1 72626724240 1 3 1000 7 s 2 p 5 p 0 f 0 h 0 s 0 d 0 s 2 p 4 p 1 f 0 h 0 s 0 d 0 s 2 p 4 p 1 f 0 h 0 s 0 d 0 s 2 p 4 p 1 f 0 h 0 s 0 d 0 s 2 p 4 p 1 f 0 h 0 s 0 d 0 s 2 p 4 p 1 f 0 h 0 s 0 d 0 s 2 p 4 p 1 f 0 h 0 s 0 d 0 s 2 p 4 p 1 f 0 h 0 s 0 d 0 s 2 p 4 p 0 f 1 h 0 s 0 d 0 s 2 p 4 p 0 f 1 h 0 s 0 d 0 s 2 p 4 p 0 f 1 h 0 s 0 d 0 s 2 p 4 p 0 f 1 h 0 s 0 d 0 s 2 p 4 p 0 f 1 h 0 s 0 d 0 s 2 p 4 p 0 f 0 h 1 s 0 d 0 s 2 p 4 p 0 f 0 h 1 s 0 d 0 s 1 p 5 p 0 f 0 h 0 s 1 d 0 s 1 p 5 p 0 f 0 h 0 s 1 d 0 s 1 p 5 p 0 f 0 h 0 s 1 d 0 s 1 p 5 p 0 f 0 h 0 s 1 d 0 s 1 p 5 p 0 f 0 h 0 s 1 d 0 s 1 p 5 p 0 f 0 h 0 s 1 d 0 s 1 p 5 p 0 f 0 h 0 s 0 d 1 s 1 p 5 p 0 f 0 h 0 s 0 d 1 s 1 p 5 p 0 f 0 h 0 s 0 d 1 s 1 p 5 p 0 f 0 h 0 s 0 d 1 s 1 p 5 p 0 f 0 h 0 s 0 d 1 s 2 p 4 s 1 d 0 g 0 p 0 f 0 s 2 p 4 s 1 d 0 g 0 p 0 f 0 s 2 p 4 s 1 d 0 g 0 p 0 f 0 s 2 p 4 s 1 d 0 g 0 p 0 f 0 s 2 p 4 s 1 d 0 g 0 p 0 f 0 s 2 p 4 s 1 d 0 g 0 p 0 f 0 s 2 p 4 s 1 d 0 g 0 p 0 f 0 s 2 p 4 s 0 d 1 g 0 p 0 f 0 s 2 p 4 s 0 d 1 g 0 p 0 f 0 s 2 p 4 s 0 d 1 g 0 p 0 f 0 s 2 p 4 s 0 d 1 g 0 p 0 f 0 s 2 p 4 s 0 d 1 g 0 p 0 f 0 s 2 p 4 s 0 d 1 g 0 p 0 f 0 s 2 p 4 s 0 d 0 g 1 p 0 f 0 s 2 p 4 s 0 d 0 g 1 p 0 f 0 s 1 p 6 s 0 d 0 g 0 p 0 f 0 s 1 p 5 s 0 d 0 g 0 p 1 f 0 s 1 p 5 s 0 d 0 g 0 p 1 f 0 s 1 p 5 s 0 d 0 g 0 p 1 f 0 s 1 p 5 s 0 d 0 g 0 p 1 f 0 s 1 p 5 s 0 d 0 g 0 p 1 f 0 s 1 p 5 s 0 d 0 g 0 p 0 f 1 s 1 p 5 s 0 d 0 g 0 p 0 f 1 s 1 p 5 s 0 d 0 g 0 p 0 f 1 s viii s2p5 2 0.00000 6.87432 0.00000 0.00000 0.00000xr99999999 s viii s2p4 3p 71705.68270 233.53581 7.31872 1.34002 48.67233xr99999999 21.76454 21.66524 s viii s2p4 4p 72164.86910 234.53881 7.37032 .50322 16.68003xr99999999 6.79334 7.25564 s viii s2p4 5p 72359.72470 234.82921 7.38562 .24162 7.65283xr99999999 3.03464 3.33294 s viii s2p4 6p 72460.95800 234.94291 7.39182 .13452 4.15263xr99999999 1.62914 1.81474 s viii s2p4 7p 72520.30190 234.99671 7.39472 .08262 2.50853xr99999999 .97894 1.09944 s viii s2p4 8p 72558.06690 235.02561 7.39632 .05432 1.63273xr99999999 .63534 .71714 s viii s2p4 9p 72583.58300 235.04251 7.39722 .03762 1.12283xr99999999 .43614 .49404 s viii s2p4 4f 72234.42100 234.98751 7.39692 .00952 8.38313xr99999999 1.10464 .71374 s viii s2p4 5f 72393.70910 235.01521 7.39762 .00502 4.31673xr99999999 .82664 .53644 s viii s2p4 6f 72480.10450 235.03811 7.39812 .00292 2.49843xr99999999 .55664 .36204 s viii s2p4 7f 72532.15110 235.05211 7.39852 .00192 1.57093xr99999999 .37884 .24684 s viii s2p4 8f 72565.90840 235.06081 7.39872 .00122 1.05043xr99999999 .26564 .17324 s viii s2p4 6h 72480.86500 235.07981 7.39922 .00082 .62273xr99999999 .00024 .00024 s viii s2p4 7h 72532.62390 235.07981 7.39922 .00052 .39223xr99999999 .00034 .00024 s viii sp5 3s 52066.61600 7.19082 268.76744 17.23404 20.86494xr99999999 s viii sp5 4s 52593.67640 7.23522 269.45244 5.14554 6.53114xr99999999 s viii sp5 5s 52810.43040 7.24812 269.64624 2.24994 2.90774xr99999999 s viii sp5 6s 52920.75210 7.25312 269.72024 1.19164 1.55384xr99999999 s viii sp5 7s 52984.52830 7.25552 269.75474 .70934 .92954xr99999999 s viii sp5 8s 53024.70850 7.25672 269.77294 .45704 .60084xr99999999 s viii sp5 3d 82323.22980 7.21712 .09062 52.44423 268.83874xr99999999 38.11134 42.60034 24.37784 s viii sp5 4d 82689.20620 7.24232 .03942 18.79413 269.46464xr99999999 14.87614 16.50524 9.67954 s viii sp5 5d 82856.40210 7.25092 .02012 8.85893 269.64884xr99999999 7.18244 7.96734 4.72114 s viii sp5 6d 82946.39200 7.25452 .01162 4.90323 269.71984xr99999999 4.01974 4.46114 2.65774 s viii sp5 7d 83000.28230 7.25622 .00732 3.00543 269.75354xr99999999 2.47934 2.75284 1.64524 s2p5 - s2p4 3p 2 9.76485 44.22065 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 4p 2 5.06025 22.27145 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 5p 2 3.26815 14.18035 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 6p 2 2.35095 10.12075 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 7p 2 1.80265 7.72295 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 8p 2 1.44195 6.15865 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 9p 2 1.18895 5.06735 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 4f 1 9.72995 0.00005 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 5f 1 8.69045 0.00005 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 6f 1 7.24755 0.00005 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 7f 1 6.03595 0.00005 0.00005 0.00005 0.00005xr99999999 s2p5 - s2p4 8f 1 5.08445 0.00005 0.00005 0.00005 0.00005xr99999999 s2p5 - sp5 3s 3 15.50325 49.19385 8.34445 0.00005 0.00005xr99999999 s2p5 - sp5 4s 3 7.87785 25.22755 4.29235 0.00005 0.00005xr99999999 s2p5 - sp5 5s 3 5.04855 16.22715 2.76325 0.00005 0.00005xr99999999 s2p5 - sp5 6s 3 3.61465 11.64095 1.98285 0.00005 0.00005xr99999999 s2p5 - sp5 7s 3 2.76215 8.90585 1.51725 0.00005 0.00005xr99999999 s2p5 - sp5 8s 3 2.20375 7.11075 1.21155 0.00005 0.00005xr99999999 s2p5 - sp5 3d 2 -98.77075 -74.40135 0.00005 0.00005 0.00005xr99999999 s2p5 - sp5 4d 2 -63.31745 -48.72455 0.00005 0.00005 0.00005xr99999999 s2p5 - sp5 5d 2 -44.38525 -34.42905 0.00005 0.00005 0.00005xr99999999 s2p5 - sp5 6d 2 -33.34215 -25.96305 0.00005 0.00005 0.00005xr99999999 s2p5 - sp5 7d 2 -26.24525 -20.48135 0.00005 0.00005 0.00005xr99999999 s2p4 3p - s2p4 4p 4 0.00005 23.12685 12.08465 12.38925 0.00005xr99999999 s2p4 3p - s2p4 5p 4 0.00005 14.70185 8.02995 8.30385 0.00005xr99999999 s2p4 3p - s2p4 6p 4 0.00005 10.51405 5.86205 6.08475 0.00005xr99999999 s2p4 3p - s2p4 7p 4 0.00005 8.03865 4.53365 4.71515 0.00005xr99999999 s2p4 3p - s2p4 8p 4 0.00005 6.41995 3.64655 3.79695 0.00005xr99999999 s2p4 3p - s2p4 9p 4 0.00005 5.28825 3.01795 3.14485 0.00005xr99999999 s2p4 3p - s2p4 4f 2 -12.22615 -.99225 0.00005 0.00005 0.00005xr99999999 s2p4 3p - s2p4 5f 2 -9.05065 -.78115 0.00005 0.00005 0.00005xr99999999 s2p4 3p - s2p4 6f 2 -6.85395 -.60505 0.00005 0.00005 0.00005xr99999999 s2p4 3p - s2p4 7f 2 -5.39295 -.48095 0.00005 0.00005 0.00005xr99999999 s2p4 3p - s2p4 8f 2 -4.38025 -.39275 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 3s 2 83.17085 18.64875 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 4s 2 29.54695 10.23985 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 5s 2 17.93585 6.76155 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 6s 2 12.57925 4.91415 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 7s 2 9.51435 3.78765 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 8s 2 7.54615 3.03835 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 3d 2 54.31325 -1.42815 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 4d 2 8.26995 -2.40635 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 5d 2 1.43735 -2.13985 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 6d 2 -.30565 -1.78495 0.00005 0.00005 0.00005xr99999999 s2p4 3p - sp5 7d 2 -.81905 -1.48725 0.00005 0.00005 0.00005xr99999999 s2p4 4p - s2p4 5p 4 0.00005 10.34695 4.53605 4.90855 0.00005xr99999999 s2p4 4p - s2p4 6p 4 0.00005 7.38085 3.31955 3.61365 0.00005xr99999999 s2p4 4p - s2p4 7p 4 0.00005 5.64025 2.57085 2.80785 0.00005xr99999999 s2p4 4p - s2p4 8p 4 0.00005 4.50405 2.06965 2.26495 0.00005xr99999999 s2p4 4p - s2p4 9p 4 0.00005 3.71025 1.71385 1.87805 0.00005xr99999999 s2p4 4p - s2p4 4f 2 -1.56375 -.75915 0.00005 0.00005 0.00005xr99999999 s2p4 4p - s2p4 5f 2 -3.26975 -.62795 0.00005 0.00005 0.00005xr99999999 s2p4 4p - s2p4 6f 2 -2.97865 -.50115 0.00005 0.00005 0.00005xr99999999 s2p4 4p - s2p4 7f 2 -2.53505 -.40625 0.00005 0.00005 0.00005xr99999999 s2p4 4p - s2p4 8f 2 -2.14905 -.33605 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 3s 2 29.99715 10.18205 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 4s 2 32.50945 5.66695 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 5s 2 15.16785 3.76115 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 6s 2 10.21145 2.74045 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 7s 2 7.59485 2.11525 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 8s 2 5.97045 1.69825 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 3d 2 17.70985 .88345 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 4d 2 22.16975 -.21715 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 5d 2 8.45585 -.39845 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 6d 2 4.67275 -.39705 0.00005 0.00005 0.00005xr99999999 s2p4 4p - sp5 7d 2 3.02455 -.35815 0.00005 0.00005 0.00005xr99999999 s2p4 5p - s2p4 6p 4 0.00005 5.38595 2.22295 2.45825 0.00005xr99999999 s2p4 5p - s2p4 7p 4 0.00005 4.10845 1.72255 1.91205 0.00005xr99999999 s2p4 5p - s2p4 8p 4 0.00005 3.27925 1.38725 1.54335 0.00005xr99999999 s2p4 5p - s2p4 9p 4 0.00005 2.70075 1.14905 1.28035 0.00005xr99999999 s2p4 5p - s2p4 4f 2 -1.14485 -.55375 0.00005 0.00005 0.00005xr99999999 s2p4 5p - s2p4 5f 2 -1.04605 -.46365 0.00005 0.00005 0.00005xr99999999 s2p4 5p - s2p4 6f 2 -1.36785 -.37275 0.00005 0.00005 0.00005xr99999999 s2p4 5p - s2p4 7f 2 -1.28705 -.30345 0.00005 0.00005 0.00005xr99999999 s2p4 5p - s2p4 8f 2 -1.14365 -.25185 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 3s 2 17.47445 6.71565 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 4s 2 16.25085 3.75795 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 5s 2 15.80135 2.49925 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 6s 2 8.61075 1.82285 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 7s 2 6.19525 1.40785 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 8s 2 4.80285 1.13075 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 3d 2 10.71085 1.01765 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 4d 2 9.59195 .14885 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 5d 2 11.02275 -.05625 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 6d 2 5.63695 -.10635 0.00005 0.00005 0.00005xr99999999 s2p4 5p - sp5 7d 2 3.69935 -.11365 0.00005 0.00005 0.00005xr99999999 s2p4 6p - s2p4 7p 4 0.00005 3.14245 1.26285 1.41225 0.00005xr99999999 s2p4 6p - s2p4 8p 4 0.00005 2.50525 1.01715 1.14035 0.00005xr99999999 s2p4 6p - s2p4 9p 4 0.00005 2.06255 .84265 .94625 0.00005xr99999999 s2p4 6p - s2p4 4f 2 -.81425 -.42165 0.00005 0.00005 0.00005xr99999999 s2p4 6p - s2p4 5f 2 -.80985 -.35495 0.00005 0.00005 0.00005xr99999999 s2p4 6p - s2p4 6f 2 -.67935 -.28625 0.00005 0.00005 0.00005xr99999999 s2p4 6p - s2p4 7f 2 -.73135 -.23345 0.00005 0.00005 0.00005xr99999999 s2p4 6p - s2p4 8f 2 -.68315 -.19405 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 3s 2 11.97445 4.88345 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 4s 2 10.80795 2.74005 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 5s 2 9.31425 1.82425 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 6s 2 8.82495 1.33125 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 7s 2 5.32295 1.02835 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 8s 2 4.01355 .82615 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 3d 2 7.52175 .90025 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 4d 2 6.42185 .21645 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 5d 2 5.58905 .03595 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 6d 2 6.24625 -.01945 0.00005 0.00005 0.00005xr99999999 s2p4 6p - sp5 7d 2 3.72155 -.03705 0.00005 0.00005 0.00005xr99999999 s2p4 7p - s2p4 8p 4 0.00005 1.98975 .78865 .88795 0.00005xr99999999 s2p4 7p - s2p4 9p 4 0.00005 1.63685 .65335 .73685 0.00005xr99999999 s2p4 7p - s2p4 4f 2 -.61805 -.33375 0.00005 0.00005 0.00005xr99999999 s2p4 7p - s2p4 5f 2 -.61745 -.28175 0.00005 0.00005 0.00005xr99999999 s2p4 7p - s2p4 6f 2 -.54635 -.22755 0.00005 0.00005 0.00005xr99999999 s2p4 7p - s2p4 7f 2 -.45485 -.18585 0.00005 0.00005 0.00005xr99999999 s2p4 7p - s2p4 8f 2 -.44835 -.15455 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 3s 2 8.93395 3.76795 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 4s 2 7.96805 2.11755 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 5s 2 6.69135 1.41065 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 6s 2 5.75245 1.02965 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 7s 2 5.41615 .79565 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 8s 2 3.51065 .63915 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 3d 2 5.70095 .76615 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 4d 2 4.77445 .21545 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 5d 2 3.98895 .06215 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 6d 2 3.52165 .01105 0.00005 0.00005 0.00005xr99999999 s2p4 7p - sp5 7d 2 3.87245 -.00805 0.00005 0.00005 0.00005xr99999999 s2p4 8p - s2p4 9p 4 0.00005 1.33855 .52635 .59525 0.00005xr99999999 s2p4 8p - s2p4 4f 2 -.49095 -.27225 0.00005 0.00005 0.00005xr99999999 s2p4 8p - s2p4 5f 2 -.49065 -.23025 0.00005 0.00005 0.00005xr99999999 s2p4 8p - s2p4 6f 2 -.43585 -.18615 0.00005 0.00005 0.00005xr99999999 s2p4 8p - s2p4 7f 2 -.37625 -.15205 0.00005 0.00005 0.00005xr99999999 s2p4 8p - s2p4 8f 2 -.31605 -.12655 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 3s 2 7.02605 3.02625 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 4s 2 6.22815 1.70235 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 5s 2 5.17215 1.13445 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 6s 2 4.35235 .82825 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 7s 2 3.77925 .64005 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 8s 2 3.55825 .51425 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 3d 2 4.53095 .65165 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 4d 2 3.75645 .19775 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 5d 2 3.08545 .06745 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 6d 2 2.63075 .02215 0.00005 0.00005 0.00005xr99999999 s2p4 8p - sp5 7d 2 2.35765 .00405 0.00005 0.00005 0.00005xr99999999 s2p4 9p - s2p4 4f 2 -.40285 -.22745 0.00005 0.00005 0.00005xr99999999 s2p4 9p - s2p4 5f 2 -.40245 -.19255 0.00005 0.00005 0.00005xr99999999 s2p4 9p - s2p4 6f 2 -.35775 -.15575 0.00005 0.00005 0.00005xr99999999 s2p4 9p - s2p4 7f 2 -.30985 -.12735 0.00005 0.00005 0.00005xr99999999 s2p4 9p - s2p4 8f 2 -.26715 -.10595 0.00005 0.00005 0.00005xr99999999 s2p4 9p - sp5 3s 2 5.72795 2.50205 0.00005 0.00005 0.00005xr99999999 s2p4 9p - sp5 4s 2 5.05925 1.40835 0.00005 0.00005 0.00005xr99999999 s2p4 9p - sp5 5s 2 4.17595 .93885 0.00005 0.00005 0.00005xr99999999 s2p4 9p - sp5 6s 2 3.48095 .68555 0.00005 0.00005 0.00005xr99999999 s2p4 9p - sp5 7s 2 2.96875 .52975 0.00005 0.00005 0.00005xr99999999 s2p4 9p - 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0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7s s viii sp5 4s 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7s s viii sp5 5s 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7s s viii sp5 6s 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7s s viii sp5 7s -.21903( 2p//r2// 2p) 1.000xr 100-100 s viii sp5 7s s viii sp5 8s 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7s s viii sp5 3d -.05377( 7s//r2// 3d) -.096xr 0 -1 s viii sp5 7s s viii sp5 4d -.29373( 7s//r2// 4d) -.091xr -1 -4 s viii sp5 7s s viii sp5 5d -1.67808( 7s//r2// 5d) -.135xr -4 -9 s viii sp5 7s s viii sp5 6d -29.02125( 7s//r2// 6d) -.727xr -19 -26 s viii sp5 7s s viii sp5 7d 74.69226( 7s//r2// 7d) .998xr 95 -99 s viii sp5 8s s viii s2p5 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 3p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 4p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 5p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 6p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 7p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 8p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 9p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 4f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 5f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 6f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 7f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 8f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 6h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 7h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii sp5 3s 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii sp5 4s 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii sp5 5s 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii sp5 6s 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii sp5 7s 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 8s s viii sp5 8s -.21899( 2p//r2// 2p) 1.000xr 100-100 s viii sp5 8s s viii sp5 3d -.03785( 8s//r2// 3d) -.085xr 0 -1 s viii sp5 8s s viii sp5 4d -.17470( 8s//r2// 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s viii s2p4 6h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 3d s viii s2p4 7h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 3d s viii sp5 3s 1.65163( 3d//r2// 3s) .991xr 85 -90 s viii sp5 3d s viii sp5 4s -1.32002( 3d//r2// 4s) -.728xr -7 -13 s viii sp5 3d s viii sp5 5s -.19447( 3d//r2// 5s) -.182xr -1 -4 s viii sp5 3d s viii sp5 6s -.08770( 3d//r2// 6s) -.118xr 0 -2 s viii sp5 3d s viii sp5 7s -.05377( 3d//r2// 7s) -.096xr 0 -1 s viii sp5 3d s viii sp5 8s -.03785( 3d//r2// 8s) -.085xr 0 -1 s viii sp5 3d s viii sp5 3d -1.98031( 3d//r2// 3d) 1.000xr 100-100 s viii sp5 3d s viii sp5 4d 1.55839( 3d//r2// 4d) -.756xr 0 -1 s viii sp5 3d s viii sp5 5d .40724( 3d//r2// 5d) -.335xr 0 -1 s viii sp5 3d s viii sp5 6d .20192( 3d//r2// 6d) -.234xr 0 -1 s viii sp5 3d s viii sp5 7d .12726( 3d//r2// 7d) -.192xr 0 -1 s viii sp5 4d s viii s2p5 -.11255( 4d//r2// 2s) -.812xr -29 -97 s viii sp5 4d s viii s2p4 3p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 4p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 5p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 6p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 7p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 8p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 9p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 4f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 5f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 6f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 7f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 8f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 6h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii s2p4 7h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 4d s viii sp5 3s -1.10010( 4d//r2// 3s) -.747xr -10 -21 s viii sp5 4d s viii sp5 4s 6.60534( 4d//r2// 4s) .999xr 94 -96 s viii sp5 4d s viii sp5 5s -5.03267( 4d//r2// 5s) -.720xr -12 -18 s viii sp5 4d s viii sp5 6s -.68625( 4d//r2// 6s) -.154xr -3 -7 s viii sp5 4d s viii sp5 7s -.29373( 4d//r2// 7s) -.091xr -1 -4 s viii sp5 4d s viii sp5 8s -.17470( 4d//r2// 8s) -.070xr 0 -3 s viii sp5 4d s viii sp5 3d 1.55839( 4d//r2// 3d) -.756xr 0 -1 s viii sp5 4d s viii sp5 4d -8.36986( 4d//r2// 4d) 1.000xr 100-100 s viii sp5 4d s viii sp5 5d 5.11151( 4d//r2// 5d) -.658xr 0 0 s viii sp5 4d s viii sp5 6d 1.33686( 4d//r2// 6d) -.269xr 0 0 s viii sp5 4d s viii sp5 7d .65533( 4d//r2// 7d) -.179xr 0 0 s viii sp5 5d s viii s2p5 -.06392( 5d//r2// 2s) -.699xr -19 -95 s viii sp5 5d s viii s2p4 3p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 4p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 5p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 6p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 7p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 8p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 9p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 4f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 5f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 6f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 7f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 8f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 6h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 7h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 5d s viii sp5 3s -.47416( 5d//r2// 3s) -.544xr -10 -32 s viii sp5 5d s viii sp5 4s -2.78444( 5d//r2// 4s) -.539xr 4 -7 s viii sp5 5d s viii sp5 5s 17.81364( 5d//r2// 5s) 1.000xr 96 -98 s viii sp5 5d s viii sp5 6s -13.36489( 5d//r2// 6s) -.723xr -16 -22 s viii sp5 5d s viii sp5 7s -1.67808( 5d//r2// 7s) -.135xr -4 -9 s viii sp5 5d s viii sp5 8s -.68498( 5d//r2// 8s) -.074xr -2 -6 s viii sp5 5d s viii sp5 3d .40724( 5d//r2// 3d) -.335xr 0 -1 s viii sp5 5d s viii sp5 4d 5.11151( 5d//r2// 4d) -.658xr 0 0 s viii sp5 5d s viii sp5 5d -23.03057( 5d//r2// 5d) 1.000xr 100-100 s viii sp5 5d s viii sp5 6d 12.40564( 5d//r2// 6d) -.604xr 0 0 s viii sp5 5d s viii sp5 7d 3.17200( 5d//r2// 7d) -.230xr 0 0 s viii sp5 6d s viii s2p5 -.04303( 6d//r2// 2s) -.642xr -14 -93 s viii sp5 6d s viii s2p4 3p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 4p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 5p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 6p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 7p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 8p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 9p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 4f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 5f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 6f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 7f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 8f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 6h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 7h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 6d s viii sp5 3s -.27911( 6d//r2// 3s) -.446xr -8 -35 s viii sp5 6d s viii sp5 4s -1.20700( 6d//r2// 4s) -.363xr -1 -4 s viii sp5 6d s viii sp5 5s -5.80567( 6d//r2// 5s) -.424xr 10 -17 s viii sp5 6d s viii sp5 6s 38.98934( 6d//r2// 6s) .999xr 96 -99 s viii sp5 6d s viii sp5 7s -29.02125( 6d//r2// 7s) -.727xr -19 -26 s viii sp5 6d s viii sp5 8s -3.40159( 6d//r2// 8s) -.122xr -5 -11 s viii sp5 6d s viii sp5 3d .20192( 6d//r2// 3d) -.234xr 0 -1 s viii sp5 6d s viii sp5 4d 1.33686( 6d//r2// 4d) -.269xr 0 0 s viii sp5 6d s viii sp5 5d 12.40564( 6d//r2// 5d) -.604xr 0 0 s viii sp5 6d s viii sp5 6d -50.88394( 6d//r2// 6d) 1.000xr 100-100 s viii sp5 6d s viii sp5 7d 25.37461( 6d//r2// 7d) -.571xr 0 0 s viii sp5 7d s viii s2p5 -.03175( 7d//r2// 2s) -.610xr -11 -92 s viii sp5 7d s viii s2p4 3p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 4p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 5p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 6p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 7p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 8p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 9p 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 4f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 5f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 6f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 7f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 8f 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 6h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 7h 0.00000( //r2// ) 0.000xr 0 0 s viii sp5 7d s viii sp5 3s -.19107( 7d//r2// 3s) -.397xr -6 -37 s viii sp5 7d s viii sp5 4s -.71023( 7d//r2// 4s) -.286xr -2 -8 s viii sp5 7d s viii sp5 5s -2.48893( 7d//r2// 5s) -.269xr 3 -7 s viii sp5 7d s viii sp5 6s -10.71857( 7d//r2// 6s) -.357xr 14 -22 s viii sp5 7d s viii sp5 7s 74.69226( 7d//r2// 7s) .998xr 95 -99 s viii sp5 7d s viii sp5 8s -55.31606( 7d//r2// 8s) -.732xr -21 -28 s viii sp5 7d s viii sp5 3d .12726( 7d//r2// 3d) -.192xr 0 -1 s viii sp5 7d s viii sp5 4d .65533( 7d//r2// 4d) -.179xr 0 0 s viii sp5 7d s viii sp5 5d 3.17200( 7d//r2// 5d) -.230xr 0 0 s viii sp5 7d s viii sp5 6d 25.37461( 7d//r2// 6d) -.571xr 0 0 s viii sp5 7d s viii sp5 7d -97.97274( 7d//r2// 7d) 1.000xr 100-100 s viii s2p4 3s 41588.24750 233.66971 7.33032 20.83584 0.00000xr99999999 s viii s2p4 4s 42120.21870 234.60171 7.37522 6.51804 0.00000xr99999999 s viii s2p4 5s 42338.18300 234.86251 7.38812 2.90084 0.00000xr99999999 s viii s2p4 6s 42448.95820 234.96261 7.39322 1.54984 0.00000xr99999999 s viii s2p4 7s 42512.94390 235.00941 7.39562 .92704 0.00000xr99999999 s viii s2p4 8s 42553.23440 235.03421 7.39692 .59914 0.00000xr99999999 s viii s2p4 9s 42580.24060 235.04851 7.39762 .40984 0.00000xr99999999 s viii s2p4 3d 71851.92890 233.87381 7.35742 .09212 52.47613xr99999999 42.55944 24.35054 s viii s2p4 4d 72217.79890 234.64011 7.38252 .04022 18.79313xr99999999 16.50014 9.67264 s viii s2p4 5d 72385.03450 234.87301 7.39112 .02052 8.85563xr99999999 7.96564 4.71774 s viii s2p4 6d 72475.05830 234.96531 7.39462 .01182 4.90063xr99999999 4.46034 2.65584 s viii s2p4 7d 72528.96930 235.00961 7.39642 .00752 3.00343xr99999999 2.75224 1.64394 s viii s2p4 8d 72563.77700 235.03351 7.39732 .00502 1.97643xr99999999 1.81894 1.08864 s viii s2p4 5g 72394.72920 235.07661 7.39922 .00242 1.97573xr99999999 .01934 .01354 s viii s2p4 6g 72480.65920 235.07661 7.39922 .00142 1.14623xr99999999 .01984 .01384 s viii sp6 1 520.17930 0.00000 0.00000 0.00000 0.00000xr99999999 s viii sp5 3p 82177.74270 7.17922 1.33112 48.63263 268.72334xr99999999 15.80794 21.85194 21.70994 s viii sp5 4p 82636.54900 7.23032 .50132 16.70583 269.42544xr99999999 5.11784 6.82924 7.28174 s viii sp5 5p 82831.21930 7.24552 .24112 7.67223 269.63084xr99999999 2.32584 3.05234 3.34724 s viii sp5 6p 82932.36110 7.25162 .13432 4.16533 269.71084xr99999999 1.26034 1.63914 1.82314 s viii sp5 7p 82991.65660 7.25452 .08252 2.51703 269.74854xr99999999 .76164 .98514 1.10484 s viii sp5 4f 82705.63570 7.25672 .00952 8.46983 269.71474xr99999999 1.11294 1.13164 .73134 s viii sp5 5f 82864.95450 7.25742 .00502 4.35793 269.74204xr99999999 .84004 .84504 .54854 s viii sp5 6f 82951.36120 7.25802 .00292 2.52123 269.76464xr99999999 .56794 .56834 .36984 s2p4 3s - s2p4 4s 2 0.00005 11.54835 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 5s 2 0.00005 7.64265 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 6s 2 0.00005 5.55935 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 7s 2 0.00005 4.28675 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 8s 2 0.00005 3.43945 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 9s 2 0.00005 2.84075 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 3d 2 16.51365 -10.37315 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 4d 2 .71185 -8.11045 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 5d 2 -1.67375 -6.11125 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 6d 2 -2.01105 -4.75475 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 7d 2 -1.91115 -3.81785 0.00005 0.00005 0.00005xr99999999 s2p4 3s - s2p4 8d 2 -1.72015 -3.14645 0.00005 0.00005 0.00005xr99999999 s2p4 3s - sp6 1 48.20925 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 3s - sp5 3p 2 83.31035 17.42695 0.00005 0.00005 0.00005xr99999999 s2p4 3s - sp5 4p 2 30.47595 9.23135 0.00005 0.00005 0.00005xr99999999 s2p4 3s - sp5 5p 2 17.83005 5.97635 0.00005 0.00005 0.00005xr99999999 s2p4 3s - sp5 6p 2 12.24425 4.29845 0.00005 0.00005 0.00005xr99999999 s2p4 3s - sp5 7p 2 9.14675 3.29415 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 5s 2 0.00005 4.34275 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 6s 2 0.00005 3.16935 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 7s 2 0.00005 2.44835 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 8s 2 0.00005 1.96675 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 9s 2 0.00005 1.62565 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 3d 2 6.10285 -4.67115 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 4d 2 4.88455 -3.76845 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 5d 2 1.83815 -2.87505 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 6d 2 .82825 -2.25065 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 7d 2 .40925 -1.81355 0.00005 0.00005 0.00005xr99999999 s2p4 4s - s2p4 8d 2 .21085 -1.49795 0.00005 0.00005 0.00005xr99999999 s2p4 4s - sp6 1 24.65535 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 4s - sp5 3p 2 29.29125 9.87585 0.00005 0.00005 0.00005xr99999999 s2p4 4s - sp5 4p 2 32.55435 5.38605 0.00005 0.00005 0.00005xr99999999 s2p4 4s - sp5 5p 2 16.41405 3.53075 0.00005 0.00005 0.00005xr99999999 s2p4 4s - sp5 6p 2 10.94575 2.55635 0.00005 0.00005 0.00005xr99999999 s2p4 4s - sp5 7p 2 8.08115 1.96665 0.00005 0.00005 0.00005xr99999999 s2p4 5s - s2p4 6s 2 0.00005 2.11965 0.00005 0.00005 0.00005xr99999999 s2p4 5s - s2p4 7s 2 0.00005 1.63865 0.00005 0.00005 0.00005xr99999999 s2p4 5s - s2p4 8s 2 0.00005 1.31685 0.00005 0.00005 0.00005xr99999999 s2p4 5s - s2p4 9s 2 0.00005 1.08875 0.00005 0.00005 0.00005xr99999999 s2p4 5s - s2p4 3d 2 3.77095 -2.84385 0.00005 0.00005 0.00005xr99999999 s2p4 5s - s2p4 4d 2 2.52605 -2.32525 0.00005 0.00005 0.00005xr99999999 s2p4 5s - s2p4 5d 2 2.02005 -1.78315 0.00005 0.00005 0.00005xr99999999 s2p4 5s - s2p4 6d 2 1.13335 -1.39945 0.00005 0.00005 0.00005xr99999999 s2p4 5s - s2p4 7d 2 .72225 -1.12935 0.00005 0.00005 0.00005xr99999999 s2p4 5s - s2p4 8d 2 .50135 -.93365 0.00005 0.00005 0.00005xr99999999 s2p4 5s - sp6 1 15.84085 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 5s - sp5 3p 2 17.75255 6.58555 0.00005 0.00005 0.00005xr99999999 s2p4 5s - sp5 4p 2 15.08415 3.62875 0.00005 0.00005 0.00005xr99999999 s2p4 5s - sp5 5p 2 15.81895 2.38935 0.00005 0.00005 0.00005xr99999999 s2p4 5s - sp5 6p 2 9.38255 1.73395 0.00005 0.00005 0.00005xr99999999 s2p4 5s - sp5 7p 2 6.75395 1.33585 0.00005 0.00005 0.00005xr99999999 s2p4 6s - s2p4 7s 2 0.00005 1.19855 0.00005 0.00005 0.00005xr99999999 s2p4 6s - s2p4 8s 2 0.00005 .96335 0.00005 0.00005 0.00005xr99999999 s2p4 6s - s2p4 9s 2 0.00005 .79665 0.00005 0.00005 0.00005xr99999999 s2p4 6s - s2p4 3d 2 2.67205 -1.98275 0.00005 0.00005 0.00005xr99999999 s2p4 6s - s2p4 4d 2 1.75465 -1.63255 0.00005 0.00005 0.00005xr99999999 s2p4 6s - s2p4 5d 2 1.24495 -1.25535 0.00005 0.00005 0.00005xr99999999 s2p4 6s - s2p4 6d 2 1.02255 -.98655 0.00005 0.00005 0.00005xr99999999 s2p4 6s - s2p4 7d 2 .68555 -.79665 0.00005 0.00005 0.00005xr99999999 s2p4 6s - s2p4 8d 2 .49625 -.65895 0.00005 0.00005 0.00005xr99999999 s2p4 6s - sp6 1 11.35705 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 6s - sp5 3p 2 12.44155 4.80765 0.00005 0.00005 0.00005xr99999999 s2p4 6s - sp5 4p 2 10.14425 2.66225 0.00005 0.00005 0.00005xr99999999 s2p4 6s - sp5 5p 2 8.57635 1.75665 0.00005 0.00005 0.00005xr99999999 s2p4 6s - sp5 6p 2 8.83305 1.27615 0.00005 0.00005 0.00005xr99999999 s2p4 6s - sp5 7p 2 5.78565 .98385 0.00005 0.00005 0.00005xr99999999 s2p4 7s - s2p4 8s 2 0.00005 .74525 0.00005 0.00005 0.00005xr99999999 s2p4 7s - s2p4 9s 2 0.00005 .61635 0.00005 0.00005 0.00005xr99999999 s2p4 7s - s2p4 3d 2 2.03385 -1.49175 0.00005 0.00005 0.00005xr99999999 s2p4 7s - s2p4 4d 2 1.32705 -1.23345 0.00005 0.00005 0.00005xr99999999 s2p4 7s - s2p4 5d 2 .92685 -.94985 0.00005 0.00005 0.00005xr99999999 s2p4 7s - s2p4 6d 2 .70175 -.74705 0.00005 0.00005 0.00005xr99999999 s2p4 7s - s2p4 7d 2 .58925 -.60355 0.00005 0.00005 0.00005xr99999999 s2p4 7s - s2p4 8d 2 .43565 -.49935 0.00005 0.00005 0.00005xr99999999 s2p4 7s - sp6 1 8.68535 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 7s - sp5 3p 2 9.40615 3.71445 0.00005 0.00005 0.00005xr99999999 s2p4 7s - sp5 4p 2 7.54065 2.06255 0.00005 0.00005 0.00005xr99999999 s2p4 7s - sp5 5p 2 6.16565 1.36265 0.00005 0.00005 0.00005xr99999999 s2p4 7s - sp5 6p 2 5.30625 .99055 0.00005 0.00005 0.00005xr99999999 s2p4 7s - sp5 7p 2 5.42025 .76385 0.00005 0.00005 0.00005xr99999999 s2p4 8s - s2p4 9s 2 0.00005 .49555 0.00005 0.00005 0.00005xr99999999 s2p4 8s - s2p4 3d 2 1.61975 -1.17845 0.00005 0.00005 0.00005xr99999999 s2p4 8s - s2p4 4d 2 1.05395 -.97695 0.00005 0.00005 0.00005xr99999999 s2p4 8s - s2p4 5d 2 .73185 -.75315 0.00005 0.00005 0.00005xr99999999 s2p4 8s - s2p4 6d 2 .54755 -.59265 0.00005 0.00005 0.00005xr99999999 s2p4 8s - s2p4 7d 2 .43425 -.47895 0.00005 0.00005 0.00005xr99999999 s2p4 8s - s2p4 8d 2 .37115 -.39635 0.00005 0.00005 0.00005xr99999999 s2p4 8s - sp6 1 6.93305 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 8s - sp5 3p 2 7.45835 2.98405 0.00005 0.00005 0.00005xr99999999 s2p4 8s - sp5 4p 2 5.92585 1.65985 0.00005 0.00005 0.00005xr99999999 s2p4 8s - sp5 5p 2 4.77775 1.09735 0.00005 0.00005 0.00005xr99999999 s2p4 8s - sp5 6p 2 3.99855 .79795 0.00005 0.00005 0.00005xr99999999 s2p4 8s - sp5 7p 2 3.50165 .61555 0.00005 0.00005 0.00005xr99999999 s2p4 9s - s2p4 3d 2 1.33155 -.96325 0.00005 0.00005 0.00005xr99999999 s2p4 9s - s2p4 4d 2 .86525 -.79995 0.00005 0.00005 0.00005xr99999999 s2p4 9s - s2p4 5d 2 .59915 -.61715 0.00005 0.00005 0.00005xr99999999 s2p4 9s - s2p4 6d 2 .44615 -.48575 0.00005 0.00005 0.00005xr99999999 s2p4 9s - s2p4 7d 2 .35075 -.39265 0.00005 0.00005 0.00005xr99999999 s2p4 9s - s2p4 8d 2 .28755 -.32495 0.00005 0.00005 0.00005xr99999999 s2p4 9s - sp6 1 5.70665 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 9s - sp5 3p 2 6.11285 2.46665 0.00005 0.00005 0.00005xr99999999 s2p4 9s - sp5 4p 2 4.83065 1.37355 0.00005 0.00005 0.00005xr99999999 s2p4 9s - sp5 5p 2 3.86535 .90855 0.00005 0.00005 0.00005xr99999999 s2p4 9s - sp5 6p 2 3.19655 .66085 0.00005 0.00005 0.00005xr99999999 s2p4 9s - sp5 7p 2 2.73305 .50985 0.00005 0.00005 0.00005xr99999999 s2p4 3d - s2p4 4d 4 0.00005 25.75675 26.30595 15.19995 0.00005xr99999999 s2p4 3d - s2p4 5d 4 0.00005 16.48455 18.15215 10.51525 0.00005xr99999999 s2p4 3d - s2p4 6d 4 0.00005 11.84835 13.52445 7.84155 0.00005xr99999999 s2p4 3d - s2p4 7d 4 0.00005 9.09515 10.59435 6.14515 0.00005xr99999999 s2p4 3d - s2p4 8d 4 0.00005 7.28745 8.59675 4.98745 0.00005xr99999999 s2p4 3d - s2p4 5g 2 3.33545 .50505 0.00005 0.00005 0.00005xr99999999 s2p4 3d - s2p4 6g 2 3.16505 .52005 0.00005 0.00005 0.00005xr99999999 s2p4 3d - sp6 1-100.56405 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 3d - sp5 3p 2 53.51255 -1.45265 0.00005 0.00005 0.00005xr99999999 s2p4 3d - sp5 4p 2 17.57435 1.41785 0.00005 0.00005 0.00005xr99999999 s2p4 3d - sp5 5p 2 10.64105 1.51555 0.00005 0.00005 0.00005xr99999999 s2p4 3d - sp5 6p 2 7.47745 1.31645 0.00005 0.00005 0.00005xr99999999 s2p4 3d - sp5 7p 2 5.66965 1.11165 0.00005 0.00005 0.00005xr99999999 s2p4 3d - sp5 4f 2 -35.62075 -4.76465 0.00005 0.00005 0.00005xr99999999 s2p4 3d - sp5 5f 2 -25.65585 -4.20325 0.00005 0.00005 0.00005xr99999999 s2p4 3d - sp5 6f 2 -19.35155 -3.48135 0.00005 0.00005 0.00005xr99999999 s2p4 4d - s2p4 5d 4 0.00005 11.97385 11.45135 6.74425 0.00005xr99999999 s2p4 4d - s2p4 6d 4 0.00005 8.63315 8.55645 5.04965 0.00005xr99999999 s2p4 4d - s2p4 7d 4 0.00005 6.64125 6.71385 3.96645 0.00005xr99999999 s2p4 4d - s2p4 8d 4 0.00005 5.32875 5.45365 3.22395 0.00005xr99999999 s2p4 4d - s2p4 5g 2 -1.29055 .27505 0.00005 0.00005 0.00005xr99999999 s2p4 4d - s2p4 6g 2 -.55925 .28465 0.00005 0.00005 0.00005xr99999999 s2p4 4d - sp6 1 -64.28845 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 4d - sp5 3p 2 7.49555 -2.47325 0.00005 0.00005 0.00005xr99999999 s2p4 4d - sp5 4p 2 21.86295 .08305 0.00005 0.00005 0.00005xr99999999 s2p4 4d - sp5 5p 2 9.49755 .43605 0.00005 0.00005 0.00005xr99999999 s2p4 4d - sp5 6p 2 6.36195 .45855 0.00005 0.00005 0.00005xr99999999 s2p4 4d - sp5 7p 2 4.73165 .41725 0.00005 0.00005 0.00005xr99999999 s2p4 4d - sp5 4f 2 3.33935 -2.78345 0.00005 0.00005 0.00005xr99999999 s2p4 4d - sp5 5f 2 -8.22725 -2.47425 0.00005 0.00005 0.00005xr99999999 s2p4 4d - sp5 6f 2 -7.89435 -2.05745 0.00005 0.00005 0.00005xr99999999 s2p4 5d - s2p4 6d 4 0.00005 6.34965 5.95895 3.53825 0.00005xr99999999 s2p4 5d - s2p4 7d 4 0.00005 4.88755 4.67885 2.78195 0.00005xr99999999 s2p4 5d - s2p4 8d 4 0.00005 3.92435 3.80215 2.26255 0.00005xr99999999 s2p4 5d - s2p4 5g 2 -.13175 .17915 0.00005 0.00005 0.00005xr99999999 s2p4 5d - s2p4 6g 2 -.50395 .18575 0.00005 0.00005 0.00005xr99999999 s2p4 5d - sp6 1 -45.01285 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 5d - sp5 3p 2 .89845 -2.18535 0.00005 0.00005 0.00005xr99999999 s2p4 5d - sp5 4p 2 8.13765 -.19175 0.00005 0.00005 0.00005xr99999999 s2p4 5d - sp5 5p 2 10.87815 .14155 0.00005 0.00005 0.00005xr99999999 s2p4 5d - sp5 6p 2 5.52945 .20265 0.00005 0.00005 0.00005xr99999999 s2p4 5d - sp5 7p 2 3.94705 .20105 0.00005 0.00005 0.00005xr99999999 s2p4 5d - sp5 4f 2 .29825 -1.86915 0.00005 0.00005 0.00005xr99999999 s2p4 5d - sp5 5f 2 1.99785 -1.66675 0.00005 0.00005 0.00005xr99999999 s2p4 5d - sp5 6f 2 -2.46725 -1.38825 0.00005 0.00005 0.00005xr99999999 s2p4 6d - s2p4 7d 4 0.00005 3.75675 3.50335 2.08915 0.00005xr99999999 s2p4 6d - s2p4 8d 4 0.00005 3.01635 2.84755 1.69965 0.00005xr99999999 s2p4 6d - s2p4 5g 2 -.09215 .12935 0.00005 0.00005 0.00005xr99999999 s2p4 6d - s2p4 6g 2 -.10285 .13425 0.00005 0.00005 0.00005xr99999999 s2p4 6d - sp6 1 -33.79275 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 6d - sp5 3p 2 -.70445 -1.81565 0.00005 0.00005 0.00005xr99999999 s2p4 6d - sp5 4p 2 4.42425 -.24155 0.00005 0.00005 0.00005xr99999999 s2p4 6d - sp5 5p 2 5.48275 .04205 0.00005 0.00005 0.00005xr99999999 s2p4 6d - sp5 6p 2 6.16745 .10555 0.00005 0.00005 0.00005xr99999999 s2p4 6d - sp5 7p 2 3.48295 .11505 0.00005 0.00005 0.00005xr99999999 s2p4 6d - sp5 4f 2 .06715 -1.37195 0.00005 0.00005 0.00005xr99999999 s2p4 6d - sp5 5f 2 .26775 -1.22535 0.00005 0.00005 0.00005xr99999999 s2p4 6d - sp5 6f 2 1.21365 -1.02155 0.00005 0.00005 0.00005xr99999999 s2p4 7d - s2p4 8d 4 0.00005 2.40455 2.23735 1.33765 0.00005xr99999999 s2p4 7d - s2p4 5g 2 -.06605 .09945 0.00005 0.00005 0.00005xr99999999 s2p4 7d - s2p4 6g 2 -.07715 .10335 0.00005 0.00005 0.00005xr99999999 s2p4 7d - sp6 1 -26.59005 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 7d - sp5 3p 2 -1.12935 -1.50905 0.00005 0.00005 0.00005xr99999999 s2p4 7d - sp5 4p 2 2.82695 -.23515 0.00005 0.00005 0.00005xr99999999 s2p4 7d - sp5 5p 2 3.57095 .00335 0.00005 0.00005 0.00005xr99999999 s2p4 7d - sp5 6p 2 3.63655 .06135 0.00005 0.00005 0.00005xr99999999 s2p4 7d - sp5 7p 2 3.82505 .07385 0.00005 0.00005 0.00005xr99999999 s2p4 7d - sp5 4f 2 .01445 -1.06505 0.00005 0.00005 0.00005xr99999999 s2p4 7d - sp5 5f 2 .07605 -.95215 0.00005 0.00005 0.00005xr99999999 s2p4 7d - sp5 6f 2 .22355 -.79415 0.00005 0.00005 0.00005xr99999999 s2p4 8d - s2p4 5g 2 -.05075 .07975 0.00005 0.00005 0.00005xr99999999 s2p4 8d - s2p4 6g 2 -.05845 .08285 0.00005 0.00005 0.00005xr99999999 s2p4 8d - sp6 1 -21.63775 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 8d - sp5 3p 2 -1.20045 -1.26965 0.00005 0.00005 0.00005xr99999999 s2p4 8d - sp5 4p 2 1.99015 -.21475 0.00005 0.00005 0.00005xr99999999 s2p4 8d - sp5 5p 2 2.58175 -.01285 0.00005 0.00005 0.00005xr99999999 s2p4 8d - sp5 6p 2 2.58865 .03875 0.00005 0.00005 0.00005xr99999999 s2p4 8d - sp5 7p 2 2.48605 .05145 0.00005 0.00005 0.00005xr99999999 s2p4 8d - sp5 4f 2 -.00225 -.85915 0.00005 0.00005 0.00005xr99999999 s2p4 8d - sp5 5f 2 .02155 -.76855 0.00005 0.00005 0.00005xr99999999 s2p4 8d - sp5 6f 2 .08265 -.64125 0.00005 0.00005 0.00005xr99999999 s2p4 5g - s2p4 6g 4 0.00005 1.14605 .01955 .01365 0.00005xr99999999 s2p4 5g - sp5 4f 2 -13.16245 -.13985 0.00005 0.00005 0.00005xr99999999 s2p4 5g - sp5 5f 2 .12375 -.11905 0.00005 0.00005 0.00005xr99999999 s2p4 5g - sp5 6f 2 -.37955 -.09665 0.00005 0.00005 0.00005xr99999999 s2p4 6g - sp5 4f 2 -9.35335 -.14275 0.00005 0.00005 0.00005xr99999999 s2p4 6g - sp5 5f 2 -4.86465 -.12175 0.00005 0.00005 0.00005xr99999999 s2p4 6g - sp5 6f 2 .10825 -.09895 0.00005 0.00005 0.00005xr99999999 sp6 - sp5 3p 4 4.60995 26.74125 9.76255 44.17255 0.00005xr99999999 sp6 - sp5 4p 4 1.74015 9.87125 5.06135 22.25005 0.00005xr99999999 sp6 - sp5 5p 4 .93325 5.21565 3.26925 14.16585 0.00005xr99999999 sp6 - sp5 6p 4 .59785 3.30625 2.35195 10.10975 0.00005xr99999999 sp6 - sp5 7p 4 .42465 2.33145 1.80345 7.71435 0.00005xr99999999 sp6 - sp5 4f 1 9.82295 0.00005 0.00005 0.00005 0.00005xr99999999 sp6 - sp5 5f 1 8.76685 0.00005 0.00005 0.00005 0.00005xr99999999 sp6 - sp5 6f 1 7.30845 0.00005 0.00005 0.00005 0.00005xr99999999 sp5 3p - sp5 4p 6 0.00005 8.80795 0.00005 23.12465 12.14005xr99999999 12.42245 sp5 3p - sp5 5p 6 0.00005 5.82085 0.00005 14.70225 8.06855xr99999999 8.32765 sp5 3p - sp5 6p 6 0.00005 4.23155 0.00005 10.51465 5.89085xr99999999 6.10265 sp5 3p - sp5 7p 6 0.00005 3.26325 0.00005 8.03925 4.55615xr99999999 4.72925 sp5 3p - sp5 4f 2 -12.29145 -.99955 0.00005 0.00005 0.00005xr99999999 sp5 3p - sp5 5f 2 -9.07745 -.78445 0.00005 0.00005 0.00005xr99999999 sp5 3p - sp5 6f 2 -6.86585 -.60645 0.00005 0.00005 0.00005xr99999999 sp5 4p - sp5 5p 6 0.00005 3.43895 0.00005 10.36495 4.56125xr99999999 4.92785 sp5 4p - sp5 6p 6 0.00005 2.52125 0.00005 7.39435 3.33835xr99999999 3.62835 sp5 4p - sp5 7p 6 0.00005 1.95395 0.00005 5.65085 2.58565xr99999999 2.81955 sp5 4p - sp5 4f 2 -1.59205 -.76775 0.00005 0.00005 0.00005xr99999999 sp5 4p - sp5 5f 2 -3.30715 -.63385 0.00005 0.00005 0.00005xr99999999 sp5 4p - sp5 6f 2 -3.00685 -.50545 0.00005 0.00005 0.00005xr99999999 sp5 5p - sp5 6p 6 0.00005 1.71065 0.00005 5.40005 2.23625xr99999999 2.46915 sp5 5p - sp5 7p 6 0.00005 1.32825 0.00005 4.11945 1.73305xr99999999 1.92085 sp5 5p - sp5 4f 2 -1.15915 -.56065 0.00005 0.00005 0.00005xr99999999 sp5 5p - sp5 5f 2 -1.06195 -.46865 0.00005 0.00005 0.00005xr99999999 sp5 5p - sp5 6f 2 -1.38605 -.37645 0.00005 0.00005 0.00005xr99999999 sp5 6p - sp5 7p 6 0.00005 .97945 0.00005 3.15225 1.27065xr99999999 1.41905 sp5 6p - sp5 4f 2 -.82385 -.42705 0.00005 0.00005 0.00005xr99999999 sp5 6p - sp5 5f 2 -.81985 -.35895 0.00005 0.00005 0.00005xr99999999 sp5 6p - sp5 6f 2 -.68885 -.28925 0.00005 0.00005 0.00005xr99999999 sp5 7p - sp5 4f 2 -.62525 -.33805 0.00005 0.00005 0.00005xr99999999 sp5 7p - sp5 5f 2 -.62475 -.28505 0.00005 0.00005 0.00005xr99999999 sp5 7p - sp5 6f 2 -.55305 -.23005 0.00005 0.00005 0.00005xr99999999 sp5 4f - sp5 5f 6 0.00005 .96575 0.00005 4.91615 .97665xr99999999 .63235 sp5 4f - sp5 6f 6 0.00005 .79275 0.00005 3.44135 .79955xr99999999 .51815 sp5 5f - sp5 6f 6 0.00005 .69045 0.00005 3.04105 .69275xr99999999 .45025 s viii s2p4 3s s viii s2p4 3s -.21894( 2p//r2// 2p) 1.000xr 100-100 s viii s2p4 3s s viii s2p4 4s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii s2p4 5s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii s2p4 6s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii s2p4 7s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii s2p4 8s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii s2p4 9s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii s2p4 3d 1.64347( 3s//r2// 3d) .991xr 85 -90 s viii s2p4 3s s viii s2p4 4d -1.09477( 3s//r2// 4d) -.747xr -10 -21 s viii s2p4 3s s viii s2p4 5d -.47229( 3s//r2// 5d) -.545xr -10 -32 s viii s2p4 3s s viii s2p4 6d -.27812( 3s//r2// 6d) -.447xr -8 -35 s viii s2p4 3s s viii s2p4 7d -.19043( 3s//r2// 7d) -.397xr -6 -37 s viii s2p4 3s s viii s2p4 8d -.14199( 3s//r2// 8d) -.369xr -5 -37 s viii s2p4 3s s viii s2p4 5g 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii s2p4 6g 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii sp6 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii sp5 3p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii sp5 4p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii sp5 5p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii sp5 6p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii sp5 7p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii sp5 4f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii sp5 5f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 3s s viii sp5 6f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii s2p4 3s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii s2p4 4s -.21716( 2p//r2// 2p) 1.000xr 100-100 s viii s2p4 4s s viii s2p4 5s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii s2p4 6s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii s2p4 7s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii s2p4 8s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii s2p4 9s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii s2p4 3d -1.31562( 4s//r2// 3d) -.729xr -7 -13 s viii s2p4 4s s viii s2p4 4d 6.58349( 4s//r2// 4d) .999xr 94 -96 s viii s2p4 4s s viii s2p4 5d -2.77291( 4s//r2// 5d) -.539xr 4 -7 s viii s2p4 4s s viii s2p4 6d -1.20305( 4s//r2// 6d) -.363xr -1 -3 s viii s2p4 4s s viii s2p4 7d -.70816( 4s//r2// 7d) -.286xr -2 -8 s viii s2p4 4s s viii s2p4 8d -.48435( 4s//r2// 8d) -.247xr -2 -10 s viii s2p4 4s s viii s2p4 5g 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii s2p4 6g 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii sp6 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii sp5 3p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii sp5 4p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii sp5 5p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii sp5 6p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii sp5 7p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii sp5 4f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii sp5 5f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 4s s viii sp5 6f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii s2p4 3s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii s2p4 4s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii s2p4 5s -.21668( 2p//r2// 2p) 1.000xr 100-100 s viii s2p4 5s s viii s2p4 6s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii s2p4 7s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii s2p4 8s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii s2p4 9s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii s2p4 3d -.19345( 5s//r2// 3d) -.181xr -1 -4 s viii s2p4 5s s viii s2p4 4d -5.02130( 5s//r2// 4d) -.720xr -12 -18 s viii s2p4 5s s viii s2p4 5d 17.76814( 5s//r2// 5d) 1.000xr 96 -98 s viii s2p4 5s s viii s2p4 6d -5.78433( 5s//r2// 6d) -.424xr 10 -17 s viii s2p4 5s s viii s2p4 7d -2.48178( 5s//r2// 7d) -.269xr 3 -7 s viii s2p4 5s s viii s2p4 8d -1.44727( 5s//r2// 8d) -.204xr 1 -3 s viii s2p4 5s s viii s2p4 5g 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii s2p4 6g 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii sp6 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii sp5 3p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii sp5 4p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii sp5 5p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii sp5 6p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii sp5 7p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii sp5 4f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii sp5 5f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 5s s viii sp5 6f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii s2p4 3s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii s2p4 4s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii s2p4 5s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii s2p4 6s -.21650( 2p//r2// 2p) 1.000xr 100-100 s viii s2p4 6s s viii s2p4 7s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii s2p4 8s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii s2p4 9s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii s2p4 3d -.08722( 6s//r2// 3d) -.118xr 0 -2 s viii s2p4 6s s viii s2p4 4d -.68375( 6s//r2// 4d) -.154xr -3 -7 s viii s2p4 6s s viii s2p4 5d -13.34336( 6s//r2// 5d) -.723xr -16 -22 s viii s2p4 6s s viii s2p4 6d 38.90711( 6s//r2// 6d) .999xr 96 -99 s viii s2p4 6s s viii s2p4 7d -10.68232( 6s//r2// 7d) -.356xr 14 -22 s viii s2p4 6s s viii s2p4 8d -4.51517( 6s//r2// 8d) -.214xr 5 -12 s viii s2p4 6s s viii s2p4 5g 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii s2p4 6g 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii sp6 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii sp5 3p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii sp5 4p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii sp5 5p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii sp5 6p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii sp5 7p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii sp5 4f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii sp5 5f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 6s s viii sp5 6f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii s2p4 3s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii s2p4 4s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii s2p4 5s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii s2p4 6s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii s2p4 7s -.21642( 2p//r2// 2p) 1.000xr 100-100 s viii s2p4 7s s viii s2p4 8s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii s2p4 9s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii s2p4 3d -.05348( 7s//r2// 3d) -.096xr 0 -1 s viii s2p4 7s s viii s2p4 4d -.29261( 7s//r2// 4d) -.091xr -1 -4 s viii s2p4 7s s viii s2p4 5d -1.67291( 7s//r2// 5d) -.135xr -4 -9 s viii s2p4 7s s viii s2p4 6d -28.98575( 7s//r2// 6d) -.728xr -19 -26 s viii s2p4 7s s viii s2p4 7d 74.55702( 7s//r2// 7d) .998xr 95 -99 s viii s2p4 7s s viii s2p4 8d -18.10979( 7s//r2// 8d) -.311xr 16 -24 s viii s2p4 7s s viii s2p4 5g 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii s2p4 6g 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii sp6 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii sp5 3p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii sp5 4p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii sp5 5p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii sp5 6p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii sp5 7p 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii sp5 4f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii sp5 5f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 7s s viii sp5 6f 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 8s s viii s2p4 3s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 8s s viii s2p4 4s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 8s s viii s2p4 5s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 8s s viii s2p4 6s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 8s s viii s2p4 7s 0.00000( //r2// ) 0.000xr 0 0 s viii s2p4 8s s viii s2p4 8s -.21637( 2p//r2// 2p) 1.000xr 100-100 s viii s2p4 8s s viii s2p4 9s 0.00000( //r2// 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0.000xr 0 0 s viii sp5 4s s viii s2p4 8d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 4s s viii s2p4 5g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 4s s viii s2p4 6g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 4s s viii sp6 -.04941( 4s//r1// 2p) .337xr 0 -3 s viii sp5 4s s viii sp5 3p -.43637( 4s//r1// 3p) .471xr 4 -7 s viii sp5 4s s viii sp5 4p 2.40833( 4s//r1// 4p)-1.000xr -99-100 s viii sp5 4s s viii sp5 5p -.47028( 4s//r1// 5p) .284xr -5 -8 s viii sp5 4s s viii sp5 6p -.23194( 4s//r1// 6p) .215xr -1 -4 s viii sp5 4s s viii sp5 7p -.14859( 4s//r1// 7p) .185xr 0 -2 s viii sp5 4s s viii sp5 4f 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 4s s viii sp5 5f 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 4s s viii sp5 6f 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 3s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 4s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 5s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 6s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 7s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 8s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 9s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 3d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 4d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 5d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 6d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 7d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 8d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 5g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii s2p4 6g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5s s viii sp6 -.02890( 5s//r1// 2p) .297xr 0 -4 s viii sp5 5s s viii sp5 3p -.15227( 5s//r1// 3p) .278xr 1 -3 s viii sp5 5s s viii sp5 4p -.86895( 5s//r1// 4p) .462xr 6 -10 s viii sp5 5s s viii sp5 5p 3.94432( 5s//r1// 5p)-1.000xr -99-100 s viii sp5 5s s viii sp5 6p -.66723( 5s//r1// 6p) .238xr -7 -11 s viii sp5 5s s viii sp5 7p -.32513( 5s//r1// 7p) .170xr -2 -6 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s viii sp5 6s s viii s2p4 6g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6s s viii sp6 -.01986( 6s//r1// 2p) .279xr 0 -4 s viii sp5 6s s viii sp5 3p -.08690( 6s//r1// 3p) .224xr 0 -2 s viii sp5 6s s viii sp5 4p -.29222( 6s//r1// 4p) .244xr 2 -5 s viii sp5 6s s viii sp5 5p -1.43788( 6s//r1// 5p) .457xr 8 -12 s viii sp5 6s s viii sp5 6p 5.84543( 6s//r1// 6p)-1.000xr -99-100 s viii sp5 6s s viii sp5 7p -.89778( 6s//r1// 7p) .210xr -8 -12 s viii sp5 6s s viii sp5 4f 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6s s viii sp5 5f 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6s s viii sp5 6f 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 3s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 4s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 5s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 6s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 7s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 8s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 9s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 3d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 4d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 5d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 6d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 7d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 8d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 5g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii s2p4 6g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii sp6 -.01484( 7s//r1// 2p) .270xr 0 -4 s viii sp5 7s s viii sp5 3p -.05921( 7s//r1// 3p) .200xr 0 -1 s viii sp5 7s s viii sp5 4p -.16393( 7s//r1// 4p) .186xr 1 -3 s viii sp5 7s s viii sp5 5p -.47208( 7s//r1// 5p) .225xr 3 -6 s viii sp5 7s s viii sp5 6p -2.14413( 7s//r1// 6p) .455xr 9 -13 s viii sp5 7s s viii sp5 7p 8.11216( 7s//r1// 7p)-1.000xr -99-100 s viii sp5 7s s viii sp5 4f 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii sp5 5f 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7s s viii sp5 6f 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 3s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 4s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 5s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 6s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 7s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 8s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 9s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 3d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 4d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 5d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 6d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 7d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 8d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 5g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii s2p4 6g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 8s s viii sp6 -.01168( 8s//r1// 2p) .264xr 0 -4 s 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//r1// ) 0.000xr 0 0 s viii sp5 3d s viii s2p4 5d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 3d s viii s2p4 6d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 3d s viii s2p4 7d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 3d s viii s2p4 8d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 3d s viii s2p4 5g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 3d s viii s2p4 6g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 3d s viii sp6 .46814( 3d//r1// 2p) 1.000xr 48-100 s viii sp5 3d s viii sp5 3p -1.65780( 3d//r1// 3p) -.979xr -87 -92 s viii sp5 3d s viii sp5 4p .55064( 3d//r1// 4p) .432xr 3 -6 s viii sp5 3d s viii sp5 5p .16589( 3d//r1// 5p) .216xr 0 -1 s viii sp5 3d s viii sp5 6p .08993( 3d//r1// 6p) .164xr 0 0 s viii sp5 3d s viii sp5 7p .05971( 3d//r1// 7p) .142xr 0 0 s viii sp5 3d s viii sp5 4f -1.95731( 3d//r1// 4f) 1.000xr 69-100 s viii sp5 3d s viii sp5 5f -.72102( 3d//r1// 5f) .654xr 35 -84 s viii sp5 3d s viii sp5 6f -.40777( 3d//r1// 6f) .522xr 23 -76 s viii sp5 4d s viii s2p4 3s 0.00000( //r1// ) 0.000xr 0 0 s 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s viii s2p4 6d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 7d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 8d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 5g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5d s viii s2p4 6g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 5d s viii sp6 .13855( 5d//r1// 2p) .834xr 18 -94 s viii sp5 5d s viii sp5 3p .34379( 5d//r1// 3p) .466xr 10 -30 s viii sp5 5d s viii sp5 4p .88204( 5d//r1// 4p) .365xr 1 -2 s viii sp5 5d s viii sp5 5p -5.73091( 5d//r1// 5p) -.999xr -97 -99 s viii sp5 5d s viii sp5 6p 2.03623( 5d//r1// 6p) .442xr 7 -11 s viii sp5 5d s viii sp5 7p .61106( 5d//r1// 7p) .197xr 2 -4 s viii sp5 5d s viii sp5 4f -.61802( 5d//r1// 4f) .229xr -2 -4 s viii sp5 5d s viii sp5 5f 6.58319( 5d//r1// 5f) -.979xr -86 -91 s viii sp5 5d s viii sp5 6f -3.15260( 5d//r1// 6f) .583xr 23 -35 s viii sp5 6d s viii s2p4 3s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 4s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 5s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 6s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 7s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 8s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 9s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 3d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 4d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 5d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 6d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 7d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 8d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 5g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii s2p4 6g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 6d s viii sp6 .09807( 6d//r1// 2p) .801xr 13 -92 s viii sp5 6d s viii sp5 3p .22235( 6d//r1// 3p) .417xr 7 -32 s viii sp5 6d s viii sp5 4p .46368( 6d//r1// 4p) .292xr 3 -9 s viii sp5 6d s viii sp5 5p 1.13112( 6d//r1// 5p) .277xr -3 -6 s viii sp5 6d s viii sp5 6p -8.51475( 6d//r1// 6p) -.999xr -98 -99 s viii sp5 6d s viii sp5 7p 3.10644( 6d//r1// 7p) .449xr 9 -12 s viii sp5 6d s viii sp5 4f -.19557( 6d//r1// 4f) .108xr -1 -4 s viii sp5 6d s viii sp5 5f -1.27904( 6d//r1// 5f) .253xr -2 -4 s viii sp5 6d s viii sp5 6f 10.20110( 6d//r1// 6f) -.991xr -91 -95 s viii sp5 7d s viii s2p4 3s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 4s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 5s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 6s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 7s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 8s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 9s 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 3d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 4d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 5d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 6d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 7d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 8d 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 5g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii s2p4 6g 0.00000( //r1// ) 0.000xr 0 0 s viii sp5 7d s viii sp6 .07460( 7d//r1// 2p) .782xr 10 -91 s viii sp5 7d s viii sp5 3p .16081( 7d//r1// 3p) .390xr 6 -32 s viii sp5 7d s viii sp5 4p .30322( 7d//r1// 4p) .255xr 3 -11 s viii sp5 7d s viii sp5 5p .59492( 7d//r1// 5p) .213xr 0 0 s viii sp5 7d s viii sp5 6p 1.41292( 7d//r1// 6p) .228xr -6 -10 s viii sp5 7d s viii sp5 7p -11.80537( 7d//r1// 7p)-1.000xr -98 -99 s viii sp5 7d s viii sp5 4f -.10444( 7d//r1// 4f) .077xr -1 -4 s viii sp5 7d s viii sp5 5f -.40945( 7d//r1// 5f) .117xr -1 -4 s viii sp5 7d s viii sp5 6f -2.11260( 7d//r1// 6f) .267xr -2 -3 -99999999.0