1 82727823230 1 3 1000 7 d 6 s 0 p 0 s 0 d 0 s 0 d 0 s 0 d 4 s 2 p 0 s 0 d 0 s 0 d 0 s 0 d 4 s 1 p 0 s 1 d 0 s 0 d 0 s 0 d 4 s 1 p 0 s 1 d 0 s 0 d 0 s 0 d 4 s 1 p 0 s 1 d 0 s 0 d 0 s 0 d 4 s 1 p 0 s 0 d 1 s 0 d 0 s 0 d 4 s 1 p 0 s 0 d 1 s 0 d 0 s 0 d 4 s 1 p 0 s 0 d 1 s 0 d 0 s 0 d 4 s 1 p 0 s 0 d 1 s 0 d 0 s 0 d 5 s 1 p 0 s 0 d 0 s 0 d 0 s 0 d 5 s 0 p 0 s 1 d 0 s 0 d 0 s 0 d 5 s 0 p 0 s 0 d 0 s 1 d 0 s 0 d 5 s 0 p 0 s 0 d 0 s 1 d 0 s 0 d 5 s 0 p 0 s 0 d 1 s 0 d 0 s 0 d 5 s 0 p 0 s 0 d 0 s 0 d 1 s 0 d 5 s 0 p 0 s 0 d 0 s 0 d 1 s 0 d 4 s 0 p 2 s 0 d 0 s 0 d 0 s 0 d 3 s 2 p 0 s 1 d 0 s 0 d 0 s 0 d 3 s 2 p 0 s 0 d 0 s 1 d 0 s 0 d 3 s 2 p 0 s 0 d 0 s 0 d 0 s 1 d 3 s 2 p 0 s 0 d 1 s 0 d 0 s 0 d 3 s 2 p 0 s 0 d 0 s 0 d 1 s 0 d 3 s 2 p 0 s 0 d 0 s 0 d 0 d 1 d 3 s 2 p 0 s 0 d 0 s 0 d 0 d 1 d 3 s 2 p 0 s 0 d 0 s 0 d 0 g 1 d 3 s 2 p 0 s 0 d 0 s 0 d 0 g 1 d 3 s 1 p 2 s 0 d 0 s 0 d 0 s 0 d 5 s 0 p 1 p 0 f 0 p 0 f 0 p 0 d 5 s 0 p 0 p 1 f 0 p 0 f 0 p 0 d 5 s 0 p 0 p 1 f 0 p 0 f 0 p 0 d 5 s 0 p 0 p 1 f 0 p 0 f 0 p 0 d 5 s 0 p 0 p 0 f 1 p 0 f 0 p 0 d 5 s 0 p 0 p 0 f 1 p 0 f 0 p 0 d 5 s 0 p 0 p 0 f 1 p 0 f 0 p 0 d 4 s 1 p 1 p 0 f 0 p 0 f 0 p 0 d 4 s 1 p 0 p 1 f 0 p 0 f 0 p 0 d 4 s 1 p 0 p 0 f 0 p 1 f 0 p 0 d 4 s 1 p 0 p 0 f 0 p 1 f 0 p 0 d 4 s 1 p 0 p 0 f 1 p 0 f 0 p 0 d 4 s 1 p 0 p 0 f 0 p 0 f 1 p 0 d 3 s 2 p 1 p 0 f 0 p 0 f 0 p 0 d 3 s 2 p 0 p 1 f 0 p 0 f 0 p 0 d 3 s 2 p 0 p 0 f 0 p 1 f 0 p 0 d 3 s 2 p 0 p 0 f 0 p 0 f 0 p 1 d 3 s 2 p 0 p 0 f 1 p 0 f 0 p 0 d 3 s 2 p 0 p 0 f 0 p 0 f 1 p 0 d 3 s 2 p 0 p 0 f 0 p 0 f 0 f 1 d 3 s 2 p 0 p 0 f 0 p 0 f 0 f 1 d 3 s 2 p 0 p 0 f 0 p 0 f 0 f 1 d 3 s 2 p 0 p 0 f 0 p 0 f 0 h 1 os iiid6 4 0.00000 59.39031 39.10571 3.49352 0.00000xr99999999 os iiid4 6s2 4 62.41060 63.29581 41.97281 3.97652 0.00000xr99999999 os iiid4 6s7s 7 176.12010 64.71861 43.04341 4.11332 23.16264xr99999999 3.18434 3.17444 os iiid4 6s8s 7 217.21190 64.90551 43.18321 4.13262 23.32134xr99999999 1.23344 1.07924 os iiid4 6s9s 7 236.24660 64.97231 43.23321 4.13942 23.38244xr99999999 .61354 .50794 os iiid4 6s6d 12 182.42840 64.54521 42.91281 4.09892 .55762xr99999999 13.04943 5.88163 22.93184 2.95024 3.95764 3.26434 9.68434 os iiid4 6s7d 12 220.51160 64.85331 43.14371 4.12762 .22642xr99999999 4.73883 2.10963 23.30564 1.03704 1.44784 1.22304 2.98824 os iiid4 6s8d 12 238.07220 64.94981 43.21611 4.13712 .11632xr99999999 2.30613 1.03773 23.38304 .49894 .71074 .60664 1.39234 os iiid4 6s9d 12 247.87790 64.99011 43.24641 4.14122 .06822xr99999999 1.31153 .59653 23.40914 .28324 .40744 .34964 .77684 os iiid5 6s 5 23.39230 61.34141 40.53421 3.72822 22.95104xr99999999 os iiid5 7s 5 133.93670 63.02051 41.79351 3.87832 3.18384xr99999999 os iiid5 8s 5 172.69200 63.23881 41.95631 3.89922 1.24274xr99999999 os iiid5 9s 5 191.04970 63.31861 42.01591 3.90682 .62534xr99999999 os iiid5 6d 10 139.31690 62.78661 41.61761 3.86042 .50912xr99999999 12.28043 5.50583 2.86464 3.78684 3.09964 os iiid5 7d 10 175.79710 63.15531 41.89321 3.89212 .22342xr99999999 4.74183 2.12543 1.08464 1.49254 1.25194 os iiid5 8d 10 192.80780 63.28041 41.98701 3.90332 .11742xr99999999 2.35233 1.06813 .53274 .74834 .63454 os iiid4 6p2 9 180.01530 64.48671 42.86521 34.56751 4.10382xr99999999 9.10482 27.05093 12.09274 10.16344 os iiid3 6s2 7s 5 235.11780 66.44161 44.31781 4.36092 3.17134xr99999999 os iiid3 6s2 8s 5 278.27060 66.60141 44.43781 4.37852 1.20874xr99999999 os iiid3 6s2 9s 5 297.91470 66.65731 44.47971 4.38472 .59474xr99999999 os iiid3 6s2 6d 10 241.04300 66.33781 44.24001 4.35062 .56592xr99999999 12.78353 5.83483 4.02074 4.30494 3.46744 os iiid3 6s2 7d 10 281.42250 66.56801 44.41261 4.37492 .22452xr99999999 4.61343 2.07933 1.35854 1.53654 1.26744 os iiid3 6s2 8d 10 299.66820 66.64201 44.46811 4.38292 .11502xr99999999 2.24953 1.02393 .64574 .75044 .62574 os iiid3 6s2 9d 10 309.75810 66.67351 44.49181 4.38642 .06752xr99999999 1.28243 .58963 .36394 .42934 .36014 os iiid3 6s2 5g 10 293.78360 66.71171 44.52041 4.39142 .00042xr99999999 1.58863 .25293 .07444 .04864 .03554 os iiid3 6s2 6g 10 306.16540 66.71081 44.51981 4.39132 .00022xr99999999 .98913 .20463 .08494 .05564 .04074 os iiid3 6p2 6s 11 226.76670 66.27811 44.19131 35.65611 4.35572xr99999999 9.84202 27.96403 22.53744 12.02194 10.26654 44.43514 d6 -d4 6s2 1 25.17015 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d4 6s7s 1 8.05855 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d4 6s8s 1 4.72535 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d4 6s9s 1 3.23615 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d4 6s6d 1 3.02615 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d4 6s7d 1 2.29875 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d4 6s8d 1 1.74955 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d4 6s9d 1 1.37445 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d5 6s 1 -27.78725 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d5 7s 1 -10.39565 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d5 8s 1 -6.41365 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d5 9s 1 -4.51905 0.00005 0.00005 0.00005 0.00005xr99999999 d6 -d5 6d 3 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10.34034 os iiid4 6s6f 12 229.21940 64.85721 43.14521 4.13152 .01782xr99999999 5.32633 2.57143 23.27764 3.83094 2.33744 1.64774 4.88834 os iiid3 6s2 6p 8 165.08020 65.75561 43.79811 4.29572 9.50252xr99999999 27.63933 11.95044 10.16774 os iiid3 6s2 7p 8 255.99550 66.50831 44.36741 4.36802 2.60122xr99999999 7.29273 2.11614 2.04654 os iiid3 6s2 8p 8 287.39810 66.62301 44.45381 4.38072 1.22512xr99999999 3.19853 .89324 .89084 os iiid3 6s2 9p 8 302.79450 66.66561 44.48591 4.38552 .67702xr99999999 1.69603 .46954 .47484 os iiid3 6s2 5f 10 264.67540 66.42091 44.29891 4.36852 .03602xr99999999 12.74133 5.83563 8.05174 4.84004 3.39084 os iiid3 6s2 6f 10 290.56170 66.55981 44.40491 4.37742 .02202xr99999999 5.61613 2.76863 4.19684 2.56964 1.81554 os iiid3 6s2 7f 10 304.24540 66.63291 44.46061 4.38352 .01292xr99999999 2.87663 1.45513 2.25934 1.39664 .99124 os iiid3 6s2 8f 10 312.40770 66.66671 44.48631 4.38652 .00812xr99999999 1.68903 .86703 1.35844 .84434 .60084 os iiid3 6s2 9f 10 317.64600 66.68441 44.49971 4.38822 .00542xr99999999 1.08303 .56123 .88304 .55084 .39264 os iiid3 6s2 6h 10 306.56680 66.71691 44.52441 4.39142 .00022xr99999999 .46893 .02963 .00094 .00064 .00054 d5 6p -d5 7p 4 .52755 8.97535 5.00915 4.42905 0.00005xr99999999 d5 6p -d5 8p 4 .33195 5.35335 3.12495 2.80735 0.00005xr99999999 d5 6p -d5 9p 4 .23725 3.73305 2.22525 2.01175 0.00005xr99999999 d5 6p -d5 5f 4 -12.86755 -6.21155 -6.68305 -4.64605 0.00005xr99999999 d5 6p -d5 6f 4 -9.22655 -4.76605 -5.25185 -3.70215 0.00005xr99999999 d5 6p -d5 7f 4 -6.62265 -3.54165 -3.96105 -2.80905 0.00005xr99999999 d5 6p -d4 6s6p 3 -27.59145 -22.73135 -20.57465 0.00005 0.00005xr99999999 d5 6p -d4 6s7p 2 -5.83305 -7.56685 0.00005 0.00005 0.00005xr99999999 d5 6p -d4 6s8p 2 -3.17255 -4.62445 0.00005 0.00005 0.00005xr99999999 d5 6p -d4 6s9p 2 -2.10455 -3.25705 0.00005 0.00005 0.00005xr99999999 d5 6p -d4 6s5f 2 14.82125 16.62025 0.00005 0.00005 0.00005xr99999999 d5 6p -d4 6s6f 2 9.64035 12.35865 0.00005 0.00005 0.00005xr99999999 d5 6p 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0.00005 0.00005 0.00005xr99999999 d5 9p -d4 6s9p 2 -1.44055 -.55535 0.00005 0.00005 0.00005xr99999999 d5 9p -d4 6s5f 2 .71505 2.32415 0.00005 0.00005 0.00005xr99999999 d5 9p -d4 6s6f 2 .82865 1.86695 0.00005 0.00005 0.00005xr99999999 d5 9p -d3 6s2 7p1 .82865 0.00005 0.00005 0.00005 0.00005xr99999999 d5 5f -d5 6f 6 0.00005 5.60025 2.89725 4.16855 2.50855xr99999999 1.75635 d5 5f -d5 7f 6 0.00005 3.77895 2.11105 3.19785 1.93085xr99999999 1.35405 d5 5f -d4 6s6p 2 13.13795 8.11865 0.00005 0.00005 0.00005xr99999999 d5 5f -d4 6s7p 2 .55385 3.01695 0.00005 0.00005 0.00005xr99999999 d5 5f -d4 6s8p 2 .54765 1.83525 0.00005 0.00005 0.00005xr99999999 d5 5f -d4 6s9p 2 .39465 1.28805 0.00005 0.00005 0.00005xr99999999 d5 5f -d4 6s5f 3 -27.80925 -10.50495 -5.32375 0.00005 0.00005xr99999999 d5 5f -d4 6s6f 2 -5.22255 -3.89055 0.00005 0.00005 0.00005xr99999999 d5 5f -d3 6s2 5f1 25.10445 0.00005 0.00005 0.00005 0.00005xr99999999 d5 6f -d5 7f 6 0.00005 3.38595 1.74565 2.62065 1.60065xr99999999 1.12825 d5 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6p 0.00000( //r1// ) 0.000xr 0 0 os iiid4 6s7d os iiid5 7p 0.00000( //r1// ) 0.000xr 0 0 os iiid4 6s7d os iiid5 8p 0.00000( //r1// ) 0.000xr 0 0 os iiid4 6s7d os iiid5 9p 0.00000( //r1// ) 0.000xr 0 0 os iiid4 6s7d os iiid5 5f 0.00000( //r1// ) 0.000xr 0 0 os iiid4 6s7d os iiid5 6f 0.00000( //r1// ) 0.000xr 0 0 os iiid4 6s7d os iiid5 7f 0.00000( //r1// ) 0.000xr 0 0 os iiid4 6s7d os iiid4 6s6p -.89938( 7d//r1// 6p) -.414xr -28 -67 os iiid4 6s7d os iiid4 6s7p -7.68884( 7d//r1// 7p) -.937xr -69 -89 os iiid4 6s7d os iiid4 6s8p 10.03129( 7d//r1// 8p) .895xr 61 -76 os iiid4 6s7d os iiid4 6s9p .87400( 7d//r1// 9p) .120xr 15 -29 os iiid4 6s7d os iiid4 6s5f 4.73996( 7d//r1// 5f) -.618xr -20 -30 os iiid4 6s7d os iiid4 6s6f -14.69885( 7d//r1// 6f) .996xr 93 -98 os iiid4 6s7d os iiid3 6s2 6p 0.00000( //r1// ) 0.000xr 0 0 os iiid4 6s7d os iiid3 6s2 7p 0.00000( //r1// ) 0.000xr 0 0 os iiid4 6s7d os iiid3 6s2 8p 0.00000( //r1// ) 0.000xr 0 0 os iiid4 6s7d os iiid3 6s2 9p 0.00000( //r1// ) 0.000xr 0 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8p 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid5 9p 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid5 5f 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid5 6f 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid5 7f 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid4 6s6p 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid4 6s7p 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid4 6s8p 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid4 6s9p 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid4 6s5f 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid4 6s6f 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid3 6s2 6p -1.72815( 7s//r1// 6p) .718xr 27 -43 os iiid3 6s2 7s os iiid3 6s2 7p 5.23947( 7s//r1// 7p) -.992xr -90 -98 os iiid3 6s2 7s os iiid3 6s2 8p .24221( 7s//r1// 8p) -.077xr -21 -41 os iiid3 6s2 7s os iiid3 6s2 9p .06061( 7s//r1// 9p) -.029xr -11 -32 os iiid3 6s2 7s os iiid3 6s2 5f 0.00000( //r1// ) 0.000xr 0 0 os iiid3 6s2 7s os iiid3 6s2 6f 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