)-0.998xr -2-100 i s2p2 8f p i s2p2 4p 12.60307( 8f//r2// 4p)0.4196xr 14 83 i s2p2 8f p i s2p2 5p 50.42439( 8f//r2// 5p)0.3303xr 10 46 i s2p2 8f p i s2p2 6p 147.92661( 8f//r2// 6p)0.2645xr 5 15 i s2p2 8f p i s2p2 7p 417.55799( 8f//r2// 7p)0.2477xr -2 -5 i s2p2 8f p i s2p2 8p 1315.12971( 8f//r2// 8p)0.2798xr -17 -26 i s2p2 8f p i s2p2 9p -10745.60818( 8f//r2// 9p)-0.994xr -92 -98 i s2p2 8f p i s2p2 4f 21.47601( 8f//r2// 4f)-0.121xr 0 0 i s2p2 8f p i s2p2 5f 97.28177( 8f//r2// 5f)-0.136xr 0 0 i s2p2 8f p i s2p2 6f 441.56761( 8f//r2// 6f)-0.201xr 0 0 i s2p2 8f p i s2p2 7f 3409.99349( 8f//r2// 7f)-0.559xr 0 0 i s2p2 8f p i s2p2 8f -12406.84476( 8f//r2// 8f)1.0000xr 100 100 i s2p2 8f p i s2p2 9f 5776.03535( 8f//r2// 9f)-0.540xr 0 0 i s2p2 8f p i s2p2 6h -96.77379( 8f//r2// 6h)-0.057xr 1 3 i s2p2 8f p i s2p2 7h -1197.16072( 8f//r2// 7h)-0.215xr 4 8 i s2p2 8f p i s2p2 8h 12676.40695( 8f//r2// 8h)0.9343xr 59 70 i s2p2 8f p i s2p2 9h -13938.92805( 8f//r2// 9h)-0.904xr -61 -80 i s2p2 8f p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8f p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i s2p3 -0.78201( 9f//r2// 3p)-0.997xr -1-100 i s2p2 9f p i s2p2 4p 9.69146( 9f//r2// 4p)0.3907xr 11 81 i s2p2 9f p i s2p2 5p 37.23702( 9f//r2// 5p)0.2966xr 8 46 i s2p2 9f p i s2p2 6p 101.50690( 9f//r2// 6p)0.2239xr 4 18 i s2p2 9f p i s2p2 7p 253.00261( 9f//r2// 7p)0.1915xr 0 0 i s2p2 9f p i s2p2 8p 652.20881( 9f//r2// 8p)0.1923xr -6 -13 i s2p2 9f p i s2p2 9p 1925.35254( 9f//r2// 9p)0.2304xr -20 -29 i s2p2 9f p i s2p2 4f 14.81562( 9f//r2// 4f)-0.102xr 0 0 i s2p2 9f p i s2p2 5f 58.37141( 9f//r2// 5f)-0.101xr 0 0 i s2p2 9f p i s2p2 6f 203.06612( 9f//r2// 6f)-0.119xr 0 0 i s2p2 9f p i s2p2 7f 809.66366( 9f//r2// 7f)-0.185xr 0 0 i s2p2 9f p i s2p2 8f 5776.03535( 9f//r2// 8f)-0.540xr 0 0 i s2p2 9f p i s2p2 9f -20387.80232( 9f//r2// 9f)1.0000xr 100 100 i s2p2 9f p i s2p2 6h -43.35118( 9f//r2// 6h)-0.032xr 0 2 i s2p2 9f p i s2p2 7h -280.61177( 9f//r2// 7h)-0.068xr 2 5 i s2p2 9f p i s2p2 8h -2616.93921( 9f//r2// 8h)-0.238xr 5 9 i s2p2 9f p i s2p2 9h 22371.89826( 9f//r2// 9h)0.9577xr 67 77 i s2p2 9f p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9f p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i s2p3 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i s2p2 4f 608.41721( 6h//r2// 4f)1.0000xr 44 100 i s2p2 6h p i s2p2 5f -2297.54028( 6h//r2// 5f)-0.989xr -83 -93 i s2p2 6h p i s2p2 6f 2443.62825( 6h//r2// 6f)0.7994xr 34 44 i s2p2 6h p i s2p2 7f -412.23257( 6h//r2// 7f)-0.178xr 3 5 i s2p2 6h p i s2p2 8f -96.77379( 6h//r2// 8f)-0.057xr 1 3 i s2p2 6h p i s2p2 9f -43.35118( 6h//r2// 9f)-0.032xr 0 2 i s2p2 6h p i s2p2 6h -2750.91978( 6h//r2// 6h)1.0000xr 100 100 i s2p2 6h p i s2p2 7h 1514.60631( 6h//r2// 7h)-0.596xr 0 0 i s2p2 6h p i s2p2 8h 301.84120( 6h//r2// 8h)-0.171xr 0 0 i s2p2 6h p i s2p2 9h 124.81760( 6h//r2// 9h)-0.092xr 0 0 i s2p2 6h p i s2p2 8k 3475.09689( 6h//r2// 8k)1.0000xr 56 100 i s2p2 6h p i s2p2 9k 1655.62661( 6h//r2// 9k)0.7048xr 40 91 i s2p2 6h p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 6h p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i s2p3 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i s2p2 4f 326.94483( 7h//r2// 4f)0.8182xr 33 96 i s2p2 7h p i s2p2 5f 365.87178( 7h//r2// 5f)0.2427xr -13 -25 i s2p2 7h p i s2p2 6f -4895.97402( 7h//r2// 6f)-0.987xr -79 -94 i s2p2 7h p i s2p2 7f 6312.23806( 7h//r2// 7f)0.8917xr 49 60 i s2p2 7h p i s2p2 8f -1197.16072( 7h//r2// 8f)-0.215xr 4 8 i s2p2 7h p i s2p2 9f -280.61177( 7h//r2// 9f)-0.068xr 2 5 i s2p2 7h p i s2p2 6h 1514.60631( 7h//r2// 6h)-0.596xr 0 0 i s2p2 7h p i s2p2 7h -6418.79421( 7h//r2// 7h)1.0000xr 100 100 i s2p2 7h p i s2p2 8h 3362.78276( 7h//r2// 8h)-0.584xr 0 0 i s2p2 7h p i s2p2 9h 710.41732( 7h//r2// 9h)-0.173xr 0 0 i s2p2 7h p i s2p2 8k -8895.38004( 7h//r2// 8k)-0.972xr -79 -88 i s2p2 7h p i s2p2 9k 2707.66179( 7h//r2// 9k)0.4167xr 2 5 i s2p2 7h p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7h p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i s2p3 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i s2p2 4f 209.41018( 8h//r2// 4f)0.6885xr 25 91 i s2p2 8h p i s2p2 5f 338.55265( 8h//r2// 5f)0.3153xr 0 0 i s2p2 8h p i s2p2 6f -57.14298( 8h//r2// 6f)-0.017xr -29 -49 i s2p2 8h p i s2p2 7f -8657.72714( 8h//r2// 7f)-0.950xr -70 -88 i s2p2 8h p i s2p2 8f 12676.40695( 8h//r2// 8f)0.9343xr 59 70 i s2p2 8h p i s2p2 9f -2616.93921( 8h//r2// 9f)-0.238xr 5 9 i s2p2 8h p i s2p2 6h 301.84120( 8h//r2// 6h)-0.171xr 0 0 i s2p2 8h p i s2p2 7h 3362.78276( 8h//r2// 7h)-0.584xr 0 0 i s2p2 8h p i s2p2 8h -12414.38723( 8h//r2// 8h)1.0000xr 100 100 i s2p2 8h p i s2p2 9h 6145.63160( 8h//r2// 9h)-0.564xr 0 0 i s2p2 8h p i s2p2 8k 7218.45226( 8h//r2// 8k)0.7005xr 25 34 i s2p2 8h p i s2p2 9k -16956.73835( 8h//r2// 9k)-0.990xr -83 -93 i s2p2 8h p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8h p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i s2p3 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i s2p2 4f 149.36641( 9h//r2// 4f)0.6095xr 20 88 i s2p2 9h p i s2p2 5f 257.22198( 9h//r2// 5f)0.3026xr 3 11 i s2p2 9h p i s2p2 6f 240.44643( 9h//r2// 6f)0.0950xr -13 -31 i s2p2 9h p i s2p2 7f -727.08551( 9h//r2// 7f)-0.110xr -32 -54 i s2p2 9h p i s2p2 8f -13938.92805( 9h//r2// 8f)-0.904xr -61 -80 i s2p2 9h p i s2p2 9f 22371.89826( 9h//r2// 9f)0.9577xr 67 77 i s2p2 9h p i s2p2 6h 124.81760( 9h//r2// 6h)-0.092xr 0 0 i s2p2 9h p i s2p2 7h 710.41732( 9h//r2// 7h)-0.173xr 0 0 i s2p2 9h p i s2p2 8h 6145.63160( 9h//r2// 8h)-0.564xr 0 0 i s2p2 9h p i s2p2 9h -21493.37559( 9h//r2// 9h)1.0000xr 100 100 i s2p2 9h p i s2p2 8k -948.43497( 9h//r2// 8k)-0.119xr 2 3 i s2p2 9h p i s2p2 9k 16916.24159( 9h//r2// 9k)0.8189xr 38 48 i s2p2 9h p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9h p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p3 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i s2p2 6h 3475.09689( 8k//r2// 6h)1.0000xr 56 100 i s2p2 8k p i s2p2 7h -8895.38004( 8k//r2// 7h)-0.972xr -79 -88 i s2p2 8k p i s2p2 8h 7218.45226( 8k//r2// 8h)0.7005xr 25 34 i s2p2 8k p i s2p2 9h -948.43497( 8k//r2// 9h)-0.119xr 2 3 i s2p2 8k p i s2p2 8k -9545.19009( 8k//r2// 8k)1.0000xr 100 100 i s2p2 8k p i s2p2 9k 4610.00849( 8k//r2// 9k)-0.539xr 0 0 i s2p2 8k p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8k p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p3 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i s2p2 6h 1655.62661( 9k//r2// 6h)0.7048xr 40 91 i s2p2 9k p i s2p2 7h 2707.66179( 9k//r2// 7h)0.4167xr 2 5 i s2p2 9k p i s2p2 8h -16956.73835( 9k//r2// 8h)-0.990xr -83 -93 i s2p2 9k p i s2p2 9h 16916.24159( 9k//r2// 9h)0.8189xr 38 48 i s2p2 9k p i s2p2 8k 4610.00849( 9k//r2// 8k)-0.539xr 0 0 i s2p2 9k p i s2p2 9k -18792.08041( 9k//r2// 9k)1.0000xr 100 100 i s2p2 9k p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9k p i sp3 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p3 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i sp3 4s -6.04373( 3p//r2// 3p)1.0000xr 100 100 i sp3 4s p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 4s p i sp3 3d -54.02262( 4s//r2// 3d)-0.998xr -86 -94 i sp3 4s p i sp3 4d 13.18471( 4s//r2// 4d)0.4187xr -16 -37 i sp3 4s p i sp3 5d 11.14887( 4s//r2// 5d)0.5462xr -2 -8 i sp3 4s p i sp3 6d 8.06316( 4s//r2// 6d)0.5436xr 1 5 i sp3 4s p i sp3 7d 6.04748( 4s//r2// 7d)0.5291xr 2 13 i sp3 4s p i sp3 8d 4.73381( 4s//r2// 8d)0.5165xr 2 17 i sp3 4s p i sp3 9d 3.83497( 4s//r2// 9d)0.5067xr 2 20 i sp3 5s p i s2p3 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i sp3 5s -5.91018( 3p//r2// 3p)1.0000xr 100 100 i sp3 5s p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 5s p i sp3 3d 101.04977( 5s//r2// 3d)0.9208xr 39 52 i sp3 5s p i sp3 4d -241.32730( 5s//r2// 4d)-0.998xr -85 -96 i sp3 5s p i sp3 5d 36.25721( 5s//r2// 5d)0.2308xr -23 -45 i sp3 5s p i sp3 6d 28.91809( 5s//r2// 6d)0.2761xr -10 -28 i sp3 5s p i sp3 7d 20.91816( 5s//r2// 7d)0.2663xr -5 -19 i sp3 5s p i sp3 8d 15.82891( 5s//r2// 8d)0.2548xr -3 -14 i sp3 5s p i sp3 9d 12.50694( 5s//r2// 9d)0.2458xr -2 -11 i sp3 6s p i s2p3 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i sp3 6s -5.88504( 3p//r2// 3p)1.0000xr 100 100 i sp3 6s p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 6s p i sp3 3d -13.78819( 6s//r2// 3d)-0.192xr 6 16 i sp3 6s p i sp3 4d 345.66919( 6s//r2// 4d)0.9007xr 41 54 i sp3 6s p i sp3 5d -710.23529( 6s//r2// 5d)-0.990xr -84 -96 i sp3 6s p i sp3 6d 77.21866( 6s//r2// 6d)0.1570xr -25 -45 i sp3 6s p i sp3 7d 59.11030( 6s//r2// 7d)0.1732xr -13 -31 i sp3 6s p i sp3 8d 42.29900( 6s//r2// 8d)0.1606xr -8 -25 i sp3 6s p i sp3 9d 31.92267( 6s//r2// 9d)0.1499xr -5 -21 i sp3 7s p i s2p3 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i sp3 7s -5.87684( 3p//r2// 3p)1.0000xr 100 100 i sp3 7s p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 7s p i sp3 3d -5.40137( 7s//r2// 3d)-0.118xr 3 12 i sp3 7s p i sp3 4d -17.99548( 7s//r2// 4d)-0.071xr 9 19 i sp3 7s p i sp3 5d 895.71410( 7s//r2// 5d)0.8893xr 43 56 i sp3 7s p i sp3 6d -1648.34653( 7s//r2// 6d)-0.982xr -82 -95 i sp3 7s p i sp3 7d 141.59519( 7s//r2// 7d)0.1184xr -26 -44 i sp3 7s p i sp3 8d 105.89107( 7s//r2// 8d)0.1231xr -14 -31 i sp3 7s p i sp3 9d 74.83836( 7s//r2// 9d)0.1105xr -9 -25 i sp3 8s p i s2p3 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i sp3 8s -5.87335( 3p//r2// 3p)1.0000xr 100 100 i sp3 8s p i sp3 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 8s p i sp3 3d -3.10311( 8s//r2// 3d)-0.092xr 2 10 i sp3 8s p i sp3 4d -8.53394( 8s//r2// 4d)-0.049xr 4 14 i sp3 8s p i sp3 5d -19.54573( 8s//r2// 5d)-0.028xr 10 21 i sp3 8s p i sp3 6d 1950.78940( 8s//r2// 6d)0.8850xr 45 58 i sp3 8s p i sp3 7d -3290.23768( 8s//r2// 7d)-0.974xr -80 -94 i sp3 8s p i sp3 8d 235.32890( 8s//r2// 8d)0.0945xr -26 -42 i sp3 8s p i sp3 9d 173.80812( 8s//r2// 9d)0.0948xr -14 -30 i sp3 9s p i s2p3 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i sp3 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i sp3 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i sp3 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i sp3 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i sp3 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 9s p i sp3 9s -5.87161( 3p//r2// 3p)1.0000xr 100 100 i sp3 9s p i sp3 3d -2.10802( 9s//r2// 3d)-0.081xr 1 9 i sp3 9s p i sp3 4d -5.14503( 9s//r2// 4d)-0.039xr 3 12 i sp3 9s p i sp3 5d -12.20372( 9s//r2// 5d)-0.025xr 5 15 i sp3 9s p i sp3 6d -21.84117( 9s//r2// 6d)-0.014xr 12 22 i sp3 9s p i sp3 7d 3756.28083( 9s//r2// 7d)0.8844xr 47 60 i sp3 9s p i sp3 8d -5917.78465( 9s//r2// 8d)-0.967xr -79 -92 i sp3 9s p i sp3 9d 364.78660( 9s//r2// 9d)0.0787xr -26 -41 i sp3 3d p i s2p3 2.93576( 3d//r2// 3s)0.9997xr 30 99 i sp3 3d p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 3d p i sp3 4s -54.02262( 3d//r2// 4s)-0.998xr -86 -94 i sp3 3d p i sp3 5s 101.04977( 3d//r2// 5s)0.9208xr 39 52 i sp3 3d p i sp3 6s -13.78819( 3d//r2// 6s)-0.192xr 6 16 i sp3 3d p i sp3 7s -5.40137( 3d//r2// 7s)-0.118xr 3 12 i sp3 3d p i sp3 8s -3.10311( 3d//r2// 8s)-0.092xr 2 10 i sp3 3d p i sp3 9s -2.10802( 3d//r2// 9s)-0.081xr 1 9 i sp3 3d p i sp3 3d -101.52403( 3d//r2// 3d)1.0000xr 100 100 i sp3 3d p i sp3 4d 98.39437( 3d//r2// 4d)-0.845xr -7 -11 i sp3 3d p i sp3 5d 16.24683( 3d//r2// 5d)-0.232xr -5 -12 i sp3 3d p i sp3 6d 5.52535( 3d//r2// 6d)-0.113xr -3 -12 i sp3 3d p i sp3 7d 2.57745( 3d//r2// 7d)-0.069xr -2 -13 i sp3 3d p i sp3 8d 1.43177( 3d//r2// 8d)-0.048xr -2 -13 i sp3 3d p i sp3 9d 0.88713( 3d//r2// 9d)-0.036xr -1 -13 i sp3 4d p i s2p3 2.03554( 4d//r2// 3s)0.9941xr 25 98 i sp3 4d p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 4d p i sp3 4s 13.18471( 4d//r2// 4s)0.4187xr -16 -37 i sp3 4d p i sp3 5s -241.32730( 4d//r2// 5s)-0.998xr -85 -96 i sp3 4d p i sp3 6s 345.66919( 4d//r2// 6s)0.9007xr 41 54 i sp3 4d p i sp3 7s -17.99548( 4d//r2// 7s)-0.071xr 9 19 i sp3 4d p i sp3 8s -8.53394( 4d//r2// 8s)-0.049xr 4 14 i sp3 4d p i sp3 9s -5.14503( 4d//r2// 9s)-0.039xr 3 12 i sp3 4d p i sp3 3d 98.39437( 4d//r2// 3d)-0.845xr -7 -11 i sp3 4d p i sp3 4d -407.49156( 4d//r2// 4d)1.0000xr 100 100 i sp3 4d p i sp3 5d 289.32173( 4d//r2// 5d)-0.727xr -4 -6 i sp3 4d p i sp3 6d 65.05393( 4d//r2// 6d)-0.256xr -3 -7 i sp3 4d p i sp3 7d 28.64885( 4d//r2// 7d)-0.155xr -2 -7 i sp3 4d p i sp3 8d 16.55120( 4d//r2// 8d)-0.114xr -1 -7 i sp3 4d p i sp3 9d 11.03741( 4d//r2// 9d)-0.093xr -1 -7 i sp3 5d p i s2p3 1.31891( 5d//r2// 3s)0.9774xr 17 98 i sp3 5d p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 5d p i sp3 4s 11.14887( 5d//r2// 4s)0.5462xr -2 -8 i sp3 5d p i sp3 5s 36.25721( 5d//r2// 5s)0.2308xr -23 -45 i sp3 5d p i sp3 6s -710.23529( 5d//r2// 6s)-0.990xr -84 -96 i sp3 5d p i sp3 7s 895.71410( 5d//r2// 7s)0.8893xr 43 56 i sp3 5d p i sp3 8s -19.54573( 5d//r2// 8s)-0.028xr 10 21 i sp3 5d p i sp3 9s -12.20372( 5d//r2// 9s)-0.025xr 5 15 i sp3 5d p i sp3 3d 16.24683( 5d//r2// 3d)-0.232xr -5 -12 i sp3 5d p i sp3 4d 289.32173( 5d//r2// 4d)-0.727xr -4 -6 i sp3 5d p i sp3 5d -1153.11146( 5d//r2// 5d)1.0000xr 100 100 i sp3 5d p i sp3 6d 678.77084( 5d//r2// 6d)-0.646xr -2 -3 i sp3 5d p i sp3 7d 163.50241( 5d//r2// 7d)-0.233xr -1 -3 i sp3 5d p i sp3 8d 75.25033( 5d//r2// 8d)-0.142xr -1 -4 i sp3 5d p i sp3 9d 44.78241( 5d//r2// 9d)-0.106xr -1 -4 i sp3 6d p i s2p3 0.91551( 6d//r2// 3s)0.9603xr 12 98 i sp3 6d p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 6d p i sp3 4s 8.06316( 6d//r2// 4s)0.5436xr 1 5 i sp3 6d p i sp3 5s 28.91809( 6d//r2// 5s)0.2761xr -10 -28 i sp3 6d p i sp3 6s 77.21866( 6d//r2// 6s)0.1570xr -25 -45 i sp3 6d p i sp3 7s -1648.34653( 6d//r2// 7s)-0.982xr -82 -95 i sp3 6d p i sp3 8s 1950.78940( 6d//r2// 8s)0.8850xr 45 58 i sp3 6d p i sp3 9s -21.84117( 6d//r2// 9s)-0.014xr 12 22 i sp3 6d p i sp3 3d 5.52535( 6d//r2// 3d)-0.113xr -3 -12 i sp3 6d p i sp3 4d 65.05393( 6d//r2// 4d)-0.256xr -3 -7 i sp3 6d p i sp3 5d 678.77084( 6d//r2// 5d)-0.646xr -2 -3 i sp3 6d p i sp3 6d -2627.75194( 6d//r2// 6d)1.0000xr 100 100 i sp3 6d p i sp3 7d 1386.04621( 6d//r2// 7d)-0.597xr -1 -1 i sp3 6d p i sp3 8d 336.80385( 6d//r2// 8d)-0.209xr -1 -2 i sp3 6d p i sp3 9d 155.67944( 6d//r2// 9d)-0.126xr 0 -2 i sp3 7d p i s2p3 0.67880( 7d//r2// 3s)0.9466xr 9 98 i sp3 7d p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 7d p i sp3 4s 6.04748( 7d//r2// 4s)0.5291xr 2 13 i sp3 7d p i sp3 5s 20.91816( 7d//r2// 5s)0.2663xr -5 -19 i sp3 7d p i sp3 6s 59.11030( 7d//r2// 6s)0.1732xr -13 -31 i sp3 7d p i sp3 7s 141.59519( 7d//r2// 7s)0.1184xr -26 -44 i sp3 7d p i sp3 8s -3290.23768( 7d//r2// 8s)-0.974xr -80 -94 i sp3 7d p i sp3 9s 3756.28083( 7d//r2// 9s)0.8844xr 47 60 i sp3 7d p i sp3 3d 2.57745( 7d//r2// 3d)-0.069xr -2 -13 i sp3 7d p i sp3 4d 28.64885( 7d//r2// 4d)-0.155xr -2 -7 i sp3 7d p i sp3 5d 163.50241( 7d//r2// 5d)-0.233xr -1 -3 i sp3 7d p i sp3 6d 1386.04621( 7d//r2// 6d)-0.597xr -1 -1 i sp3 7d p i sp3 7d -5192.17721( 7d//r2// 7d)1.0000xr 100 100 i sp3 7d p i sp3 8d 2552.31538( 7d//r2// 8d)-0.565xr 0 -1 i sp3 7d p i sp3 9d 615.86046( 7d//r2// 9d)-0.191xr 0 -1 i sp3 8d p i s2p3 0.52844( 8d//r2// 3s)0.9360xr 7 98 i sp3 8d p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 8d p i sp3 4s 4.73381( 8d//r2// 4s)0.5165xr 2 17 i sp3 8d p i sp3 5s 15.82891( 8d//r2// 5s)0.2548xr -3 -14 i sp3 8d p i sp3 6s 42.29900( 8d//r2// 6s)0.1606xr -8 -25 i sp3 8d p i sp3 7s 105.89107( 8d//r2// 7s)0.1231xr -14 -31 i sp3 8d p i sp3 8s 235.32890( 8d//r2// 8s)0.0945xr -26 -42 i sp3 8d p i sp3 9s -5917.78465( 8d//r2// 9s)-0.967xr -79 -92 i sp3 8d p i sp3 3d 1.43177( 8d//r2// 3d)-0.048xr -2 -13 i sp3 8d p i sp3 4d 16.55120( 8d//r2// 4d)-0.114xr -1 -7 i sp3 8d p i sp3 5d 75.25033( 8d//r2// 5d)-0.142xr -1 -4 i sp3 8d p i sp3 6d 336.80385( 8d//r2// 6d)-0.209xr -1 -2 i sp3 8d p i sp3 7d 2552.31538( 8d//r2// 7d)-0.565xr 0 -1 i sp3 8d p i sp3 8d -9278.81010( 8d//r2// 8d)1.0000xr 100 100 i sp3 8d p i sp3 9d 4342.57676( 8d//r2// 9d)-0.543xr 0 0 i sp3 9d p i s2p3 0.42639( 9d//r2// 3s)0.9279xr 6 97 i sp3 9d p i s2p2 4p 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 5p 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 6p 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 7p 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 8p 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 9p 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 4f 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 5f 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 6f 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 7f 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 8f 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 9f 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 6h 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 7h 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 8h 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 9h 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 8k 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i s2p2 9k 0.00000( //r2// )0.0000xr 0 0 i sp3 9d p i sp3 4s 3.83497( 9d//r2// 4s)0.5067xr 2 20 i sp3 9d p i sp3 5s 12.50694( 9d//r2// 5s)0.2458xr -2 -11 i sp3 9d p i sp3 6s 31.92267( 9d//r2// 6s)0.1499xr -5 -21 i sp3 9d p i sp3 7s 74.83836( 9d//r2// 7s)0.1105xr -9 -25 i sp3 9d p i sp3 8s 173.80812( 9d//r2// 8s)0.0948xr -14 -30 i sp3 9d p i sp3 9s 364.78660( 9d//r2// 9s)0.0787xr -26 -41 i sp3 9d p i sp3 3d 0.88713( 9d//r2// 3d)-0.036xr -1 -13 i sp3 9d p i sp3 4d 11.03741( 9d//r2// 4d)-0.093xr -1 -7 i sp3 9d p i sp3 5d 44.78241( 9d//r2// 5d)-0.106xr -1 -4 i sp3 9d p i sp3 6d 155.67944( 9d//r2// 6d)-0.126xr 0 -2 i sp3 9d p i sp3 7d 615.86046( 9d//r2// 7d)-0.191xr 0 -1 i sp3 9d p i sp3 8d 4342.57676( 9d//r2// 8d)-0.543xr 0 0 i sp3 9d p i sp3 9d -15391.71960( 9d//r2// 9d)1.0000xr 100 100 i s2p2 4s 4 4931030 4533661 32572 272784 00xr99999999 i s2p2 5s 4 6586240 4588351 33122 70464 00xr99999999 i s2p2 6s 4 7120020 4598931 33232 28654 00xr99999999 i s2p2 7s 4 7364250 4602361 33272 14434 00xr99999999 i s2p2 8s 4 7496610 4603811 33292 8284 00xr99999999 i s2p2 9s 4 7576460 4604541 33292 5184 00xr99999999 i s2p2 3d 7 6350020 4566151 32902 22 616803xr99999999 476184 270874 i s2p2 4d 7 7014560 4580911 33022 12 338863xr99999999 334124 193134 i s2p2 5d 7 7311750 4592981 33162 02 172023xr99999999 180274 105124 i s2p2 6d 7 7466430 4598751 33222 02 93923xr99999999 100584 58954 i s2p2 7d 7 7557320 4601571 33262 02 55923xr99999999 60464 35554 i s2p2 8d 7 7615400 4603071 33282 02 35773xr99999999 38854 22894 i s2p2 9d 7 7654760 4603941 33292 02 24193xr99999999 26344 15544 i s2p2 5g 7 7359010 4605751 33312 02 10743xr99999999 04 04 i s2p2 6g 7 7493160 4605751 33312 02 6223xr99999999 04 04 i s2p2 7g 7 7574090 4605751 33312 02 3913xr99999999 04 04 i s2p2 8g 7 7626650 4605751 33312 02 2623xr99999999 04 04 i s2p2 9g 7 7662690 4605751 33312 02 1843xr99999999 04 04 i s2p2 7i 7 7574350 4605751 33312 02 1293xr99999999 04 04 i s2p2 8i 7 7626840 4605751 33312 02 863xr99999999 04 04 i s2p2 9i 7 7662820 4605751 33312 02 603xr99999999 04 04 i sp4 4 7688540 4205181 28532 5986524 00xr99999999 i sp3 4p 9 13480400 4642231 34072 2092 484903xr99999999 6503704 242544 197854 168534 i sp3 5p 9 14470870 4660561 34292 772 159013xr99999999 6523784 83414 66004 58444 i sp3 6p 9 14844750 4665871 34352 372 72233xr99999999 6529644 38784 30284 27274 i sp3 7p 9 15029570 4667971 34382 202 38953xr99999999 6531984 21184 16434 14934 i sp3 8p 9 15134750 4668971 34392 122 23413xr99999999 6533094 12834 9914 9054 i sp3 9p 9 15200400 4669501 34402 82 15163xr99999999 6533694 8354 6444 5904 i sp3 4f 9 14703310 4670291 34412 02 44293xr99999999 6534624 294 1184 754 i sp3 5f 9 14952710 4670331 34412 02 23063xr99999999 6534654 264 1034 664 i sp3 6f 9 15088700 4670381 34412 02 13543xr99999999 6534694 204 764 494 i sp3 7f 9 15170690 4670411 34412 02 8623xr99999999 6534734 154 554 354 i sp3 8f 9 15223870 4670441 34412 02 5833xr99999999 6534754 114 404 264 i sp3 9f 9 15260310 4670451 34412 02 4123xr99999999 6534774 84 304 194 2p2 4s -s2p2 5s 2 0.00005 1.37125 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 6s 2 0.00005 0.86845 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 7s 2 0.00005 0.61425 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 8s 2 0.00005 0.46425 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 9s 2 0.00005 0.36685 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 3d 2 -4.33015 -0.51825 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 4d 2 -2.23795 -0.21865 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 5d 2 -1.20815 -0.07905 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 6d 2 -0.73015 -0.02555 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 7d 2 -0.48615 -0.00425 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 8d 2 -0.34775 0.00485 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 9d 2 -0.26235 0.00875 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp4 1 2.10295 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 4p 2 10.89705 1.55725 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 5p 2 5.35695 0.96495 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 6p 2 3.45975 0.67145 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 7p 2 2.49035 0.50125 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 8p 2 1.90825 0.39245 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 9p 2 1.52435 0.31795 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 6s 2 0.00005 0.44905 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 7s 2 0.00005 0.31845 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 8s 2 0.00005 0.24105 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 9s 2 0.00005 0.19065 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 3d 2 -1.21345 -0.27875 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 4d 2 -1.23935 -0.13645 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 5d 2 -0.79645 -0.06265 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 6d 2 -0.53625 -0.03125 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 7d 2 -0.38605 -0.01695 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 8d 2 -0.29325 -0.00975 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 9d 2 -0.23205 -0.00585 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp4 1 1.04965 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 4p 2 2.04875 0.77795 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 5p 2 3.36575 0.48455 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 6p 2 2.11485 0.33785 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 7p 2 1.51685 0.25255 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 8p 2 1.16205 0.19785 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 9p 2 0.92875 0.16035 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 7s 2 0.00005 0.20345 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 8s 2 0.00005 0.15405 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 9s 2 0.00005 0.12185 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 3d 2 -0.70885 -0.18365 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 4d 2 -0.61485 -0.09445 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 5d 2 -0.50295 -0.04625 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 6d 2 -0.35785 -0.02485 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 7d 2 -0.26535 -0.01475 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 8d 2 -0.20545 -0.00945 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 9d 2 -0.16475 -0.00645 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp4 1 0.65445 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 4p 2 1.15495 0.48975 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 5p 2 1.03375 0.30565 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 6p 2 1.44105 0.21325 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 7p 2 1.01925 0.15945 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 8p 2 0.78015 0.12495 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 9p 2 0.62385 0.10135 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 8s 2 0.00005 0.10935 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 9s 2 0.00005 0.08655 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 3d 2 -0.48235 -0.13265 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 4d 2 -0.41515 -0.06975 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 5d 2 -0.31185 -0.03505 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 6d 2 -0.24895 -0.01945 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 7d 2 -0.18915 -0.01195 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 8d 2 -0.14845 -0.00795 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 9d 2 -0.12005 -0.00555 0.00005 0.00005 0.00005xr99999999 2p2 7s -sp4 1 0.45835 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7s -sp3 4p 2 0.77095 0.34515 0.00005 0.00005 0.00005xr99999999 2p2 7s -sp3 5p 2 0.66765 0.21565 0.00005 0.00005 0.00005xr99999999 2p2 7s -sp3 6p 2 0.57785 0.15055 0.00005 0.00005 0.00005xr99999999 2p2 7s -sp3 7p 2 0.74265 0.11255 0.00005 0.00005 0.00005xr99999999 2p2 7s -sp3 8p 2 0.56335 0.08825 0.00005 0.00005 0.00005xr99999999 2p2 7s -sp3 9p 2 0.45055 0.07155 0.00005 0.00005 0.00005xr99999999 2p2 8s -s2p2 9s 2 0.00005 0.06555 0.00005 0.00005 0.00005xr99999999 2p2 8s -s2p2 3d 2 -0.35655 -0.10155 0.00005 0.00005 0.00005xr99999999 2p2 8s -s2p2 4d 2 -0.30635 -0.05405 0.00005 0.00005 0.00005xr99999999 2p2 8s -s2p2 5d 2 -0.22865 -0.02755 0.00005 0.00005 0.00005xr99999999 2p2 8s -s2p2 6d 2 -0.17345 -0.01555 0.00005 0.00005 0.00005xr99999999 2p2 8s -s2p2 7d 2 -0.14055 -0.00965 0.00005 0.00005 0.00005xr99999999 2p2 8s -s2p2 8d 2 -0.11175 -0.00655 0.00005 0.00005 0.00005xr99999999 2p2 8s -s2p2 9d 2 -0.09105 -0.00465 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp4 1 0.34445 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 4p 2 0.56315 0.26035 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 5p 2 0.48055 0.16275 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 6p 2 0.40565 0.11365 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 7p 2 0.35235 0.08505 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 8p 2 0.43115 0.06665 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 9p 2 0.34255 0.05405 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 3d 2 -0.27775 -0.08085 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 4d 2 -0.23865 -0.04335 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 5d 2 -0.17775 -0.02235 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 6d 2 -0.13425 -0.01265 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 7d 2 -0.10525 -0.00795 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 8d 2 -0.08705 -0.00545 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 9d 2 -0.07145 -0.00385 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp4 1 0.27125 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 4p 2 0.43495 0.20555 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 5p 2 0.36845 0.12845 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 6p 2 0.30735 0.08975 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 7p 2 0.26175 0.06715 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 8p 2 0.22965 0.05265 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 9p 2 0.27195 0.04265 0.00005 0.00005 0.00005xr99999999 2p2 3d -s2p2 4d 4 0.00005 4.02845 3.97365 2.27635 0.00005xr99999999 2p2 3d -s2p2 5d 4 0.00005 2.67585 2.90525 1.66985 0.00005xr99999999 2p2 3d -s2p2 6d 4 0.00005 1.89435 2.16315 1.24545 0.00005xr99999999 2p2 3d -s2p2 7d 4 0.00005 1.42165 1.67345 0.96455 0.00005xr99999999 2p2 3d -s2p2 8d 4 0.00005 1.11535 1.33945 0.77255 0.00005xr99999999 2p2 3d -s2p2 9d 4 0.00005 0.90465 1.10175 0.63575 0.00005xr99999999 2p2 3d -s2p2 5g 2 0.18275 0.00955 0.00005 0.00005 0.00005xr99999999 2p2 3d -s2p2 6g 2 0.17495 0.01005 0.00005 0.00005 0.00005xr99999999 2p2 3d -s2p2 7g 2 0.15375 0.00935 0.00005 0.00005 0.00005xr99999999 2p2 3d -s2p2 8g 2 0.13325 0.00845 0.00005 0.00005 0.00005xr99999999 2p2 3d -s2p2 9g 2 0.11575 0.00755 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp4 1 15.73625 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 4p 2 -5.14815 2.37055 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 5p 2 -1.24165 1.32755 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 6p 2 -0.70225 0.88735 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 7p 2 -0.47255 0.64885 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 8p 2 -0.34745 0.50185 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 9p 2 -0.26975 0.40335 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 4f 2 -2.59535 -0.09105 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 5f 2 -1.93995 -0.08755 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 6f 2 -1.49865 -0.07645 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 7f 2 -1.19975 -0.06575 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 8f 2 -0.98805 -0.05675 0.00005 0.00005 0.00005xr99999999 2p2 3d -sp3 9f 2 -0.83205 -0.04935 0.00005 0.00005 0.00005xr99999999 2p2 4d -s2p2 5d 4 0.00005 2.32295 2.45215 1.42335 0.00005xr99999999 2p2 4d -s2p2 6d 4 0.00005 1.67375 1.82935 1.06425 0.00005xr99999999 2p2 4d -s2p2 7d 4 0.00005 1.26955 1.41695 0.82545 0.00005xr99999999 2p2 4d -s2p2 8d 4 0.00005 1.00305 1.13505 0.66175 0.00005xr99999999 2p2 4d -s2p2 9d 4 0.00005 0.81765 0.93415 0.54495 0.00005xr99999999 2p2 4d -s2p2 5g 2 -0.08995 0.00715 0.00005 0.00005 0.00005xr99999999 2p2 4d -s2p2 6g 2 -0.05285 0.00765 0.00005 0.00005 0.00005xr99999999 2p2 4d -s2p2 7g 2 -0.03285 0.00705 0.00005 0.00005 0.00005xr99999999 2p2 4d -s2p2 8g 2 -0.02195 0.00635 0.00005 0.00005 0.00005xr99999999 2p2 4d -s2p2 9g 2 -0.01545 0.00565 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp4 1 13.36225 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 4p 2 -0.52695 2.11335 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 5p 2 -1.71425 1.18905 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 6p 2 -0.63775 0.79625 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 7p 2 -0.40565 0.58285 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 8p 2 -0.29205 0.45105 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 9p 2 -0.22465 0.36265 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 4f 2 0.50985 -0.07495 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 5f 2 -0.36535 -0.07225 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 6f 2 -0.43545 -0.06315 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 7f 2 -0.40575 -0.05435 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 8f 2 -0.36105 -0.04695 0.00005 0.00005 0.00005xr99999999 2p2 4d -sp3 9f 2 -0.31855 -0.04085 0.00005 0.00005 0.00005xr99999999 2p2 5d -s2p2 6d 4 0.00005 1.24975 1.34635 0.78705 0.00005xr99999999 2p2 5d -s2p2 7d 4 0.00005 0.95345 1.04345 0.61085 0.00005xr99999999 2p2 5d -s2p2 8d 4 0.00005 0.75615 0.83605 0.48995 0.00005xr99999999 2p2 5d -s2p2 9d 4 0.00005 0.61805 0.68825 0.40365 0.00005xr99999999 2p2 5d -s2p2 5g 2 -0.00605 0.00495 0.00005 0.00005 0.00005xr99999999 2p2 5d -s2p2 6g 2 -0.03315 0.00525 0.00005 0.00005 0.00005xr99999999 2p2 5d -s2p2 7g 2 -0.03075 0.00495 0.00005 0.00005 0.00005xr99999999 2p2 5d -s2p2 8g 2 -0.02605 0.00445 0.00005 0.00005 0.00005xr99999999 2p2 5d -s2p2 9g 2 -0.02185 0.00395 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp4 1 9.85975 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 4p 2 0.45095 1.59575 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 5p 2 -0.40245 0.89985 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 6p 2 -0.74035 0.60315 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 7p 2 -0.33615 0.44175 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 8p 2 -0.22975 0.34195 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 9p 2 -0.17315 0.27495 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 4f 2 0.12345 -0.05435 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 5f 2 0.36895 -0.05245 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 6f 2 0.04735 -0.04595 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 7f 2 -0.03585 -0.03955 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 8f 2 -0.06275 -0.03415 0.00005 0.00005 0.00005xr99999999 2p2 5d -sp3 9f 2 -0.07045 -0.02975 0.00005 0.00005 0.00005xr99999999 2p2 6d -s2p2 7d 4 0.00005 0.71825 0.77985 0.45785 0.00005xr99999999 2p2 6d -s2p2 8d 4 0.00005 0.57095 0.62505 0.36735 0.00005xr99999999 2p2 6d -s2p2 9d 4 0.00005 0.46735 0.51465 0.30265 0.00005xr99999999 2p2 6d -s2p2 5g 2 -0.00635 0.00365 0.00005 0.00005 0.00005xr99999999 2p2 6d -s2p2 6g 2 -0.00535 0.00385 0.00005 0.00005 0.00005xr99999999 2p2 6d -s2p2 7g 2 -0.01415 0.00355 0.00005 0.00005 0.00005xr99999999 2p2 6d -s2p2 8g 2 -0.01485 0.00325 0.00005 0.00005 0.00005xr99999999 2p2 6d -s2p2 9g 2 -0.01375 0.00285 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp4 1 7.37825 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 4p 2 0.62675 1.20915 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 5p 2 -0.04875 0.68275 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 6p 2 -0.25175 0.45785 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 7p 2 -0.38115 0.33535 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 8p 2 -0.19535 0.25965 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 9p 2 -0.14035 0.20885 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 4f 2 0.08195 -0.04035 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 5f 2 0.10985 -0.03895 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 6f 2 0.23845 -0.03405 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 7f 2 0.09995 -0.02935 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 8f 2 0.04835 -0.02535 0.00005 0.00005 0.00005xr99999999 2p2 6d -sp3 9f 2 0.02345 -0.02205 0.00005 0.00005 0.00005xr99999999 2p2 7d -s2p2 8d 4 0.00005 0.44485 0.48475 0.28535 0.00005xr99999999 2p2 7d -s2p2 9d 4 0.00005 0.36455 0.39915 0.23515 0.00005xr99999999 2p2 7d -s2p2 5g 2 -0.00495 0.00275 0.00005 0.00005 0.00005xr99999999 2p2 7d -s2p2 6g 2 -0.00545 0.00295 0.00005 0.00005 0.00005xr99999999 2p2 7d -s2p2 7g 2 -0.00425 0.00275 0.00005 0.00005 0.00005xr99999999 2p2 7d -s2p2 8g 2 -0.00725 0.00245 0.00005 0.00005 0.00005xr99999999 2p2 7d -s2p2 9g 2 -0.00785 0.00225 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp4 1 5.72535 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 4p 2 0.61195 0.94535 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 5p 2 0.06715 0.53415 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 6p 2 -0.09815 0.35835 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 7p 2 -0.16265 0.26255 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 8p 2 -0.22135 0.20325 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 9p 2 -0.12355 0.16355 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 4f 2 0.06255 -0.03115 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 5f 2 0.07385 -0.03005 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 6f 2 0.08455 -0.02635 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 7f 2 0.15605 -0.02265 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 8f 2 0.08815 -0.01955 0.00005 0.00005 0.00005xr99999999 2p2 7d -sp3 9f 2 0.05745 -0.01705 0.00005 0.00005 0.00005xr99999999 2p2 8d -s2p2 9d 4 0.00005 0.29315 0.31995 0.18875 0.00005xr99999999 2p2 8d -s2p2 5g 2 -0.00395 0.00215 0.00005 0.00005 0.00005xr99999999 2p2 8d -s2p2 6g 2 -0.00435 0.00235 0.00005 0.00005 0.00005xr99999999 2p2 8d -s2p2 7g 2 -0.00415 0.00215 0.00005 0.00005 0.00005xr99999999 2p2 8d -s2p2 8g 2 -0.00325 0.00195 0.00005 0.00005 0.00005xr99999999 2p2 8d -s2p2 9g 2 -0.00435 0.00175 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp4 1 4.59165 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 4p 2 0.55425 0.76195 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 5p 2 0.10565 0.43075 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 6p 2 -0.03365 0.28905 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 7p 2 -0.08575 0.21175 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 8p 2 -0.11005 0.16395 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 9p 2 -0.13995 0.13185 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 4f 2 0.05045 -0.02485 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 5f 2 0.05655 -0.02405 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 6f 2 0.05915 -0.02105 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 7f 2 0.06345 -0.01815 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 8f 2 0.10585 -0.01565 0.00005 0.00005 0.00005xr99999999 2p2 8d -sp3 9f 2 0.06905 -0.01365 0.00005 0.00005 0.00005xr99999999 2p2 9d -s2p2 5g 2 -0.00325 0.00175 0.00005 0.00005 0.00005xr99999999 2p2 9d -s2p2 6g 2 -0.00365 0.00185 0.00005 0.00005 0.00005xr99999999 2p2 9d -s2p2 7g 2 -0.00345 0.00175 0.00005 0.00005 0.00005xr99999999 2p2 9d -s2p2 8g 2 -0.00315 0.00165 0.00005 0.00005 0.00005xr99999999 2p2 9d -s2p2 9g 2 -0.00245 0.00145 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp4 1 3.78205 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 4p 2 0.49235 0.62975 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 5p 2 0.11565 0.35615 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 6p 2 -0.00355 0.23895 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 7p 2 -0.04835 0.17515 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 8p 2 -0.06725 0.13565 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 9p 2 -0.07745 0.10905 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 4f 2 0.04205 -0.02045 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 5f 2 0.04575 -0.01975 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 6f 2 0.04605 -0.01725 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 7f 2 0.04615 -0.01495 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 8f 2 0.04785 -0.01285 0.00005 0.00005 0.00005xr99999999 2p2 9d -sp3 9f 2 0.07445 -0.01125 0.00005 0.00005 0.00005xr99999999 2p2 5g -s2p2 6g 4 0.00005 0.06235 0.00015 0.00015 0.00005xr99999999 2p2 5g -s2p2 7g 4 0.00005 0.04415 0.00015 0.00005 0.00005xr99999999 2p2 5g -s2p2 8g 4 0.00005 0.03385 0.00015 0.00005 0.00005xr99999999 2p2 5g -s2p2 9g 4 0.00005 0.02725 0.00015 0.00005 0.00005xr99999999 2p2 5g -s2p2 7i 2 0.01875 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 5g -s2p2 8i 2 0.01855 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 5g -s2p2 9i 2 0.01675 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 5g -sp3 4f 2 -0.94885 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 5g -sp3 5f 2 0.00205 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 5g -sp3 6f 2 -0.03085 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 5g -sp3 7f 2 -0.02505 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 5g -sp3 8f 2 -0.01995 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 5g -sp3 9f 2 -0.01625 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 6g -s2p2 7g 4 0.00005 0.04375 0.00015 0.00015 0.00005xr99999999 2p2 6g -s2p2 8g 4 0.00005 0.03375 0.00015 0.00005 0.00005xr99999999 2p2 6g -s2p2 9g 4 0.00005 0.02725 0.00015 0.00005 0.00005xr99999999 2p2 6g -s2p2 7i 2 -0.00425 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6g -s2p2 8i 2 0.00195 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6g -s2p2 9i 2 0.00415 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6g -sp3 4f 2 -0.67055 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 6g -sp3 5f 2 -0.35515 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 6g -sp3 6f 2 0.00215 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 6g -sp3 7f 2 -0.02335 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 6g -sp3 8f 2 -0.02065 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 6g -sp3 9f 2 -0.01745 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 7g -s2p2 8g 4 0.00005 0.03005 0.00015 0.00005 0.00005xr99999999 2p2 7g -s2p2 9g 4 0.00005 0.02425 0.00015 0.00005 0.00005xr99999999 2p2 7g -s2p2 7i 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7g -s2p2 8i 2 -0.00225 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7g -s2p2 9i 2 -0.00055 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 7g -sp3 4f 2 -0.50685 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 7g -sp3 5f 2 -0.31755 -0.00045 0.00005 0.00005 0.00005xr99999999 2p2 7g -sp3 6f 2 -0.15975 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 7g -sp3 7f 2 0.00195 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 7g -sp3 8f 2 -0.01615 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 7g -sp3 9f 2 -0.01535 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 8g -s2p2 9g 4 0.00005 0.02115 0.00005 0.00005 0.00005xr99999999 2p2 8g -s2p2 7i 2 0.00015 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8g -s2p2 8i 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8g -s2p2 9i 2 -0.00125 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8g -sp3 4f 2 -0.40195 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 8g -sp3 5f 2 -0.26835 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 8g -sp3 6f 2 -0.15985 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 8g -sp3 7f 2 -0.08135 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 8g -sp3 8f 2 0.00165 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 8g -sp3 9f 2 -0.01115 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 9g -s2p2 7i 2 0.00015 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9g -s2p2 8i 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9g -s2p2 9i 2 0.00005 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9g -sp3 4f 2 -0.32965 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 9g -sp3 5f 2 -0.22745 -0.00035 0.00005 0.00005 0.00005xr99999999 2p2 9g -sp3 6f 2 -0.14445 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 9g -sp3 7f 2 -0.08725 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 9g -sp3 8f 2 -0.04545 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 9g -sp3 9f 2 0.00135 -0.00025 0.00005 0.00005 0.00005xr99999999 2p2 7i -s2p2 8i 4 0.00005 0.00725 0.00005 0.00005 0.00005xr99999999 2p2 7i -s2p2 9i 4 0.00005 0.00505 0.00005 0.00005 0.00005xr99999999 2p2 8i -s2p2 9i 4 0.00005 0.00605 0.00005 0.00005 0.00005xr99999999 p4 -sp3 4p 4 1.87705 11.10765 1.43005 6.05215 0.00005xr99999999 p4 -sp3 5p 4 1.08255 6.39255 0.80525 3.36045 0.00005xr99999999 p4 -sp3 6p 4 0.73255 4.32265 0.53915 2.23725 0.00005xr99999999 p4 -sp3 7p 4 0.53925 3.18045 0.39455 1.63245 0.00005xr99999999 p4 -sp3 8p 4 0.41865 2.46875 0.30525 1.26075 0.00005xr99999999 p4 -sp3 9p 4 0.33735 1.98905 0.24545 1.01245 0.00005xr99999999 p4 -sp3 4f 1 -0.54445 0.00005 0.00005 0.00005 0.00005xr99999999 p4 -sp3 5f 1 -0.51735 0.00005 0.00005 0.00005 0.00005xr99999999 p4 -sp3 6f 1 -0.44895 0.00005 0.00005 0.00005 0.00005xr99999999 p4 -sp3 7f 1 -0.38455 0.00005 0.00005 0.00005 0.00005xr99999999 p4 -sp3 8f 1 -0.33095 0.00005 0.00005 0.00005 0.00005xr99999999 p4 -sp3 9f 1 -0.28725 0.00005 0.00005 0.00005 0.00005xr99999999 p3 4p -sp3 5p 6 0.00005 1.42105 0.00005 2.35425 1.14105xr99999999 0.98945 p3 4p -sp3 6p 6 0.00005 0.96795 0.00005 1.51865 0.77185xr99999999 0.67405 p3 4p -sp3 7p 6 0.00005 0.71485 0.00005 1.09245 0.56795xr99999999 0.49775 p3 4p -sp3 8p 6 0.00005 0.55615 0.00005 0.83675 0.44085xr99999999 0.38715 p3 4p -sp3 9p 6 0.00005 0.44875 0.00005 0.66835 0.35525xr99999999 0.31235 p3 4p -sp3 4f 2 0.80335 -0.01105 0.00005 0.00005 0.00005xr99999999 p3 4p -sp3 5f 2 0.64235 -0.01275 0.00005 0.00005 0.00005xr99999999 p3 4p -sp3 6f 2 0.50875 -0.01215 0.00005 0.00005 0.00005xr99999999 p3 4p -sp3 7f 2 0.41205 -0.01095 0.00005 0.00005 0.00005xr99999999 p3 4p -sp3 8f 2 0.34155 -0.00975 0.00005 0.00005 0.00005xr99999999 p3 4p -sp3 9f 2 0.28865 -0.00865 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 6p 6 0.00005 0.56875 0.00005 1.00425 0.44705xr99999999 0.39915 p3 5p -sp3 7p 6 0.00005 0.42025 0.00005 0.72065 0.32915xr99999999 0.29515 p3 5p -sp3 8p 6 0.00005 0.32705 0.00005 0.55185 0.25565xr99999999 0.22975 p3 5p -sp3 9p 6 0.00005 0.26395 0.00005 0.44075 0.20605xr99999999 0.18545 p3 5p -sp3 4f 2 0.04635 -0.00235 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 5f 2 0.15675 -0.00355 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 6f 2 0.15665 -0.00365 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 7f 2 0.13985 -0.00345 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 8f 2 0.12225 -0.00315 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 9f 2 0.10685 -0.00285 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 7p 6 0.00005 0.28665 0.00005 0.51355 0.22315xr99999999 0.20185 p3 6p -sp3 8p 6 0.00005 0.22315 0.00005 0.39285 0.17325xr99999999 0.15715 p3 6p -sp3 9p 6 0.00005 0.18005 0.00005 0.31375 0.13965xr99999999 0.12695 p3 6p -sp3 4f 2 0.05405 -0.00045 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 5f 2 0.03955 -0.00135 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 6f 2 0.05925 -0.00155 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 7f 2 0.05975 -0.00155 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 8f 2 0.05545 -0.00145 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 9f 2 0.05015 -0.00135 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 8p 6 0.00005 0.16495 0.00005 0.29645 0.12765xr99999999 0.11635 p3 7p -sp3 9p 6 0.00005 0.13315 0.00005 0.23665 0.10295xr99999999 0.09395 p3 7p -sp3 4f 2 0.03915 0.00015 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 5f 2 0.03755 -0.00055 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 6f 2 0.02795 -0.00085 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 7f 2 0.03115 -0.00085 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 8f 2 0.03035 -0.00085 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 9f 2 0.02825 -0.00075 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 9p 6 0.00005 0.10365 0.00005 0.18635 0.07995xr99999999 0.07315 p3 8p -sp3 4f 2 0.02975 0.00035 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 5f 2 0.02895 -0.00025 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 6f 2 0.02515 -0.00045 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 7f 2 0.01955 -0.00055 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 8f 2 0.01935 -0.00055 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 9f 2 0.01825 -0.00055 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 4f 2 0.02345 0.00035 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 5f 2 0.02305 -0.00015 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 6f 2 0.02025 -0.00035 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 7f 2 0.01735 -0.00035 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 8f 2 0.01395 -0.00035 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 9f 2 0.01305 -0.00035 0.00005 0.00005 0.00005xr99999999 p3 4f -sp3 5f 6 0.00005 0.00285 0.00005 0.26005 0.01105xr99999999 0.00715 p3 4f -sp3 6f 6 0.00005 0.00245 0.00005 0.18415 0.00955xr99999999 0.00615 p3 4f -sp3 7f 6 0.00005 0.00215 0.00005 0.14085 0.00815xr99999999 0.00525 p3 4f -sp3 8f 6 0.00005 0.00185 0.00005 0.11285 0.00695xr99999999 0.00455 p3 4f -sp3 9f 6 0.00005 0.00165 0.00005 0.09325 0.00605xr99999999 0.00395 p3 5f -sp3 6f 6 0.00005 0.00235 0.00005 0.16275 0.00895xr99999999 0.00575 p3 5f -sp3 7f 6 0.00005 0.00205 0.00005 0.12495 0.00765xr99999999 0.00495 p3 5f -sp3 8f 6 0.00005 0.00175 0.00005 0.10035 0.00655xr99999999 0.00425 p3 5f -sp3 9f 6 0.00005 0.00155 0.00005 0.08315 0.00565xr99999999 0.00365 p3 6f -sp3 7f 6 0.00005 0.00185 0.00005 0.10355 0.00655xr99999999 0.00425 p3 6f -sp3 8f 6 0.00005 0.00155 0.00005 0.08335 0.00565xr99999999 0.00365 p3 6f -sp3 9f 6 0.00005 0.00135 0.00005 0.06915 0.00495xr99999999 0.00315 p3 7f -sp3 8f 6 0.00005 0.00135 0.00005 0.06925 0.00485xr99999999 0.00315 p3 7f -sp3 9f 6 0.00005 0.00115 0.00005 0.05745 0.00415xr99999999 0.00275 p3 8f -sp3 9f 6 0.00005 0.00105 0.00005 0.04835 0.00355xr99999999 0.00235 i s2p2 4s p i s2p2 4s -6.22538( 3p//r2// 3p)1.0000xr 100 100 i s2p2 4s p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 3d -56.58089( 4s//r2// 3d)-0.998xr -86 -95 i s2p2 4s p i s2p2 4d 10.90738( 4s//r2// 4d)0.3399xr -20 -44 i s2p2 4s p i s2p2 5d 10.24109( 4s//r2// 5d)0.4901xr -5 -17 i s2p2 4s p i s2p2 6d 7.70007( 4s//r2// 6d)0.5053xr 0 -3 i s2p2 4s p i s2p2 7d 5.89057( 4s//r2// 7d)0.5002xr 0 4 i s2p2 4s p i s2p2 8d 4.66419( 4s//r2// 8d)0.4931xr 1 9 i s2p2 4s p i s2p2 9d 3.80631( 4s//r2// 9d)0.4867xr 1 12 i s2p2 4s p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4s p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 5s -6.07868( 3p//r2// 3p)1.0000xr 100 100 i s2p2 5s p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 3d 107.56038( 5s//r2// 3d)0.9236xr 41 54 i s2p2 5s p i s2p2 4d -246.32078( 5s//r2// 4d)-0.996xr -83 -96 i s2p2 5s p i s2p2 5d 27.49080( 5s//r2// 5d)0.1737xr -25 -49 i s2p2 5s p i s2p2 6d 25.60362( 5s//r2// 6d)0.2405xr -11 -32 i s2p2 5s p i s2p2 7d 19.35406( 5s//r2// 7d)0.2416xr -6 -24 i s2p2 5s p i s2p2 8d 14.96291( 5s//r2// 8d)0.2356xr -4 -19 i s2p2 5s p i s2p2 9d 11.97240( 5s//r2// 9d)0.2299xr -2 -16 i s2p2 5s p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5s p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 6s -6.05177( 3p//r2// 3p)1.0000xr 100 100 i s2p2 6s p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 3d -15.62097( 6s//r2// 3d)-0.203xr 7 16 i s2p2 6s p i s2p2 4d 373.07445( 6s//r2// 4d)0.9129xr 45 58 i s2p2 6s p i s2p2 5d -715.20224( 6s//r2// 5d)-0.985xr -81 -95 i s2p2 6s p i s2p2 6d 55.81705( 6s//r2// 6d)0.1132xr -27 -48 i s2p2 6s p i s2p2 7d 51.03656( 6s//r2// 7d)0.1480xr -14 -34 i s2p2 6s p i s2p2 8d 38.28381( 6s//r2// 8d)0.1435xr -9 -28 i s2p2 6s p i s2p2 9d 29.55938( 6s//r2// 9d)0.1367xr -6 -24 i s2p2 6s p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6s p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 7s -6.04313( 3p//r2// 3p)1.0000xr 100 100 i s2p2 7s p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 3d -6.05093( 7s//r2// 3d)-0.123xr 3 12 i s2p2 7s p i s2p2 4d -27.65780( 7s//r2// 4d)-0.101xr 9 20 i s2p2 7s p i s2p2 5d 960.05842( 7s//r2// 5d)0.9047xr 47 60 i s2p2 7s p i s2p2 6d -1648.78784( 7s//r2// 6d)-0.975xr -79 -93 i s2p2 7s p i s2p2 7d 98.77027( 7s//r2// 7d)0.0824xr -27 -46 i s2p2 7s p i s2p2 8d 89.72637( 7s//r2// 8d)0.1037xr -15 -33 i s2p2 7s p i s2p2 9d 66.63153( 7s//r2// 9d)0.0973xr -10 -28 i s2p2 7s p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7s p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 8s -6.03948( 3p//r2// 3p)1.0000xr 100 100 i s2p2 8s p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 3d -3.46470( 8s//r2// 3d)-0.096xr 2 10 i s2p2 8s p i s2p2 4d -12.13368( 8s//r2// 4d)-0.065xr 5 14 i s2p2 8s p i s2p2 5d -42.26826( 8s//r2// 5d)-0.057xr 11 22 i s2p2 8s p i s2p2 6d 2072.90343( 8s//r2// 6d)0.9009xr 49 62 i s2p2 8s p i s2p2 7d -3278.00131( 8s//r2// 7d)-0.967xr -77 -92 i s2p2 8s p i s2p2 8d 159.08647( 8s//r2// 8d)0.0640xr -27 -44 i s2p2 8s p i s2p2 9d 145.09256( 8s//r2// 9d)0.0787xr -15 -32 i s2p2 8s p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8s p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 9s -6.03766( 3p//r2// 3p)1.0000xr 100 100 i s2p2 9s p i s2p2 3d -2.35022( 9s//r2// 3d)-0.084xr 1 10 i s2p2 9s p i s2p2 4d -7.14866( 9s//r2// 4d)-0.050xr 3 12 i s2p2 9s p i s2p2 5d -20.93373( 9s//r2// 5d)-0.040xr 6 15 i s2p2 9s p i s2p2 6d -65.31156( 9s//r2// 6d)-0.039xr 12 23 i s2p2 9s p i s2p2 7d 3964.19303( 9s//r2// 7d)0.9000xr 50 64 i s2p2 9s p i s2p2 8d -5879.94690( 9s//r2// 8d)-0.959xr -75 -90 i s2p2 9s p i s2p2 9d 239.43422( 9s//r2// 9d)0.0518xr -26 -42 i s2p2 9s p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9s p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i s2p2 4s -56.58089( 3d//r2// 4s)-0.998xr -86 -95 i s2p2 3d p i s2p2 5s 107.56038( 3d//r2// 5s)0.9236xr 41 54 i s2p2 3d p i s2p2 6s -15.62097( 3d//r2// 6s)-0.203xr 7 16 i s2p2 3d p i s2p2 7s -6.05093( 3d//r2// 7s)-0.123xr 3 12 i s2p2 3d p i s2p2 8s -3.46470( 3d//r2// 8s)-0.096xr 2 10 i s2p2 3d p i s2p2 9s -2.35022( 3d//r2// 9s)-0.084xr 1 10 i s2p2 3d p i s2p2 3d -109.26058( 3d//r2// 3d)1.0000xr 100 100 i s2p2 3d p i s2p2 4d 101.42322( 3d//r2// 4d)-0.829xr -5 -9 i s2p2 3d p i s2p2 5d 18.36205( 3d//r2// 5d)-0.249xr -4 -10 i s2p2 3d p i s2p2 6d 6.62950( 3d//r2// 6d)-0.128xr -3 -11 i s2p2 3d p i s2p2 7d 3.22988( 3d//r2// 7d)-0.082xr -2 -12 i s2p2 3d p i s2p2 8d 1.85990( 3d//r2// 8d)-0.059xr -2 -12 i s2p2 3d p i s2p2 9d 1.19010( 3d//r2// 9d)-0.046xr -1 -12 i s2p2 3d p i s2p2 5g 122.03875( 3d//r2// 5g)1.0000xr 26 100 i s2p2 3d p i s2p2 6g 76.62224( 3d//r2// 6g)0.9266xr 21 99 i s2p2 3d p i s2p2 7g 53.57143( 3d//r2// 7g)0.8570xr 16 97 i s2p2 3d p i s2p2 8g 40.36601( 3d//r2// 8g)0.8109xr 13 96 i s2p2 3d p i s2p2 9g 31.97217( 3d//r2// 9g)0.7798xr 11 95 i s2p2 3d p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 3d p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i s2p2 4s 10.90738( 4d//r2// 4s)0.3399xr -20 -44 i s2p2 4d p i s2p2 5s -246.32078( 4d//r2// 5s)-0.996xr -83 -96 i s2p2 4d p i s2p2 6s 373.07445( 4d//r2// 6s)0.9129xr 45 58 i s2p2 4d p i s2p2 7s -27.65780( 4d//r2// 7s)-0.101xr 9 20 i s2p2 4d p i s2p2 8s -12.13368( 4d//r2// 8s)-0.065xr 5 14 i s2p2 4d p i s2p2 9s -7.14866( 4d//r2// 9s)-0.050xr 3 12 i s2p2 4d p i s2p2 3d 101.42322( 4d//r2// 3d)-0.829xr -5 -9 i s2p2 4d p i s2p2 4d -434.27085( 4d//r2// 4d)1.0000xr 100 100 i s2p2 4d p i s2p2 5d 303.78711( 4d//r2// 5d)-0.721xr -3 -5 i s2p2 4d p i s2p2 6d 68.64277( 4d//r2// 6d)-0.255xr -2 -6 i s2p2 4d p i s2p2 7d 30.12420( 4d//r2// 7d)-0.153xr -2 -7 i s2p2 4d p i s2p2 8d 17.30324( 4d//r2// 8d)-0.112xr -1 -7 i s2p2 4d p i s2p2 9d 11.46968( 4d//r2// 9d)-0.091xr -1 -7 i s2p2 4d p i s2p2 5g -703.56676( 4d//r2// 5g)-0.998xr -77 -98 i s2p2 4d p i s2p2 6g -95.48006( 4d//r2// 6g)-0.239xr -33 -71 i s2p2 4d p i s2p2 7g -15.07911( 4d//r2// 7g)-0.053xr -19 -55 i s2p2 4d p i s2p2 8g 3.62363( 4d//r2// 8g)0.0163xr -12 -47 i s2p2 4d p i s2p2 9g 8.81922( 4d//r2// 9g)0.0487xr -9 -41 i s2p2 4d p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 4d p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i s2p2 4s 10.24109( 5d//r2// 4s)0.4901xr -5 -17 i s2p2 5d p i s2p2 5s 27.49080( 5d//r2// 5s)0.1737xr -25 -49 i s2p2 5d p i s2p2 6s -715.20224( 5d//r2// 6s)-0.985xr -81 -95 i s2p2 5d p i s2p2 7s 960.05842( 5d//r2// 7s)0.9047xr 47 60 i s2p2 5d p i s2p2 8s -42.26826( 5d//r2// 8s)-0.057xr 11 22 i s2p2 5d p i s2p2 9s -20.93373( 5d//r2// 9s)-0.040xr 6 15 i s2p2 5d p i s2p2 3d 18.36205( 5d//r2// 3d)-0.249xr -4 -10 i s2p2 5d p i s2p2 4d 303.78711( 5d//r2// 4d)-0.721xr -3 -5 i s2p2 5d p i s2p2 5d -1208.82364( 5d//r2// 5d)1.0000xr 100 100 i s2p2 5d p i s2p2 6d 709.84848( 5d//r2// 6d)-0.645xr -2 -3 i s2p2 5d p i s2p2 7d 170.08649( 5d//r2// 7d)-0.231xr -1 -3 i s2p2 5d p i s2p2 8d 77.80941( 5d//r2// 8d)-0.140xr -1 -4 i s2p2 5d p i s2p2 9d 46.04788( 5d//r2// 9d)-0.103xr -1 -4 i s2p2 5d p i s2p2 5g 1280.06232( 5d//r2// 5g)0.9329xr 61 71 i s2p2 5d p i s2p2 6g -1356.26298( 5d//r2// 6g)-0.885xr -47 -72 i s2p2 5d p i s2p2 7g -386.48616( 5d//r2// 7g)-0.385xr -31 -67 i s2p2 5d p i s2p2 8g -171.89950( 5d//r2// 8g)-0.226xr -22 -60 i s2p2 5d p i s2p2 9g -95.62426( 5d//r2// 9g)-0.156xr -16 -55 i s2p2 5d p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5d p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i s2p2 4s 7.70007( 6d//r2// 4s)0.5053xr 0 -3 i s2p2 6d p i s2p2 5s 25.60362( 6d//r2// 5s)0.2405xr -11 -32 i s2p2 6d p i s2p2 6s 55.81705( 6d//r2// 6s)0.1132xr -27 -48 i s2p2 6d p i s2p2 7s -1648.78784( 6d//r2// 7s)-0.975xr -79 -93 i s2p2 6d p i s2p2 8s 2072.90343( 6d//r2// 8s)0.9009xr 49 62 i s2p2 6d p i s2p2 9s -65.31156( 6d//r2// 9s)-0.039xr 12 23 i s2p2 6d p i s2p2 3d 6.62950( 6d//r2// 3d)-0.128xr -3 -11 i s2p2 6d p i s2p2 4d 68.64277( 6d//r2// 4d)-0.255xr -2 -6 i s2p2 6d p i s2p2 5d 709.84848( 6d//r2// 5d)-0.645xr -2 -3 i s2p2 6d p i s2p2 6d -2725.61552( 6d//r2// 6d)1.0000xr 100 100 i s2p2 6d p i s2p2 7d 1438.29717( 6d//r2// 7d)-0.597xr -1 -2 i s2p2 6d p i s2p2 8d 347.75592( 6d//r2// 8d)-0.208xr -1 -2 i s2p2 6d p i s2p2 9d 159.99022( 6d//r2// 9d)-0.124xr -1 -2 i s2p2 6d p i s2p2 5g -577.07371( 6d//r2// 5g)-0.481xr -2 -3 i s2p2 6d p i s2p2 6g 3457.79523( 6d//r2// 6g)0.9862xr 80 87 i s2p2 6d p i s2p2 7g -2202.37628( 6d//r2// 7g)-0.704xr -23 -38 i s2p2 6d p i s2p2 8g -763.11680( 6d//r2// 8g)-0.352xr -20 -45 i s2p2 6d p i s2p2 9g -384.64558( 6d//r2// 9g)-0.227xr -16 -45 i s2p2 6d p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6d p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i s2p2 4s 5.89057( 7d//r2// 4s)0.5002xr 0 4 i s2p2 7d p i s2p2 5s 19.35406( 7d//r2// 5s)0.2416xr -6 -24 i s2p2 7d p i s2p2 6s 51.03656( 7d//r2// 6s)0.1480xr -14 -34 i s2p2 7d p i s2p2 7s 98.77027( 7d//r2// 7s)0.0824xr -27 -46 i s2p2 7d p i s2p2 8s -3278.00131( 7d//r2// 8s)-0.967xr -77 -92 i s2p2 7d p i s2p2 9s 3964.19303( 7d//r2// 9s)0.9000xr 50 64 i s2p2 7d p i s2p2 3d 3.22988( 7d//r2// 3d)-0.082xr -2 -12 i s2p2 7d p i s2p2 4d 30.12420( 7d//r2// 4d)-0.153xr -2 -7 i s2p2 7d p i s2p2 5d 170.08649( 7d//r2// 5d)-0.231xr -1 -3 i s2p2 7d p i s2p2 6d 1438.29717( 7d//r2// 6d)-0.597xr -1 -2 i s2p2 7d p i s2p2 7d -5348.39884( 7d//r2// 7d)1.0000xr 100 100 i s2p2 7d p i s2p2 8d 2631.62978( 7d//r2// 8d)-0.566xr -1 -1 i s2p2 7d p i s2p2 9d 632.56170( 7d//r2// 9d)-0.191xr 0 -1 i s2p2 7d p i s2p2 5g -78.62453( 7d//r2// 5g)-0.095xr 0 0 i s2p2 7d p i s2p2 6g -1763.97265( 7d//r2// 6g)-0.547xr -5 -7 i s2p2 7d p i s2p2 7g 7167.21058( 7d//r2// 7g)0.9964xr 89 93 i s2p2 7d p i s2p2 8g -3313.14335( 7d//r2// 8g)-0.559xr -8 -13 i s2p2 7d p i s2p2 9g -1252.51855( 7d//r2// 9g)-0.296xr -12 -25 i s2p2 7d p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7d p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i s2p2 4s 4.66419( 8d//r2// 4s)0.4931xr 1 9 i s2p2 8d p i s2p2 5s 14.96291( 8d//r2// 5s)0.2356xr -4 -19 i s2p2 8d p i s2p2 6s 38.28381( 8d//r2// 6s)0.1435xr -9 -28 i s2p2 8d p i s2p2 7s 89.72637( 8d//r2// 7s)0.1037xr -15 -33 i s2p2 8d p i s2p2 8s 159.08647( 8d//r2// 8s)0.0640xr -27 -44 i s2p2 8d p i s2p2 9s -5879.94690( 8d//r2// 9s)-0.959xr -75 -90 i s2p2 8d p i s2p2 3d 1.85990( 8d//r2// 3d)-0.059xr -2 -12 i s2p2 8d p i s2p2 4d 17.30324( 8d//r2// 4d)-0.112xr -1 -7 i s2p2 8d p i s2p2 5d 77.80941( 8d//r2// 5d)-0.140xr -1 -4 i s2p2 8d p i s2p2 6d 347.75592( 8d//r2// 6d)-0.208xr -1 -2 i s2p2 8d p i s2p2 7d 2631.62978( 8d//r2// 7d)-0.566xr -1 -1 i s2p2 8d p i s2p2 8d -9512.37519( 8d//r2// 8d)1.0000xr 100 100 i s2p2 8d p i s2p2 9d 4456.21061( 8d//r2// 9d)-0.544xr 0 -1 i s2p2 8d p i s2p2 5g -31.55502( 8d//r2// 5g)-0.050xr 0 0 i s2p2 8d p i s2p2 6g -214.49724( 8d//r2// 6g)-0.094xr 0 -1 i s2p2 8d p i s2p2 7g -3981.66115( 8d//r2// 7g)-0.593xr -9 -12 i s2p2 8d p i s2p2 8g 12964.83442( 8d//r2// 8g)0.9988xr 93 95 i s2p2 8d p i s2p2 9g -4749.40852( 8d//r2// 9g)-0.457xr 0 0 i s2p2 8d p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8d p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i s2p2 4s 3.80631( 9d//r2// 4s)0.4867xr 1 12 i s2p2 9d p i s2p2 5s 11.97240( 9d//r2// 5s)0.2299xr -2 -16 i s2p2 9d p i s2p2 6s 29.55938( 9d//r2// 6s)0.1367xr -6 -24 i s2p2 9d p i s2p2 7s 66.63153( 9d//r2// 7s)0.0973xr -10 -28 i s2p2 9d p i s2p2 8s 145.09256( 9d//r2// 8s)0.0787xr -15 -32 i s2p2 9d p i s2p2 9s 239.43422( 9d//r2// 9s)0.0518xr -26 -42 i s2p2 9d p i s2p2 3d 1.19010( 9d//r2// 3d)-0.046xr -1 -12 i s2p2 9d p i s2p2 4d 11.46968( 9d//r2// 4d)-0.091xr -1 -7 i s2p2 9d p i s2p2 5d 46.04788( 9d//r2// 5d)-0.103xr -1 -4 i s2p2 9d p i s2p2 6d 159.99022( 9d//r2// 6d)-0.124xr -1 -2 i s2p2 9d p i s2p2 7d 632.56170( 9d//r2// 7d)-0.191xr 0 -1 i s2p2 9d p i s2p2 8d 4456.21061( 9d//r2// 8d)-0.544xr 0 -1 i s2p2 9d p i s2p2 9d -15724.32309( 9d//r2// 9d)1.0000xr 100 100 i s2p2 9d p i s2p2 5g -17.75925( 9d//r2// 5g)-0.035xr 0 0 i s2p2 9d p i s2p2 6g -83.51093( 9d//r2// 6g)-0.048xr 0 0 i s2p2 9d p i s2p2 7g -440.02411( 9d//r2// 7g)-0.091xr -1 -3 i s2p2 9d p i s2p2 8g -7663.50710( 9d//r2// 8g)-0.629xr -12 -16 i s2p2 9d p i s2p2 9g 21485.23213( 9d//r2// 9g)0.9992xr 94 97 i s2p2 9d p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9d p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i s2p2 3d 122.03875( 5g//r2// 3d)1.0000xr 26 100 i s2p2 5g p i s2p2 4d -703.56676( 5g//r2// 4d)-0.998xr -77 -98 i s2p2 5g p i s2p2 5d 1280.06232( 5g//r2// 5d)0.9329xr 61 71 i s2p2 5g p i s2p2 6d -577.07371( 5g//r2// 6d)-0.481xr -2 -3 i s2p2 5g p i s2p2 7d -78.62453( 5g//r2// 7d)-0.095xr 0 0 i s2p2 5g p i s2p2 8d -31.55502( 5g//r2// 8d)-0.050xr 0 0 i s2p2 5g p i s2p2 9d -17.75925( 5g//r2// 9d)-0.035xr 0 0 i s2p2 5g p i s2p2 5g -1261.33904( 5g//r2// 5g)1.0000xr 100 100 i s2p2 5g p i s2p2 6g 752.75416( 5g//r2// 6g)-0.632xr 0 0 i s2p2 5g p i s2p2 7g 162.90899( 5g//r2// 7g)-0.204xr 0 0 i s2p2 5g p i s2p2 8g 71.34550( 5g//r2// 8g)-0.118xr 0 0 i s2p2 5g p i s2p2 9g 41.35971( 5g//r2// 9g)-0.085xr 0 0 i s2p2 5g p i s2p2 7i 1586.13299( 5g//r2// 7i)1.0000xr 50 100 i s2p2 5g p i s2p2 8i 799.83789( 5g//r2// 8i)0.7571xr 37 93 i s2p2 5g p i s2p2 9i 490.60683( 5g//r2// 9i)0.5998xr 28 87 i s2p2 5g p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 5g p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i s2p2 3d 76.62224( 6g//r2// 3d)0.9266xr 21 99 i s2p2 6g p i s2p2 4d -95.48006( 6g//r2// 4d)-0.239xr -33 -71 i s2p2 6g p i s2p2 5d -1356.26298( 6g//r2// 5d)-0.885xr -47 -72 i s2p2 6g p i s2p2 6d 3457.79523( 6g//r2// 6d)0.9862xr 80 87 i s2p2 6g p i s2p2 7d -1763.97265( 6g//r2// 7d)-0.547xr -5 -7 i s2p2 6g p i s2p2 8d -214.49724( 6g//r2// 8d)-0.094xr 0 -1 i s2p2 6g p i s2p2 9d -83.51093( 6g//r2// 9d)-0.048xr 0 0 i s2p2 6g p i s2p2 5g 752.75416( 6g//r2// 5g)-0.632xr 0 0 i s2p2 6g p i s2p2 6g -3329.86763( 6g//r2// 6g)1.0000xr 100 100 i s2p2 6g p i s2p2 7g 1811.45559( 6g//r2// 7g)-0.602xr 0 0 i s2p2 6g p i s2p2 8g 407.38710( 6g//r2// 8g)-0.194xr 0 0 i s2p2 6g p i s2p2 9g 180.43981( 6g//r2// 9g)-0.111xr 0 0 i s2p2 6g p i s2p2 7i -4793.88442( 6g//r2// 7i)-0.981xr -81 -90 i s2p2 6g p i s2p2 8i 1138.99626( 6g//r2// 8i)0.3419xr -4 -8 i s2p2 6g p i s2p2 9i 891.74493( 6g//r2// 9i)0.3689xr 7 18 i s2p2 6g p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 6g p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i s2p2 3d 53.57143( 7g//r2// 3d)0.8570xr 16 97 i s2p2 7g p i s2p2 4d -15.07911( 7g//r2// 4d)-0.053xr -19 -55 i s2p2 7g p i s2p2 5d -386.48616( 7g//r2// 5d)-0.385xr -31 -67 i s2p2 7g p i s2p2 6d -2202.37628( 7g//r2// 6d)-0.704xr -23 -38 i s2p2 7g p i s2p2 7d 7167.21058( 7g//r2// 7d)0.9964xr 89 93 i s2p2 7g p i s2p2 8d -3981.66115( 7g//r2// 8d)-0.593xr -9 -12 i s2p2 7g p i s2p2 9d -440.02411( 7g//r2// 9d)-0.091xr -1 -3 i s2p2 7g p i s2p2 5g 162.90899( 7g//r2// 5g)-0.204xr 0 0 i s2p2 7g p i s2p2 6g 1811.45559( 7g//r2// 6g)-0.602xr 0 0 i s2p2 7g p i s2p2 7g -6966.93646( 7g//r2// 7g)1.0000xr 100 100 i s2p2 7g p i s2p2 8g 3521.12263( 7g//r2// 8g)-0.573xr 0 0 i s2p2 7g p i s2p2 9g 801.00468( 7g//r2// 9g)-0.182xr 0 0 i s2p2 7g p i s2p2 7i 4376.65368( 7g//r2// 7i)0.7466xr 29 38 i s2p2 7g p i s2p2 8i -9585.87441( 7g//r2// 8i)-0.990xr -82 -94 i s2p2 7g p i s2p2 9i 431.81746( 7g//r2// 9i)0.0631xr -24 -40 i s2p2 7g p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7g p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i s2p2 3d 40.36601( 8g//r2// 3d)0.8109xr 13 96 i s2p2 8g p i s2p2 4d 3.62363( 8g//r2// 4d)0.0163xr -12 -47 i s2p2 8g p i s2p2 5d -171.89950( 8g//r2// 5d)-0.226xr -22 -60 i s2p2 8g p i s2p2 6d -763.11680( 8g//r2// 6d)-0.352xr -20 -45 i s2p2 8g p i s2p2 7d -3313.14335( 8g//r2// 7d)-0.559xr -8 -13 i s2p2 8g p i s2p2 8d 12964.83442( 8g//r2// 8d)0.9988xr 93 95 i s2p2 8g p i s2p2 9d -7663.50710( 8g//r2// 9d)-0.629xr -12 -16 i s2p2 8g p i s2p2 5g 71.34550( 8g//r2// 5g)-0.118xr 0 0 i s2p2 8g p i s2p2 6g 407.38710( 8g//r2// 6g)-0.194xr 0 0 i s2p2 8g p i s2p2 7g 3521.12263( 8g//r2// 7g)-0.573xr 0 0 i s2p2 8g p i s2p2 8g -12768.77908( 8g//r2// 8g)1.0000xr 100 100 i s2p2 8g p i s2p2 9g 6115.39219( 8g//r2// 9g)-0.551xr 0 0 i s2p2 8g p i s2p2 7i -637.68868( 8g//r2// 7i)-0.142xr 2 4 i s2p2 8g p i s2p2 8i 10694.61847( 8g//r2// 8i)0.8534xr 43 53 i s2p2 8g p i s2p2 9i -16107.39021( 8g//r2// 9i)-0.966xr -75 -91 i s2p2 8g p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8g p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i s2p2 3d 31.97217( 9g//r2// 3d)0.7798xr 11 95 i s2p2 9g p i s2p2 4d 8.81922( 9g//r2// 4d)0.0487xr -9 -41 i s2p2 9g p i s2p2 5d -95.62426( 9g//r2// 5d)-0.156xr -16 -55 i s2p2 9g p i s2p2 6d -384.64558( 9g//r2// 6d)-0.227xr -16 -45 i s2p2 9g p i s2p2 7d -1252.51855( 9g//r2// 7d)-0.296xr -12 -25 i s2p2 9g p i s2p2 8d -4749.40852( 9g//r2// 8d)-0.457xr 0 0 i s2p2 9g p i s2p2 9d 21485.23213( 9g//r2// 9d)0.9992xr 94 97 i s2p2 9g p i s2p2 5g 41.35971( 9g//r2// 5g)-0.085xr 0 0 i s2p2 9g p i s2p2 6g 180.43981( 9g//r2// 6g)-0.111xr 0 0 i s2p2 9g p i s2p2 7g 801.00468( 9g//r2// 7g)-0.182xr 0 0 i s2p2 9g p i s2p2 8g 6115.39219( 9g//r2// 8g)-0.551xr 0 0 i s2p2 9g p i s2p2 9g -21423.40243( 9g//r2// 9g)1.0000xr 100 100 i s2p2 9g p i s2p2 7i -140.56258( 9g//r2// 7i)-0.042xr 1 2 i s2p2 9g p i s2p2 8i -1762.42821( 9g//r2// 8i)-0.178xr 4 6 i s2p2 9g p i s2p2 9i 20561.83182( 9g//r2// 9i)0.9062xr 53 64 i s2p2 9g p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9g p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i s2p2 5g 1586.13299( 7i//r2// 5g)1.0000xr 50 100 i s2p2 7i p i s2p2 6g -4793.88442( 7i//r2// 6g)-0.981xr -81 -90 i s2p2 7i p i s2p2 7g 4376.65368( 7i//r2// 7g)0.7466xr 29 38 i s2p2 7i p i s2p2 8g -637.68868( 7i//r2// 8g)-0.142xr 2 4 i s2p2 7i p i s2p2 9g -140.56258( 7i//r2// 9g)-0.042xr 1 2 i s2p2 7i p i s2p2 7i -5348.12157( 7i//r2// 7i)1.0000xr 100 100 i s2p2 7i p i s2p2 8i 2746.35712( 7i//r2// 8i)-0.566xr 0 0 i s2p2 7i p i s2p2 9i 509.56766( 7i//r2// 9i)-0.147xr 0 0 i s2p2 7i p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 7i p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i s2p2 5g 799.83789( 8i//r2// 5g)0.7571xr 37 93 i s2p2 8i p i s2p2 6g 1138.99626( 8i//r2// 6g)0.3419xr -4 -8 i s2p2 8i p i s2p2 7g -9585.87441( 8i//r2// 7g)-0.990xr -82 -94 i s2p2 8i p i s2p2 8g 10694.61847( 8i//r2// 8g)0.8534xr 43 53 i s2p2 8i p i s2p2 9g -1762.42821( 8i//r2// 9g)-0.178xr 4 6 i s2p2 8i p i s2p2 7i 2746.35712( 8i//r2// 7i)-0.566xr 0 0 i s2p2 8i p i s2p2 8i -11351.12702( 8i//r2// 8i)1.0000xr 100 100 i s2p2 8i p i s2p2 9i 5746.79038( 8i//r2// 9i)-0.568xr 0 0 i s2p2 8i p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 8i p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i s2p2 5g 490.60683( 9i//r2// 5g)0.5998xr 28 87 i s2p2 9i p i s2p2 6g 891.74493( 9i//r2// 6g)0.3689xr 7 18 i s2p2 9i p i s2p2 7g 431.81746( 9i//r2// 7g)0.0631xr -24 -40 i s2p2 9i p i s2p2 8g -16107.39021( 9i//r2// 8g)-0.966xr -75 -91 i s2p2 9i p i s2p2 9g 20561.83182( 9i//r2// 9g)0.9062xr 53 64 i s2p2 9i p i s2p2 7i 509.56766( 9i//r2// 7i)-0.147xr 0 0 i s2p2 9i p i s2p2 8i 5746.79038( 9i//r2// 8i)-0.568xr 0 0 i s2p2 9i p i s2p2 9i -20628.42479( 9i//r2// 9i)1.0000xr 100 100 i s2p2 9i p i sp4 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 4p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 5p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 6p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 7p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 8p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 9p 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 4f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 5f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 6f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 7f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 8f 0.00000( //r2// )0.0000xr 0 0 i s2p2 9i p i sp3 9f 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp4 p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp4 p i sp4 -7.19807( 3p//r2// 3p)1.0000xr 100 100 i sp4 p i sp3 4p 4.78409( 3p//r2// 4p)-0.811xr 0 0 i sp4 p i sp3 5p 2.14427( 3p//r2// 5p)-0.718xr 0 0 i sp4 p i sp3 6p 1.31831( 3p//r2// 6p)-0.670xr 0 0 i sp4 p i sp3 7p 0.92322( 3p//r2// 7p)-0.645xr 0 0 i sp4 p i sp3 8p 0.69536( 3p//r2// 8p)-0.630xr 0 0 i sp4 p i sp3 9p 0.54901( 3p//r2// 9p)-0.620xr 0 1 i sp4 p i sp3 4f -1.73338( 3p//r2// 4f)-1.000xr -3-100 i sp4 p i sp3 5f -1.45312( 3p//r2// 5f)-1.000xr -3-100 i sp4 p i sp3 6f -1.17820( 3p//r2// 6f)-0.999xr -2-100 i sp4 p i sp3 7f -0.96775( 3p//r2// 7f)-0.999xr -2-100 i sp4 p i sp3 8f -0.80943( 3p//r2// 8f)-0.999xr -1-100 i sp4 p i sp3 9f -0.68857( 3p//r2// 9f)-0.998xr -1-100 i sp3 4p p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 4p p i sp4 4.78409( 4p//r2// 3p)-0.811xr 0 0 i sp3 4p p i sp3 4p -92.36931( 4p//r2// 4p)1.0000xr 100 100 i sp3 4p p i sp3 5p 63.03138( 4p//r2// 5p)-0.715xr 0 -1 i sp3 4p p i sp3 6p 19.37262( 4p//r2// 6p)-0.386xr 0 -1 i sp3 4p p i sp3 7p 10.36330( 4p//r2// 7p)-0.295xr 0 -1 i sp3 4p p i sp3 8p 6.80350( 4p//r2// 8p)-0.255xr 0 -2 i sp3 4p p i sp3 9p 4.95599( 4p//r2// 9p)-0.234xr 0 -2 i sp3 4p p i sp3 4f 124.10558( 4p//r2// 4f)0.9999xr 57 100 i sp3 4p p i sp3 5f 48.14294( 4p//r2// 5f)0.7122xr 35 94 i sp3 4p p i sp3 6f 26.71913( 4p//r2// 6f)0.5616xr 24 89 i sp3 4p p i sp3 7f 17.59687( 4p//r2// 7f)0.4841xr 18 86 i sp3 4p p i sp3 8f 12.76857( 4p//r2// 8f)0.4388xr 14 84 i sp3 4p p i sp3 9f 9.85046( 4p//r2// 9f)0.4098xr 11 82 i sp3 5p p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 5p p i sp4 2.14427( 5p//r2// 3p)-0.718xr 0 0 i sp3 5p p i sp3 4p 63.03138( 5p//r2// 4p)-0.715xr 0 -1 i sp3 5p p i sp3 5p -386.59744( 5p//r2// 5p)1.0000xr 100 100 i sp3 5p p i sp3 6p 225.12380( 5p//r2// 6p)-0.643xr 0 0 i sp3 5p p i sp3 7p 63.49661( 5p//r2// 7p)-0.291xr 0 -1 i sp3 5p p i sp3 8p 32.41959( 5p//r2// 8p)-0.203xr 0 -1 i sp3 5p p i sp3 9p 20.71430( 5p//r2// 9p)-0.166xr 0 -1 i sp3 5p p i sp3 4f -460.16871( 5p//r2// 4f)-0.982xr -81 -87 i sp3 5p p i sp3 5f 268.04542( 5p//r2// 5f)0.6862xr 13 24 i sp3 5p p i sp3 6f 123.47899( 5p//r2// 6f)0.4945xr 14 38 i sp3 5p p i sp3 7f 73.21958( 5p//r2// 7f)0.3915xr 12 42 i sp3 5p p i sp3 8f 49.94279( 5p//r2// 8f)0.3362xr 10 44 i sp3 5p p i sp3 9f 37.04575( 5p//r2// 9f)0.3031xr 8 45 i sp3 6p p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 6p p i sp4 1.31831( 6p//r2// 3p)-0.670xr 0 0 i sp3 6p p i sp3 4p 19.37262( 6p//r2// 4p)-0.386xr 0 -1 i sp3 6p p i sp3 5p 225.12380( 6p//r2// 5p)-0.643xr 0 0 i sp3 6p p i sp3 6p -1085.93638( 6p//r2// 6p)1.0000xr 100 100 i sp3 6p p i sp3 7p 572.96693( 6p//r2// 7p)-0.598xr 0 0 i sp3 6p p i sp3 8p 153.40479( 6p//r2// 8p)-0.242xr 0 0 i sp3 6p p i sp3 9p 75.81894( 6p//r2// 9p)-0.159xr 0 -1 i sp3 6p p i sp3 4f 337.59487( 6p//r2// 4f)0.6828xr 11 17 i sp3 6p p i sp3 5f -1385.61926( 6p//r2// 5f)-0.998xr -91 -94 i sp3 6p p i sp3 6f 482.23871( 6p//r2// 6f)0.4599xr -5 -8 i sp3 6p p i sp3 7f 236.49208( 6p//r2// 7f)0.3329xr 2 6 i sp3 6p p i sp3 8f 143.82128( 6p//r2// 8f)0.2628xr 4 12 i sp3 6p p i sp3 9f 99.42139( 6p//r2// 9f)0.2241xr 4 16 i sp3 7p p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 7p p i sp4 0.92322( 7p//r2// 3p)-0.645xr 0 0 i sp3 7p p i sp3 4p 10.36330( 7p//r2// 4p)-0.295xr 0 -1 i sp3 7p p i sp3 5p 63.49661( 7p//r2// 5p)-0.291xr 0 -1 i sp3 7p p i sp3 6p 572.96693( 7p//r2// 6p)-0.598xr 0 0 i sp3 7p p i sp3 7p -2452.55800( 7p//r2// 7p)1.0000xr 100 100 i sp3 7p p i sp3 8p 1210.63043( 7p//r2// 8p)-0.567xr 0 0 i sp3 7p p i sp3 9p 312.26787( 7p//r2// 9p)-0.213xr 0 0 i sp3 7p p i sp3 4f 26.81776( 7p//r2// 4f)0.0835xr 2 5 i sp3 7p p i sp3 5f 1078.20983( 7p//r2// 5f)0.7225xr 17 24 i sp3 7p p i sp3 6f -3129.43108( 7p//r2// 6f)-0.999xr -93 -97 i sp3 7p p i sp3 7f 784.37017( 7p//r2// 7f)0.3338xr -14 -22 i sp3 7p p i sp3 8f 396.61140( 7p//r2// 8f)0.2396xr -3 -8 i sp3 7p p i sp3 9f 243.72123( 7p//r2// 9f)0.1877xr 0 -1 i sp3 8p p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 8p p i sp4 0.69536( 8p//r2// 3p)-0.630xr 0 0 i sp3 8p p i sp3 4p 6.80350( 8p//r2// 4p)-0.255xr 0 -2 i sp3 8p p i sp3 5p 32.41959( 8p//r2// 5p)-0.203xr 0 -1 i sp3 8p p i sp3 6p 153.40479( 8p//r2// 6p)-0.242xr 0 0 i sp3 8p p i sp3 7p 1210.63043( 8p//r2// 7p)-0.567xr 0 0 i sp3 8p p i sp3 8p -4814.15424( 8p//r2// 8p)1.0000xr 100 100 i sp3 8p p i sp3 9p 2265.24973( 8p//r2// 9p)-0.546xr 0 0 i sp3 8p p i sp3 4f 10.48454( 8p//r2// 4f)0.0455xr 0 3 i sp3 8p p i sp3 5f 72.80531( 8p//r2// 5f)0.0716xr 4 8 i sp3 8p p i sp3 6f 2529.09743( 8p//r2// 6f)0.7510xr 23 30 i sp3 8p p i sp3 7f -6056.35309( 8p//r2// 7f)-0.996xr -92 -97 i sp3 8p p i sp3 8f 1192.72210( 8p//r2// 8f)0.2582xr -18 -28 i sp3 8p p i sp3 9f 614.04917( 8p//r2// 9f)0.1838xr -7 -15 i sp3 9p p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 9p p i sp4 0.54901( 9p//r2// 3p)-0.620xr 0 1 i sp3 9p p i sp3 4p 4.95599( 9p//r2// 4p)-0.234xr 0 -2 i sp3 9p p i sp3 5p 20.71430( 9p//r2// 5p)-0.166xr 0 -1 i sp3 9p p i sp3 6p 75.81894( 9p//r2// 6p)-0.159xr 0 -1 i sp3 9p p i sp3 7p 312.26787( 9p//r2// 7p)-0.213xr 0 0 i sp3 9p p i sp3 8p 2265.24973( 9p//r2// 8p)-0.546xr 0 0 i sp3 9p p i sp3 9p -8564.02523( 9p//r2// 9p)1.0000xr 100 100 i sp3 9p p i sp3 4f 6.01145( 9p//r2// 4f)0.0336xr 0 2 i sp3 9p p i sp3 5f 26.63258( 9p//r2// 5f)0.0356xr 1 5 i sp3 9p p i sp3 6f 147.30006( 9p//r2// 6f)0.0618xr 5 10 i sp3 9p p i sp3 7f 5028.38146( 9p//r2// 7f)0.7722xr 27 35 i sp3 9p p i sp3 8f -10593.72532( 9p//r2// 8f)-0.993xr -91 -97 i sp3 9p p i sp3 9f 1726.47996( 9p//r2// 9f)0.2098xr -21 -31 i sp3 4f p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 4f p i sp4 -1.73338( 4f//r2// 3p)-1.000xr -3-100 i sp3 4f p i sp3 4p 124.10558( 4f//r2// 4p)0.9999xr 57 100 i sp3 4f p i sp3 5p -460.16871( 4f//r2// 5p)-0.982xr -81 -87 i sp3 4f p i sp3 6p 337.59487( 4f//r2// 6p)0.6828xr 11 17 i sp3 4f p i sp3 7p 26.81776( 4f//r2// 7p)0.0835xr 2 5 i sp3 4f p i sp3 8p 10.48454( 4f//r2// 8p)0.0455xr 0 3 i sp3 4f p i sp3 9p 6.01145( 4f//r2// 9p)0.0336xr 0 2 i sp3 4f p i sp3 4f -490.18851( 4f//r2// 4f)1.0000xr 100 100 i sp3 4f p i sp3 5f 322.98311( 4f//r2// 5f)-0.678xr 0 0 i sp3 4f p i sp3 6f 76.60695( 4f//r2// 6f)-0.251xr 0 0 i sp3 4f p i sp3 7f 35.56160( 4f//r2// 7f)-0.158xr 0 0 i sp3 4f p i sp3 8f 21.43226( 4f//r2// 8f)-0.121xr 0 0 i sp3 4f p i sp3 9f 14.77751( 4f//r2// 9f)-0.101xr 0 0 i sp3 5f p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 5f p i sp4 -1.45312( 5f//r2// 3p)-1.000xr -3-100 i sp3 5f p i sp3 4p 48.14294( 5f//r2// 4p)0.7122xr 35 94 i sp3 5f p i sp3 5p 268.04542( 5f//r2// 5p)0.6862xr 13 24 i sp3 5f p i sp3 6p -1385.61926( 5f//r2// 6p)-0.998xr -91 -94 i sp3 5f p i sp3 7p 1078.20983( 5f//r2// 7p)0.7225xr 17 24 i sp3 5f p i sp3 8p 72.80531( 5f//r2// 8p)0.0716xr 4 8 i sp3 5f p i sp3 9p 26.63258( 5f//r2// 9p)0.0356xr 1 5 i sp3 5f p i sp3 4f 322.98311( 5f//r2// 4f)-0.678xr 0 0 i sp3 5f p i sp3 5f -1530.00658( 5f//r2// 5f)1.0000xr 100 100 i sp3 5f p i sp3 6f 871.93963( 5f//r2// 6f)-0.625xr 0 0 i sp3 5f p i sp3 7f 209.72319( 5f//r2// 7f)-0.223xr 0 0 i sp3 5f p i sp3 8f 97.17021( 5f//r2// 8f)-0.136xr 0 0 i sp3 5f p i sp3 9f 58.27793( 5f//r2// 9f)-0.101xr 0 0 i sp3 6f p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 6f p i sp4 -1.17820( 6f//r2// 3p)-0.999xr -2-100 i sp3 6f p i sp3 4p 26.71913( 6f//r2// 4p)0.5616xr 24 89 i sp3 6f p i sp3 5p 123.47899( 6f//r2// 5p)0.4945xr 14 38 i sp3 6f p i sp3 6p 482.23871( 6f//r2// 6p)0.4599xr -5 -8 i sp3 6f p i sp3 7p -3129.43108( 6f//r2// 7p)-0.999xr -93 -97 i sp3 6f p i sp3 8p 2529.09743( 6f//r2// 8p)0.7510xr 23 30 i sp3 6f p i sp3 9p 147.30006( 6f//r2// 9p)0.0618xr 5 10 i sp3 6f p i sp3 4f 76.60695( 6f//r2// 4f)-0.251xr 0 0 i sp3 6f p i sp3 5f 871.93963( 6f//r2// 5f)-0.625xr 0 0 i sp3 6f p i sp3 6f -3548.31182( 6f//r2// 6f)1.0000xr 100 100 i sp3 6f p i sp3 7f 1842.34936( 6f//r2// 7f)-0.586xr 0 0 i sp3 6f p i sp3 8f 441.30765( 6f//r2// 8f)-0.201xr 0 0 i sp3 6f p i sp3 9f 202.86940( 6f//r2// 9f)-0.119xr 0 0 i sp3 7f p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 7f p i sp4 -0.96775( 7f//r2// 3p)-0.999xr -2-100 i sp3 7f p i sp3 4p 17.59687( 7f//r2// 4p)0.4841xr 18 86 i sp3 7f p i sp3 5p 73.21958( 7f//r2// 5p)0.3915xr 12 42 i sp3 7f p i sp3 6p 236.49208( 7f//r2// 6p)0.3329xr 2 6 i sp3 7f p i sp3 7p 784.37017( 7f//r2// 7p)0.3338xr -14 -22 i sp3 7f p i sp3 8p -6056.35309( 7f//r2// 8p)-0.996xr -92 -97 i sp3 7f p i sp3 9p 5028.38146( 7f//r2// 9p)0.7722xr 27 35 i sp3 7f p i sp3 4f 35.56160( 7f//r2// 4f)-0.158xr 0 0 i sp3 7f p i sp3 5f 209.72319( 7f//r2// 5f)-0.223xr 0 0 i sp3 7f p i sp3 6f 1842.34936( 7f//r2// 6f)-0.586xr 0 0 i sp3 7f p i sp3 7f -6994.28024( 7f//r2// 7f)1.0000xr 100 100 i sp3 7f p i sp3 8f 3409.11834( 7f//r2// 8f)-0.559xr 0 0 i sp3 7f p i sp3 9f 809.21205( 7f//r2// 9f)-0.185xr 0 0 i sp3 8f p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 8f p i sp4 -0.80943( 8f//r2// 3p)-0.999xr -1-100 i sp3 8f p i sp3 4p 12.76857( 8f//r2// 4p)0.4388xr 14 84 i sp3 8f p i sp3 5p 49.94279( 8f//r2// 5p)0.3362xr 10 44 i sp3 8f p i sp3 6p 143.82128( 8f//r2// 6p)0.2628xr 4 12 i sp3 8f p i sp3 7p 396.61140( 8f//r2// 7p)0.2396xr -3 -8 i sp3 8f p i sp3 8p 1192.72210( 8f//r2// 8p)0.2582xr -18 -28 i sp3 8f p i sp3 9p -10593.72532( 8f//r2// 9p)-0.993xr -91 -97 i sp3 8f p i sp3 4f 21.43226( 8f//r2// 4f)-0.121xr 0 0 i sp3 8f p i sp3 5f 97.17021( 8f//r2// 5f)-0.136xr 0 0 i sp3 8f p i sp3 6f 441.30765( 8f//r2// 6f)-0.201xr 0 0 i sp3 8f p i sp3 7f 3409.11834( 8f//r2// 7f)-0.559xr 0 0 i sp3 8f p i sp3 8f -12398.89531( 8f//r2// 8f)1.0000xr 100 100 i sp3 8f p i sp3 9f 5774.31342( 8f//r2// 9f)-0.540xr 0 0 i sp3 9f p i s2p2 4s 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 5s 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 6s 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 7s 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 8s 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 9s 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 3d 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 4d 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 5d 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 6d 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 7d 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 8d 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 9d 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 5g 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 6g 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 7g 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 8g 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 9g 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 7i 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 8i 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i s2p2 9i 0.00000( //r2// )0.0000xr 0 0 i sp3 9f p i sp4 -0.68857( 9f//r2// 3p)-0.998xr -1-100 i sp3 9f p i sp3 4p 9.85046( 9f//r2// 4p)0.4098xr 11 82 i sp3 9f p i sp3 5p 37.04575( 9f//r2// 5p)0.3031xr 8 45 i sp3 9f p i sp3 6p 99.42139( 9f//r2// 6p)0.2241xr 4 16 i sp3 9f p i sp3 7p 243.72123( 9f//r2// 7p)0.1877xr 0 -1 i sp3 9f p i sp3 8p 614.04917( 9f//r2// 8p)0.1838xr -7 -15 i sp3 9f p i sp3 9p 1726.47996( 9f//r2// 9p)0.2098xr -21 -31 i sp3 9f p i sp3 4f 14.77751( 9f//r2// 4f)-0.101xr 0 0 i sp3 9f p i sp3 5f 58.27793( 9f//r2// 5f)-0.101xr 0 0 i sp3 9f p i sp3 6f 202.86940( 9f//r2// 6f)-0.119xr 0 0 i sp3 9f p i sp3 7f 809.21205( 9f//r2// 7f)-0.185xr 0 0 i sp3 9f p i sp3 8f 5774.31342( 9f//r2// 8f)-0.540xr 0 0 i sp3 9f p i sp3 9f -20375.20014( 9f//r2// 9f)1.0000xr 100 100 i s2p3 p i s2p2 4s 1.32792( 3p//r1// 4s)0.7711xr 19 42 i s2p3 p i s2p2 5s 0.45407( 3p//r1// 5s)0.5824xr 7 32 i s2p3 p i s2p2 6s 0.25525( 3p//r1// 6s)0.5230xr 4 29 i s2p3 p i s2p2 7s 0.17074( 3p//r1// 7s)0.4960xr 2 28 i s2p3 p i s2p2 8s 0.12501( 3p//r1// 8s)0.4810xr 2 27 i s2p3 p i s2p2 9s 0.09680( 3p//r1// 9s)0.4715xr 1 27 i s2p3 p i s2p2 3d 2.11810( 3p//r1// 3d)-0.999xr -40 -99 i s2p3 p i s2p2 4d 1.38109( 3p//r1// 4d)-0.975xr -30 -98 i s2p3 p i s2p2 5d 0.89337( 3p//r1// 5d)-0.935xr -21 -97 i s2p3 p i s2p2 6d 0.61985( 3p//r1// 6d)-0.903xr -15 -96 i s2p3 p i s2p2 7d 0.45865( 3p//r1// 7d)-0.879xr -11 -95 i s2p3 p i s2p2 8d 0.35620( 3p//r1// 8d)-0.861xr -9 -94 i s2p3 p i s2p2 9d 0.28674( 3p//r1// 9d)-0.848xr -7 -94 i s2p3 p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i sp4 2.01962( 3s//r1// 3p)-1.000xr -96-100 i s2p3 p i sp3 4p 0.00624( 3s//r1// 4p)-0.011xr -11 -48 i s2p3 p i sp3 5p -0.00793( 3s//r1// 5p)0.0233xr -6 -44 i s2p3 p i sp3 6p -0.00819( 3s//r1// 6p)0.0352xr -4 -43 i s2p3 p i sp3 7p -0.00704( 3s//r1// 7p)0.0408xr -3 -42 i s2p3 p i sp3 8p -0.00590( 3s//r1// 8p)0.0439xr -2 -42 i s2p3 p i sp3 9p -0.00497( 3s//r1// 9p)0.0457xr -1 -41 i s2p3 p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p3 p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i s2p2 4s -6.75741( 4p//r1// 4s)-0.998xr -89 -99 i s2p2 4p p i s2p2 5s 6.20203( 4p//r1// 5s)0.8051xr 38 55 i s2p2 4p p i s2p2 6s 1.34070( 4p//r1// 6s)0.3161xr 12 32 i s2p2 4p p i s2p2 7s 0.68757( 4p//r1// 7s)0.2402xr 7 27 i s2p2 4p p i s2p2 8s 0.44712( 4p//r1// 8s)0.2101xr 5 25 i s2p2 4p p i s2p2 9s 0.32471( 4p//r1// 9s)0.1946xr 3 24 i s2p2 4p p i s2p2 3d -11.98948( 4p//r1// 3d)0.9859xr 91 93 i s2p2 4p p i s2p2 4d 4.27570( 4p//r1// 4d)-0.531xr -9 -17 i s2p2 4p p i s2p2 5d 2.64743( 4p//r1// 5d)-0.522xr -12 -36 i s2p2 4p p i s2p2 6d 1.76213( 4p//r1// 6d)-0.479xr -10 -42 i s2p2 4p p i s2p2 7d 1.27389( 4p//r1// 7d)-0.450xr -8 -44 i s2p2 4p p i s2p2 8d 0.97694( 4p//r1// 8d)-0.430xr -7 -45 i s2p2 4p p i s2p2 9d 0.78122( 4p//r1// 9d)-0.416xr -5 -46 i s2p2 4p p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4p p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i s2p2 4s -0.54389( 5p//r1// 4s)-0.160xr -23 -53 i s2p2 5p p i s2p2 5s -13.62654( 5p//r1// 5s)-0.979xr -83 -96 i s2p2 5p p i s2p2 6s 12.89882( 5p//r1// 6s)0.8175xr 45 61 i s2p2 5p p i s2p2 7s 2.49150( 5p//r1// 7s)0.2580xr 14 32 i s2p2 5p p i s2p2 8s 1.23308( 5p//r1// 8s)0.1802xr 8 26 i s2p2 5p p i s2p2 9s 0.78938( 5p//r1// 9s)0.1498xr 6 23 i s2p2 5p p i s2p2 3d 5.64128( 5p//r1// 3d)-0.552xr -10 -17 i s2p2 5p p i s2p2 4d -24.76577( 5p//r1// 4d)0.9965xr 94 97 i s2p2 5p p i s2p2 5d 7.66487( 5p//r1// 5d)-0.435xr -5 -9 i s2p2 5p p i s2p2 6d 4.17196( 5p//r1// 6d)-0.363xr -8 -20 i s2p2 5p p i s2p2 7d 2.72231( 5p//r1// 7d)-0.317xr -7 -24 i s2p2 5p p i s2p2 8d 1.96997( 5p//r1// 8d)-0.290xr -6 -25 i s2p2 5p p i s2p2 9d 1.51950( 5p//r1// 9d)-0.273xr -5 -26 i s2p2 5p p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5p p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i s2p2 4s -0.18175( 6p//r1// 4s)-0.084xr -12 -45 i s2p2 6p p i s2p2 5s -1.36426( 6p//r1// 5s)-0.167xr -24 -48 i s2p2 6p p i s2p2 6s -22.73457( 6p//r1// 6s)-0.962xr -79 -93 i s2p2 6p p i s2p2 7s 21.65969( 6p//r1// 7s)0.8231xr 48 64 i s2p2 6p p i s2p2 8s 3.94580( 6p//r1// 8s)0.2280xr 16 32 i s2p2 6p p i s2p2 9s 1.90684( 6p//r1// 9s)0.1499xr 9 25 i s2p2 6p p i s2p2 3d 1.41712( 6p//r1// 3d)-0.236xr -2 -7 i s2p2 6p p i s2p2 4d 9.12848( 6p//r1// 4d)-0.460xr -6 -10 i s2p2 6p p i s2p2 5d -41.90452( 6p//r1// 5d)0.9986xr 97 98 i s2p2 6p p i s2p2 6d 11.79424( 6p//r1// 6d)-0.384xr -3 -5 i s2p2 6p p i s2p2 7d 5.92489( 6p//r1// 7d)-0.285xr -5 -12 i s2p2 6p p i s2p2 8d 3.79238( 6p//r1// 8d)-0.238xr -5 -15 i s2p2 6p p i s2p2 9d 2.73063( 6p//r1// 9d)-0.212xr -4 -16 i s2p2 6p p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6p p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i s2p2 4s -0.08747( 7p//r1// 4s)-0.056xr -8 -41 i s2p2 7p p i s2p2 5s -0.50886( 7p//r1// 5s)-0.092xr -13 -39 i s2p2 7p p i s2p2 6s -2.46739( 7p//r1// 6s)-0.163xr -24 -44 i s2p2 7p p i s2p2 7s -34.12090( 7p//r1// 7s)-0.950xr -77 -91 i s2p2 7p p i s2p2 8s 32.51973( 7p//r1// 8s)0.8260xr 51 66 i s2p2 7p p i s2p2 9s 5.70835( 7p//r1// 9s)0.2092xr 16 31 i s2p2 7p p i s2p2 3d 0.73629( 7p//r1// 3d)-0.175xr -1 -5 i s2p2 7p p i s2p2 4d 2.67330( 7p//r1// 4d)-0.212xr -1 -3 i s2p2 7p p i s2p2 5d 13.30292( 7p//r1// 5d)-0.404xr -4 -6 i s2p2 7p p i s2p2 6d -63.30081( 7p//r1// 6d)0.9993xr 98 99 i s2p2 7p p i s2p2 7d 16.59627( 7p//r1// 7d)-0.351xr -2 -3 i s2p2 7p p i s2p2 8d 7.91916( 7p//r1// 8d)-0.240xr -4 -8 i s2p2 7p p i s2p2 9d 4.98687( 7p//r1// 9d)-0.193xr -3 -10 i s2p2 7p p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7p p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i s2p2 4s -0.04965( 8p//r1// 4s)-0.042xr -6 -39 i s2p2 8p p i s2p2 5s -0.27152( 8p//r1// 5s)-0.065xr -9 -35 i s2p2 8p p i s2p2 6s -0.95720( 8p//r1// 6s)-0.089xr -14 -35 i s2p2 8p p i s2p2 7s -3.83719( 8p//r1// 7s)-0.156xr -24 -41 i s2p2 8p p i s2p2 8s -47.79329( 8p//r1// 8s)-0.940xr -75 -90 i s2p2 8p p i s2p2 9s 45.49085( 8p//r1// 9s)0.8282xr 52 67 i s2p2 8p p i s2p2 3d 0.48049( 8p//r1// 3d)-0.150xr 0 -4 i s2p2 8p p i s2p2 4d 1.43020( 8p//r1// 4d)-0.154xr 0 -2 i s2p2 8p p i s2p2 5d 4.15068( 8p//r1// 5d)-0.188xr 0 -1 i s2p2 8p p i s2p2 6d 18.59175( 8p//r1// 6d)-0.374xr -3 -4 i s2p2 8p p i s2p2 7d -88.93742( 8p//r1// 7d)0.9996xr 98 99 i s2p2 8p p i s2p2 8d 22.06241( 8p//r1// 8d)-0.328xr -1 -1 i s2p2 8p p i s2p2 9d 10.15921( 8p//r1// 9d)-0.211xr -2 -5 i s2p2 8p p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8p p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i s2p2 4s -0.03089( 9p//r1// 4s)-0.032xr -4 -38 i s2p2 9p p i s2p2 5s -0.17116( 9p//r1// 5s)-0.052xr -6 -33 i s2p2 9p p i s2p2 6s -0.52679( 9p//r1// 6s)-0.063xr -9 -31 i s2p2 9p p i s2p2 7s -1.51434( 9p//r1// 7s)-0.084xr -14 -32 i s2p2 9p p i s2p2 8s -5.47179( 9p//r1// 8s)-0.151xr -23 -39 i s2p2 9p p i s2p2 9s -63.75515( 9p//r1// 9s)-0.934xr -74 -89 i s2p2 9p p i s2p2 3d 0.35006( 9p//r1// 3d)-0.137xr 0 -3 i s2p2 9p p i s2p2 4d 0.94376( 9p//r1// 4d)-0.129xr 0 -1 i s2p2 9p p i s2p2 5d 2.24567( 9p//r1// 5d)-0.134xr 0 0 i s2p2 9p p i s2p2 6d 5.96121( 9p//r1// 6d)-0.172xr 0 0 i s2p2 9p p i s2p2 7d 25.07492( 9p//r1// 7d)-0.358xr -2 -3 i s2p2 9p p i s2p2 8d -118.80957( 9p//r1// 8d)0.9998xr 99 99 i s2p2 9p p i s2p2 9d 28.19241( 9p//r1// 9d)-0.311xr 0 0 i s2p2 9p p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9p p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i s2p2 3d 13.98603( 4f//r1// 3d)1.0000xr 63 100 i s2p2 4f p i s2p2 4d -28.54789( 4f//r1// 4d)-0.962xr -81 -89 i s2p2 4f p i s2p2 5d 10.40855( 4f//r1// 5d)0.4355xr 7 12 i s2p2 4f p i s2p2 6d 2.69847( 4f//r1// 6d)0.1714xr 2 5 i s2p2 4f p i s2p2 7d 1.36397( 4f//r1// 7d)0.1167xr 1 4 i s2p2 4f p i s2p2 8d 0.86927( 4f//r1// 8d)0.0942xr 1 3 i s2p2 4f p i s2p2 9d 0.62239( 4f//r1// 9d)0.0824xr 0 3 i s2p2 4f p i s2p2 5g -35.36908( 4f//r1// 5g)1.0000xr 79 100 i s2p2 4f p i s2p2 6g -10.51272( 4f//r1// 6g)0.5015xr 36 73 i s2p2 4f p i s2p2 7g -5.41012( 4f//r1// 7g)0.3555xr 22 62 i s2p2 4f p i s2p2 8g -3.46028( 4f//r1// 8g)0.2902xr 16 55 i s2p2 4f p i s2p2 9g -2.47954( 4f//r1// 9g)0.2547xr 12 52 i s2p2 4f p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 4f p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i s2p2 3d 5.59373( 5f//r1// 3d)0.7030xr 33 87 i s2p2 5f p i s2p2 4d 12.22121( 5f//r1// 4d)0.5536xr 17 31 i s2p2 5f p i s2p2 5d -51.93437( 5f//r1// 5d)-0.994xr -93 -96 i s2p2 5f p i s2p2 6d 23.01410( 5f//r1// 6d)0.5181xr 14 20 i s2p2 5f p i s2p2 7d 5.55561( 5f//r1// 7d)0.1846xr 4 9 i s2p2 5f p i s2p2 8d 2.76165( 5f//r1// 8d)0.1214xr 2 7 i s2p2 5f p i s2p2 9d 1.74701( 5f//r1// 9d)0.0953xr 1 5 i s2p2 5f p i s2p2 5g 45.06731( 5f//r1// 5g)-0.862xr -60 -70 i s2p2 5f p i s2p2 6g -44.84680( 5f//r1// 6g)0.8497xr 54 77 i s2p2 5f p i s2p2 7g -15.64849( 5f//r1// 7g)0.4423xr 30 61 i s2p2 5f p i s2p2 8g -8.54831( 5f//r1// 8g)0.3161xr 20 53 i s2p2 5f p i s2p2 9g -5.63080( 5f//r1// 9g)0.2572xr 15 48 i s2p2 5f p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 5f p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i s2p2 3d 3.29216( 6f//r1// 3d)0.5819xr 22 79 i s2p2 6f p i s2p2 4d 6.36284( 6f//r1// 4d)0.4415xr 14 38 i s2p2 6f p i s2p2 5d 9.86269( 6f//r1// 5d)0.2710xr -2 -4 i s2p2 6f p i s2p2 6d -78.26517( 6f//r1// 6d)-0.997xr -95 -98 i s2p2 6f p i s2p2 7d 39.09792( 6f//r1// 7d)0.5700xr 20 27 i s2p2 6f p i s2p2 8d 9.02103( 6f//r1// 8d)0.1878xr 6 12 i s2p2 6f p i s2p2 9d 4.43179( 6f//r1// 9d)0.1191xr 3 8 i s2p2 6f p i s2p2 5g -4.18337( 6f//r1// 5g)0.1129xr -4 -8 i s2p2 6f p i s2p2 6g 80.64653( 6f//r1// 6g)-0.944xr -75 -84 i s2p2 6f p i s2p2 7g -55.61191( 6f//r1// 7g)0.7262xr 40 59 i s2p2 6f p i s2p2 8g -20.52238( 6f//r1// 8g)0.3804xr 24 49 i s2p2 6f p i s2p2 9g -11.50946( 6f//r1// 9g)0.2712xr 17 43 i s2p2 6f p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6f p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i s2p2 3d 2.27044( 7f//r1// 3d)0.5226xr 16 75 i s2p2 7f p i s2p2 4d 4.12718( 7f//r1// 4d)0.3807xr 11 39 i s2p2 7f p i s2p2 5d 6.03907( 7f//r1// 5d)0.2414xr 2 5 i s2p2 7f p i s2p2 6d 7.55856( 7f//r1// 6d)0.1360xr -12 -18 i s2p2 7f p i s2p2 7d -108.30239( 7f//r1// 7d)-0.996xr -94 -98 i s2p2 7f p i s2p2 8d 58.60424( 7f//r1// 8d)0.6056xr 24 32 i s2p2 7f p i s2p2 9d 13.09164( 7f//r1// 9d)0.1868xr 8 14 i s2p2 7f p i s2p2 5g -1.32706( 7f//r1// 5g)0.0507xr -2 -5 i s2p2 7f p i s2p2 6g -8.88548( 7f//r1// 6g)0.1388xr -6 -9 i s2p2 7f p i s2p2 7g 120.87595( 7f//r1// 7g)-0.971xr -82 -90 i s2p2 7f p i s2p2 8g -67.62153( 7f//r1// 8g)0.6385xr 32 46 i s2p2 7f p i s2p2 9g -25.55302( 7f//r1// 9g)0.3318xr 20 39 i s2p2 7f p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7f p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i s2p2 3d 1.70459( 8f//r1// 3d)0.4885xr 13 73 i s2p2 8f p i s2p2 4d 2.99413( 8f//r1// 4d)0.3468xr 9 39 i s2p2 8f p i s2p2 5d 4.17104( 8f//r1// 5d)0.2157xr 3 9 i s2p2 8f p i s2p2 6d 5.46170( 8f//r1// 6d)0.1378xr -3 -8 i s2p2 8f p i s2p2 7d 5.22267( 8f//r1// 7d)0.0658xr -16 -24 i s2p2 8f p i s2p2 8d -142.32613( 8f//r1// 8d)-0.992xr -93 -98 i s2p2 8f p i s2p2 9d 81.50984( 8f//r1// 9d)0.6309xr 27 36 i s2p2 8f p i s2p2 5g -0.69050( 8f//r1// 5g)0.0338xr -1 -4 i s2p2 8f p i s2p2 6g -2.89066( 8f//r1// 6g)0.0621xr -3 -6 i s2p2 8f p i s2p2 7g -14.91475( 8f//r1// 7g)0.1554xr -6 -9 i s2p2 8f p i s2p2 8g 166.61551( 8f//r1// 8g)-0.983xr -87 -93 i s2p2 8f p i s2p2 9g -80.85270( 8f//r1// 9g)0.5752xr 26 37 i s2p2 8f p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8f p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i s2p2 3d 1.34886( 9f//r1// 3d)0.4670xr 10 71 i s2p2 9f p i s2p2 4d 2.31982( 9f//r1// 4d)0.3261xr 7 39 i s2p2 9f p i s2p2 5d 3.13162( 9f//r1// 5d)0.1995xr 3 11 i s2p2 9f p i s2p2 6d 3.98479( 9f//r1// 6d)0.1278xr -1 -3 i s2p2 9f p i s2p2 7d 4.78953( 9f//r1// 7d)0.0826xr -7 -14 i s2p2 9f p i s2p2 8d 2.72987( 9f//r1// 8d)0.0255xr -19 -27 i s2p2 9f p i s2p2 9d -180.45339( 9f//r1// 9d)-0.989xr -91 -98 i s2p2 9f p i s2p2 5g -0.44217( 9f//r1// 5g)0.0266xr -1 -4 i s2p2 9f p i s2p2 6g -1.51730( 9f//r1// 6g)0.0412xr -2 -5 i s2p2 9f p i s2p2 7g -4.92139( 9f//r1// 7g)0.0698xr -3 -7 i s2p2 9f p i s2p2 8g -22.31377( 9f//r1// 8g)0.1685xr -6 -9 i s2p2 9f p i s2p2 9g 218.12302( 9f//r1// 9g)-0.989xr -90 -95 i s2p2 9f p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9f p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i s2p2 5g 60.85220( 6h//r1// 5g)1.0000xr 83 100 i s2p2 6h p i s2p2 6g -66.74733( 6h//r1// 6g)-0.823xr -55 -65 i s2p2 6h p i s2p2 7g 5.31185( 6h//r1// 7g)0.0902xr -4 -7 i s2p2 6h p i s2p2 8g 1.56530( 6h//r1// 8g)0.0364xr -2 -4 i s2p2 6h p i s2p2 9g 0.77185( 6h//r1// 9g)0.0226xr -1 -3 i s2p2 6h p i s2p2 7i -94.82048( 6h//r1// 7i)1.0000xr 85 100 i s2p2 6h p i s2p2 8i -24.26616( 6h//r1// 8i)0.3994xr 36 63 i s2p2 6h p i s2p2 9i -11.30764( 6h//r1// 9i)0.2466xr 21 49 i s2p2 6h p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 6h p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i s2p2 5g 16.67547( 7h//r1// 5g)0.4419xr 36 68 i s2p2 7h p i s2p2 6g 73.92967( 7h//r1// 6g)0.8761xr 61 82 i s2p2 7h p i s2p2 7g -115.02516( 7h//r1// 7g)-0.921xr -70 -79 i s2p2 7h p i s2p2 8g 10.89365( 7h//r1// 8g)0.1141xr -5 -8 i s2p2 7h p i s2p2 9g 3.34517( 7h//r1// 9g)0.0469xr -3 -6 i s2p2 7h p i s2p2 7i 92.73342( 7h//r1// 7i)-0.789xr -51 -61 i s2p2 7h p i s2p2 8i -111.60985( 7h//r1// 8i)0.8951xr 65 86 i s2p2 7h p i s2p2 9i -34.90631( 7h//r1// 9i)0.3895xr 34 60 i s2p2 7h p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 7h p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i s2p2 5g 8.14691( 8h//r1// 5g)0.2914xr 22 54 i s2p2 8h p i s2p2 6g 24.29806( 8h//r1// 6g)0.4137xr 33 61 i s2p2 8h p i s2p2 7g 88.62951( 8h//r1// 7g)0.7672xr 47 66 i s2p2 8h p i s2p2 8g -167.57731( 8h//r1// 8g)-0.957xr -78 -86 i s2p2 8h p i s2p2 9g 17.82758( 8h//r1// 9g)0.1299xr -6 -9 i s2p2 8h p i s2p2 7i -6.68575( 8h//r1// 7i)0.0769xr -3 -6 i s2p2 8h p i s2p2 8i 155.53803( 8h//r1// 8i)-0.899xr -66 -76 i s2p2 8h p i s2p2 9i -130.21728( 8h//r1// 9i)0.7958xr 52 71 i s2p2 8h p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8h p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i s2p2 5g 5.03118( 9h//r1// 5g)0.2254xr 15 47 i s2p2 9h p i s2p2 6g 12.75956( 9h//r1// 6g)0.2788xr 22 51 i s2p2 9h p i s2p2 7g 31.21191( 9h//r1// 7g)0.3713xr 28 52 i s2p2 9h p i s2p2 8g 104.88221( 9h//r1// 8g)0.6858xr 38 54 i s2p2 9h p i s2p2 9g -225.90806( 9h//r1// 9g)-0.973xr -83 -90 i s2p2 9h p i s2p2 7i -1.85548( 9h//r1// 7i)0.0285xr -1 -4 i s2p2 9h p i s2p2 8i -13.41836( 9h//r1// 8i)0.0998xr -5 -8 i s2p2 9h p i s2p2 9i 221.82723( 9h//r1// 9i)-0.942xr -74 -83 i s2p2 9h p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9h p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i s2p2 7i 138.12717( 8k//r1// 7i)1.0000xr 87 100 i s2p2 8k p i s2p2 8i -122.96341( 8k//r1// 8i)-0.758xr -48 -58 i s2p2 8k p i s2p2 9i 8.16018( 8k//r1// 9i)0.0669xr -3 -5 i s2p2 8k p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 8k p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i s2p2 7i 33.27392( 9k//r1// 7i)0.3662xr 35 60 i s2p2 9k p i s2p2 8i 158.91562( 9k//r1// 8i)0.9093xr 69 88 i s2p2 9k p i s2p2 9i -202.04894( 9k//r1// 9i)-0.877xr -63 -72 i s2p2 9k p i sp4 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 4p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 5p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 6p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 7p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 8p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 9p 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i s2p2 9k p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i sp4 -1.25263( 4s//r1// 3p)0.7596xr 18 40 i sp3 4s p i sp3 4p 6.64339( 4s//r1// 4p)-0.998xr -89 -99 i sp3 4s p i sp3 5p 0.53513( 4s//r1// 5p)-0.160xr -23 -54 i sp3 4s p i sp3 6p 0.17586( 4s//r1// 6p)-0.083xr -12 -45 i sp3 4s p i sp3 7p 0.08267( 4s//r1// 7p)-0.055xr -8 -41 i sp3 4s p i sp3 8p 0.04558( 4s//r1// 8p)-0.039xr -6 -39 i sp3 4s p i sp3 9p 0.02739( 4s//r1// 9p)-0.030xr -4 -37 i sp3 4s p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i sp3 4s p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i sp4 -0.43436( 5s//r1// 3p)0.5860xr 7 31 i sp3 5s p i sp3 4p -6.12712( 5s//r1// 4p)0.8067xr 38 56 i sp3 5s p i sp3 5p 13.47201( 5s//r1// 5p)-0.979xr -83 -96 i sp3 5s p i sp3 6p 1.34553( 5s//r1// 6p)-0.167xr -24 -48 i sp3 5s p i sp3 7p 0.49799( 5s//r1// 7p)-0.091xr -13 -39 i sp3 5s p i sp3 8p 0.26348( 5s//r1// 8p)-0.064xr -9 -35 i sp3 5s p i sp3 9p 0.16471( 5s//r1// 9p)-0.051xr -6 -33 i sp3 5s p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i sp3 5s p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i sp4 -0.24479( 6s//r1// 3p)0.5290xr 4 29 i sp3 6s p i sp3 4p -1.32204( 6s//r1// 4p)0.3170xr 12 33 i sp3 6s p i sp3 5p -12.76861( 6s//r1// 5p)0.8178xr 45 61 i sp3 6s p i sp3 6p 22.55466( 6s//r1// 6p)-0.963xr -79 -93 i sp3 6s p i sp3 7p 2.43137( 6s//r1// 7p)-0.162xr -24 -44 i sp3 6s p i sp3 8p 0.93718( 6s//r1// 8p)-0.088xr -13 -35 i sp3 6s p i sp3 9p 0.51271( 6s//r1// 9p)-0.062xr -9 -30 i sp3 6s p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i sp3 6s p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i sp4 -0.16394( 7s//r1// 3p)0.5034xr 2 27 i sp3 7s p i sp3 4p -0.67841( 7s//r1// 4p)0.2413xr 7 27 i sp3 7s p i sp3 5p -2.46815( 7s//r1// 5p)0.2588xr 14 32 i sp3 7s p i sp3 6p -21.45520( 7s//r1// 6p)0.8227xr 48 64 i sp3 7s p i sp3 7p 33.93096( 7s//r1// 7p)-0.951xr -77 -91 i sp3 7s p i sp3 8p 3.77824( 7s//r1// 8p)-0.155xr -24 -41 i sp3 7s p i sp3 9p 1.48200( 7s//r1// 9p)-0.083xr -14 -32 i sp3 7s p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i sp3 7s p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i sp4 -0.12012( 8s//r1// 3p)0.4892xr 2 27 i sp3 8s p i sp3 4p -0.44140( 8s//r1// 4p)0.2114xr 5 25 i sp3 8s p i sp3 5p -1.22267( 8s//r1// 5p)0.1811xr 8 26 i sp3 8s p i sp3 6p -3.92121( 8s//r1// 6p)0.2290xr 16 32 i sp3 8s p i sp3 7p -32.22536( 8s//r1// 7p)0.8251xr 50 66 i sp3 8s p i sp3 8p 47.60714( 8s//r1// 8p)-0.941xr -75 -90 i sp3 8s p i sp3 9p 5.38529( 8s//r1// 9p)-0.149xr -23 -39 i sp3 8s p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i sp3 8s p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i sp4 -0.09306( 9s//r1// 3p)0.4803xr 1 26 i sp3 9s p i sp3 4p -0.32067( 9s//r1// 4p)0.1961xr 3 24 i sp3 9s p i sp3 5p -0.78323( 9s//r1// 5p)0.1507xr 6 23 i sp3 9s p i sp3 6p -1.89734( 9s//r1// 6p)0.1508xr 9 25 i sp3 9s p i sp3 7p -5.68593( 9s//r1// 7p)0.2102xr 16 31 i sp3 9s p i sp3 8p -45.09175( 9s//r1// 8p)0.8265xr 52 67 i sp3 9s p i sp3 9p 63.58641( 9s//r1// 9p)-0.935xr -74 -89 i sp3 9s p i sp3 4f 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i sp3 5f 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i sp3 6f 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i sp3 7f 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i sp3 8f 0.00000( //r1// )0.0000xr 0 0 i sp3 9s p i sp3 9f 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 3d p i sp4 -2.12501( 3d//r1// 3p)-0.999xr -42 -99 i sp3 3d p i sp3 4p 11.62306( 3d//r1// 4p)0.9845xr 90 93 i sp3 3d p i sp3 5p -5.27540( 3d//r1// 5p)-0.539xr -9 -16 i sp3 3d p i sp3 6p -1.34509( 3d//r1// 6p)-0.234xr -2 -6 i sp3 3d p i sp3 7p -0.70107( 3d//r1// 7p)-0.174xr -1 -4 i sp3 3d p i sp3 8p -0.45823( 3d//r1// 8p)-0.150xr 0 -3 i sp3 3d p i sp3 9p -0.33421( 3d//r1// 9p)-0.137xr 0 -3 i sp3 3d p i sp3 4f -13.21819( 3d//r1// 4f)1.0000xr 60 100 i sp3 3d p i sp3 5f -5.48800( 3d//r1// 5f)0.7252xr 33 88 i sp3 3d p i sp3 6f -3.27806( 3d//r1// 6f)0.6079xr 22 81 i sp3 3d p i sp3 7f -2.27833( 3d//r1// 7f)0.5497xr 16 77 i sp3 3d p i sp3 8f -1.71852( 3d//r1// 8f)0.5160xr 13 75 i sp3 3d p i sp3 9f -1.36405( 3d//r1// 9f)0.4945xr 10 73 i sp3 4d p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 4d p i sp4 -1.36517( 4d//r1// 3p)-0.974xr -31 -98 i sp3 4d p i sp3 4p -4.80056( 4d//r1// 4p)-0.593xr -13 -25 i sp3 4d p i sp3 5p 24.18284( 4d//r1// 5p)0.9958xr 94 96 i sp3 4d p i sp3 6p -8.03572( 4d//r1// 6p)-0.425xr -4 -6 i sp3 4d p i sp3 7p -2.44217( 4d//r1// 7p)-0.202xr 0 -1 i sp3 4d p i sp3 8p -1.31939( 4d//r1// 8p)-0.148xr 0 0 i sp3 4d p i sp3 9p -0.87468( 4d//r1// 9p)-0.125xr 0 0 i sp3 4d p i sp3 4f 28.46260( 4d//r1// 4f)-0.970xr -83 -91 i sp3 4d p i sp3 5f -10.11349( 4d//r1// 5f)0.4847xr 12 21 i sp3 4d p i sp3 6f -5.63993( 4d//r1// 6f)0.4118xr 11 31 i sp3 4d p i sp3 7f -3.75730( 4d//r1// 7f)0.3641xr 9 33 i sp3 4d p i sp3 8f -2.76472( 4d//r1// 8f)0.3363xr 7 34 i sp3 4d p i sp3 9f -2.16080( 4d//r1// 9f)0.3190xr 6 35 i sp3 5d p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 5d p i sp4 -0.85330( 5d//r1// 3p)-0.929xr -21 -97 i sp3 5d p i sp3 4p -2.79754( 5d//r1// 4p)-0.553xr -14 -43 i sp3 5d p i sp3 5p -8.70149( 5d//r1// 5p)-0.492xr -10 -16 i sp3 5d p i sp3 6p 41.15817( 5d//r1// 6p)0.9980xr 96 98 i sp3 5d p i sp3 7p -11.57945( 5d//r1// 7p)-0.364xr -1 -2 i sp3 5d p i sp3 8p -3.74981( 5d//r1// 8p)-0.175xr 0 0 i sp3 5d p i sp3 9p -2.05044( 5d//r1// 9p)-0.127xr 0 1 i sp3 5d p i sp3 4f -11.86359( 5d//r1// 4f)0.4845xr 11 17 i sp3 5d p i sp3 5f 51.07350( 5d//r1// 5f)-0.995xr -93 -97 i sp3 5d p i sp3 6f -6.83474( 5d//r1// 6f)0.1953xr -7 -13 i sp3 5d p i sp3 7f -4.76859( 5d//r1// 7f)0.1971xr 0 -1 i sp3 5d p i sp3 8f -3.44286( 5d//r1// 8f)0.1840xr 1 3 i sp3 5d p i sp3 9f -2.64439( 5d//r1// 9f)0.1741xr 1 5 i sp3 6d p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 6d p i sp4 -0.58076( 6d//r1// 3p)-0.894xr -14 -96 i sp3 6d p i sp3 4p -1.80705( 6d//r1// 4p)-0.495xr -11 -47 i sp3 6d p i sp3 5p -4.44515( 6d//r1// 5p)-0.388xr -10 -26 i sp3 6d p i sp3 6p -13.32318( 6d//r1// 6p)-0.433xr -7 -11 i sp3 6d p i sp3 7p 62.40978( 6d//r1// 7p)0.9989xr 97 99 i sp3 6d p i sp3 8p -16.27804( 6d//r1// 8p)-0.336xr 0 0 i sp3 6d p i sp3 9p -5.40138( 6d//r1// 9p)-0.160xr 0 1 i sp3 6d p i sp3 4f -2.79708( 6d//r1// 4f)0.1744xr 3 8 i sp3 6d p i sp3 5f -25.75382( 6d//r1// 5f)0.5702xr 19 26 i sp3 6d p i sp3 6f 76.36741( 6d//r1// 6f)-0.996xr -93 -98 i sp3 6d p i sp3 7f -3.82228( 6d//r1// 7f)0.0709xr -16 -24 i sp3 6d p i sp3 8f -3.76403( 6d//r1// 8f)0.0974xr -6 -13 i sp3 6d p i sp3 9f -2.97087( 6d//r1// 9f)0.0975xr -3 -9 i sp3 7d p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 7d p i sp4 -0.42545( 7d//r1// 3p)-0.868xr -11 -95 i sp3 7d p i sp3 4p -1.28595( 7d//r1// 4p)-0.458xr -9 -48 i sp3 7d p i sp3 5p -2.82688( 7d//r1// 5p)-0.331xr -8 -28 i sp3 7d p i sp3 6p -6.32921( 7d//r1// 6p)-0.306xr -7 -17 i sp3 7d p i sp3 7p -18.64124( 7d//r1// 7p)-0.395xr -5 -8 i sp3 7d p i sp3 8p 87.91980( 7d//r1// 8p)0.9994xr 98 99 i sp3 7d p i sp3 9p -22.14080( 7d//r1// 9p)-0.323xr 0 0 i sp3 7d p i sp3 4f -1.37699( 7d//r1// 4f)0.1163xr 1 6 i sp3 7d p i sp3 5f -5.66113( 7d//r1// 5f)0.1856xr 5 12 i sp3 7d p i sp3 6f -43.22017( 7d//r1// 6f)0.6225xr 25 33 i sp3 7d p i sp3 7f 105.23027( 7d//r1// 7f)-0.992xr -92 -98 i sp3 7d p i sp3 8f -0.79330( 7d//r1// 8f)0.0103xr -19 -29 i sp3 7d p i sp3 9f -2.69626( 7d//r1// 9f)0.0475xr -9 -18 i sp3 8d p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 8d p i sp4 -0.32858( 8d//r1// 3p)-0.850xr -8 -94 i sp3 8d p i sp3 4p -0.97723( 8d//r1// 4p)-0.435xr -7 -49 i sp3 8d p i sp3 5p -2.01816( 8d//r1// 5p)-0.299xr -7 -29 i sp3 8d p i sp3 6p -3.96214( 8d//r1// 6p)-0.250xr -6 -19 i sp3 8d p i sp3 7p -8.46788( 8d//r1// 7p)-0.257xr -5 -12 i sp3 8d p i sp3 8p -24.66833( 8d//r1// 8p)-0.367xr -4 -6 i sp3 8d p i sp3 9p 117.68005( 8d//r1// 9p)0.9996xr 98 99 i sp3 8d p i sp3 4f -0.86682( 8d//r1// 4f)0.0930xr 1 5 i sp3 8d p i sp3 5f -2.75145( 8d//r1// 5f)0.1196xr 3 8 i sp3 8d p i sp3 6f -9.09000( 8d//r1// 6f)0.1864xr 7 15 i sp3 8d p i sp3 7f -64.24847( 8d//r1// 7f)0.6557xr 29 39 i sp3 8d p i sp3 8f 137.94952( 8d//r1// 8f)-0.986xr -90 -98 i sp3 8d p i sp3 9f 2.43674( 8d//r1// 9f)-0.023xr -21 -31 i sp3 9d p i s2p2 4s 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 5s 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 6s 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 7s 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 8s 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 9s 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 3d 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 4d 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 5d 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 6d 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 7d 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 8d 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 9d 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 5g 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 6g 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 7g 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 8g 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 9g 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 7i 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 8i 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i s2p2 9i 0.00000( //r1// )0.0000xr 0 0 i sp3 9d p i sp4 -0.26363( 9d//r1// 3p)-0.836xr -7 -93 i sp3 9d p i sp3 4p -0.77697( 9d//r1// 4p)-0.419xr -6 -49 i sp3 9d p i sp3 5p -1.54405( 9d//r1// 5p)-0.279xr -5 -30 i sp3 9d p i sp3 6p -2.81902( 9d//r1// 6p)-0.220xr -5 -19 i sp3 9d p i sp3 7p -5.22863( 9d//r1// 7p)-0.204xr -5 -13 i sp3 9d p i sp3 8p -10.86726( 9d//r1// 8p)-0.226xr -4 -9 i sp3 9d p i sp3 9p -31.41136( 9d//r1// 9p)-0.346xr -3 -4 i sp3 9d p i sp3 4f -0.61628( 9d//r1// 4f)0.0809xr 0 4 i sp3 9d p i sp3 5f -1.72312( 9d//r1// 5f)0.0933xr 2 7 i sp3 9d p i sp3 6f -4.37475( 9d//r1// 6f)0.1164xr 4 10 i sp3 9d p i sp3 7f -13.08815( 9d//r1// 7f)0.1840xr 9 17 i sp3 9d p i sp3 8f -88.83466( 9d//r1// 8f)0.6794xr 32 43 i sp3 9d p i sp3 9f 174.63576( 9d//r1// 9f)-0.981xr -88 -97 -99999999.