1 72626724240 1 3 1000 7 s 2 p 3 p 0 f 0 h 0 s 0 d 0 s 2 p 2 p 1 f 0 h 0 s 0 d 0 s 2 p 2 p 1 f 0 h 0 s 0 d 0 s 2 p 2 p 1 f 0 h 0 s 0 d 0 s 2 p 2 p 1 f 0 h 0 s 0 d 0 s 2 p 2 p 1 f 0 h 0 s 0 d 0 s 2 p 2 p 1 f 0 h 0 s 0 d 0 s 2 p 2 p 0 f 1 h 0 s 0 d 0 s 2 p 2 p 0 f 1 h 0 s 0 d 0 s 2 p 2 p 0 f 1 h 0 s 0 d 0 s 2 p 2 p 0 f 1 h 0 s 0 d 0 s 2 p 2 p 0 f 1 h 0 s 0 d 0 s 2 p 2 p 0 f 0 h 1 s 0 d 0 s 2 p 2 p 0 f 0 h 1 s 0 d 0 s 1 p 3 p 0 f 0 h 0 s 1 d 0 s 1 p 3 p 0 f 0 h 0 s 1 d 0 s 1 p 3 p 0 f 0 h 0 s 1 d 0 s 1 p 3 p 0 f 0 h 0 s 1 d 0 s 1 p 3 p 0 f 0 h 0 s 1 d 0 s 1 p 3 p 0 f 0 h 0 s 1 d 0 s 1 p 3 p 0 f 0 h 0 s 0 d 1 s 1 p 3 p 0 f 0 h 0 s 0 d 1 s 1 p 3 p 0 f 0 h 0 s 0 d 1 s 1 p 3 p 0 f 0 h 0 s 0 d 1 s 1 p 3 p 0 f 0 h 0 s 0 d 1 s 0 p 5 p 0 f 0 h 0 s 0 d 0 s 2 p 2 s 1 d 0 g 0 p 0 f 0 s 2 p 2 s 1 d 0 g 0 p 0 f 0 s 2 p 2 s 1 d 0 g 0 p 0 f 0 s 2 p 2 s 1 d 0 g 0 p 0 f 0 s 2 p 2 s 1 d 0 g 0 p 0 f 0 s 2 p 2 s 1 d 0 g 0 p 0 f 0 s 2 p 2 s 0 d 1 g 0 p 0 f 0 s 2 p 2 s 0 d 1 g 0 p 0 f 0 s 2 p 2 s 0 d 1 g 0 p 0 f 0 s 2 p 2 s 0 d 1 g 0 p 0 f 0 s 2 p 2 s 0 d 1 g 0 p 0 f 0 s 2 p 2 s 0 d 1 g 0 p 0 f 0 s 2 p 2 s 0 d 0 g 1 p 0 f 0 s 2 p 2 s 0 d 0 g 1 p 0 f 0 s 1 p 4 s 0 d 0 g 0 p 0 f 0 s 1 p 3 s 0 d 0 g 0 p 1 f 0 s 1 p 3 s 0 d 0 g 0 p 1 f 0 s 1 p 3 s 0 d 0 g 0 p 1 f 0 s 1 p 3 s 0 d 0 g 0 p 1 f 0 s 1 p 3 s 0 d 0 g 0 p 1 f 0 s 1 p 3 s 0 d 0 g 0 p 0 f 1 s 1 p 3 s 0 d 0 g 0 p 0 f 1 s 1 p 3 s 0 d 0 g 0 p 0 f 1 s 1 p 3 s 0 d 0 g 0 p 0 f 1 cr x s2p3 3 0.00000 123.30091 7.65462 0.00000 0.00000xr99999999 cr x s2p2 4p 71010.87420 125.09401 7.95982 2.45302 44.85133xr99999999 12.67364 14.95914 cr x s2p2 5p 71383.43870 125.68251 8.02952 1.10562 18.67493xr99999999 4.29914 5.46454 cr x s2p2 6p 71567.16060 125.87631 8.05402 .59332 9.49163xr99999999 2.04374 2.68044 cr x s2p2 7p 71671.78120 125.95801 8.06482 .35612 5.49413xr99999999 1.15004 1.53374 cr x s2p2 8p 71737.11770 125.99901 8.07032 .23072 3.47233xr99999999 .71674 .96544 cr x s2p2 9p 71780.66620 126.02211 8.07342 .15812 2.33763xr99999999 .47874 .64914 cr x s2p2 4f 71222.76550 125.16851 7.97122 .03302 53.76083xr99999999 36.78914 24.49604 cr x s2p2 5f 71480.38440 125.74611 8.03402 .01742 22.43863xr99999999 15.80604 10.83684 cr x s2p2 6f 71619.99300 125.90991 8.05612 .01012 11.66203xr99999999 8.15674 5.68034 cr x s2p2 7f 71703.84660 125.97581 8.06572 .00642 6.91433xr99999999 4.80534 3.37774 cr x s2p2 8f 71758.06410 126.00911 8.07072 .00432 4.45993xr99999999 3.08554 2.18194 cr x s2p2 6h 71627.67870 126.05521 8.07892 .00192 4.48753xr99999999 .09284 .06894 cr x s2p2 7h 71708.71570 126.05381 8.07882 .00122 2.84023xr99999999 .10904 .08114 cr x sp3 4s 61178.34030 125.01111 7.94922 163.83414 11.79804xr99999999 15.17674 cr x sp3 5s 61600.42460 125.64501 8.02272 164.46514 3.84854xr99999999 5.11084 cr x sp3 6s 61803.59340 125.83681 8.04702 164.65964 1.79924xr99999999 2.42764 cr x sp3 7s 61917.34110 125.91591 8.05742 164.74054 1.00174xr99999999 1.36334 cr x sp3 8s 61987.52930 125.95531 8.06272 164.78094 .61944xr99999999 .84744 cr x sp3 9s 62033.89280 125.97731 8.06562 164.80354 .41124xr99999999 .56454 cr x sp3 3d 9 642.68800 123.12141 7.61772 .58412 121.84653xr99999999 161.74094 110.77164 142.07544 91.40794 cr x sp3 4d 91400.10590 125.06761 7.94942 .20292 41.81423xr99999999 163.87784 10.10944 10.45334 11.14834 cr x sp3 5d 91702.41510 125.61641 8.01722 .09782 17.96963xr99999999 164.43214 3.99734 3.92144 4.46944 cr x sp3 6d 91858.91170 125.81441 8.04302 .05442 9.34923xr99999999 164.63494 2.06894 1.97884 2.29854 cr x sp3 7d 91950.72520 125.90031 8.05462 .03342 5.50853xr99999999 164.72344 1.22734 1.15764 1.35474 cr x p5 2 595.05790 7.64622 0.00000 0.00000 0.00000xr99999999 s2p3 -s2p2 4p 2 4.53505 20.19595 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 5p 2 2.16465 8.09555 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 6p 2 1.33665 4.38995 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 7p 2 .93805 2.80165 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 8p 2 .70925 1.97505 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 9p 2 .56295 1.48735 0.00005 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0.00005 0.00005 0.00005xr99999999 s2p2 5p -s2p2 6f 2 2.43335 -.91855 0.00005 0.00005 0.00005xr99999999 s2p2 5p -s2p2 7f 2 .57205 -.92335 0.00005 0.00005 0.00005xr99999999 s2p2 5p -s2p2 8f 2 -.15515 -.85175 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 4s 2 27.55375 6.95665 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 5s 2 35.50405 4.03705 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 6s 2 14.46145 2.74785 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 7s 2 9.41885 2.03955 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 8s 2 6.90205 1.59715 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 9s 2 5.38725 1.29735 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 3d 2 9.84825 6.46545 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 4d 2 20.43635 6.51745 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 5d 2 32.40145 4.00855 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 6d 2 16.28445 2.71415 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 7d 2 10.62555 1.99105 0.00005 0.00005 0.00005xr99999999 s2p2 6p -s2p2 7p 4 0.00005 6.45465 1.53145 2.02325 0.00005xr99999999 s2p2 6p -s2p2 8p 4 0.00005 4.87745 1.20695 1.59975 0.00005xr99999999 s2p2 6p -s2p2 9p 4 0.00005 3.88015 .98485 1.30755 0.00005xr99999999 s2p2 6p -s2p2 4f 2 5.18625 1.26595 0.00005 0.00005 0.00005xr99999999 s2p2 6p -s2p2 5f 2 4.19635 .07895 0.00005 0.00005 0.00005xr99999999 s2p2 6p -s2p2 6f 2 3.85365 -.25655 0.00005 0.00005 0.00005xr99999999 s2p2 6p -s2p2 7f 2 1.98405 -.34235 0.00005 0.00005 0.00005xr99999999 s2p2 6p -s2p2 8f 2 1.10745 -.34955 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 4s 2 16.13265 4.70615 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 5s 2 17.62065 2.77565 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 6s 2 19.50585 1.90275 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 7s 2 9.48315 1.41765 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 8s 2 6.64285 1.11265 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 9s 2 5.08775 .90515 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 3d 2 5.96715 3.27135 0.00005 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7p 0.00000( //r2// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 cr x sp3 6d cr x sp3 4s -.55028( 6d//r2// 4s) -.364xr 1 -5 cr x sp3 6d cr x sp3 5s -2.37953( 6d//r2// 5s) -.352xr 16 -26 cr x sp3 6d cr x sp3 6s 20.79184( 6d//r2// 6s) .997xr 93 -99 cr x sp3 6d cr x sp3 7s -17.77775( 6d//r2// 7s) -.780xr -26 -35 cr x sp3 6d cr x sp3 8s -1.50821( 6d//r2// 8s) -.095xr -7 -15 cr x sp3 6d cr x sp3 9s -.54883( 6d//r2// 9s) -.046xr -4 -10 cr x sp3 6d cr x sp3 3d .10396( 6d//r2// 3d) -.295xr 0 0 cr x sp3 6d cr x sp3 4d .71010( 6d//r2// 4d) 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s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 4s 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 5s 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 6s 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 7s 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 8s 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 9s 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 3d 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 4d 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 5d 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 6d 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x sp3 7d 0.00000( //r2// ) 0.000xr 0 0 cr x p5 cr x p5 -.83339( 3p//r2// 3p) 1.000xr 100-100 cr x s2p2 4s 4 916.05260 125.04951 7.95622 15.16424 0.00000xr99999999 cr x s2p2 5s 41340.18620 125.68961 8.03052 5.11284 0.00000xr99999999 cr x s2p2 6s 41543.83920 125.88331 8.05512 2.42834 0.00000xr99999999 cr x s2p2 7s 41657.77430 125.96321 8.06562 1.36364 0.00000xr99999999 cr x s2p2 8s 41728.05180 126.00291 8.07092 .84754 0.00000xr99999999 cr x s2p2 9s 41774.46380 126.02501 8.07392 .56454 0.00000xr99999999 cr x s2p2 3d 7 387.27940 123.14881 7.62282 .58402 121.86163xr99999999 142.11214 91.42604 cr x s2p2 4d 71141.24650 125.10781 7.95662 .20282 41.77493xr99999999 10.44404 11.13564 cr x s2p2 5d 71443.28540 125.66101 8.02502 .09792 17.96883xr99999999 3.92244 4.46994 cr x s2p2 6d 71599.67780 125.86081 8.05112 .05442 9.35003xr99999999 1.97944 2.29914 cr x s2p2 7d 71691.44850 125.94741 8.06282 .03342 5.50873xr99999999 1.15784 1.35494 cr x s2p2 8d 71749.92580 125.99151 8.06892 .02202 3.52923xr99999999 .74124 .87044 cr x s2p2 5g 71490.99870 125.89911 8.06492 .00612 14.38733xr99999999 2.41584 1.70984 cr x s2p2 6g 71626.53820 125.94011 8.06782 .00352 8.30443xr99999999 2.08364 1.48344 cr x sp4 4 275.18460 123.27371 7.64952 161.92824 0.00000xr99999999 cr x sp3 4p 91269.15360 125.05491 7.95272 2.45432 44.87993xr99999999 163.87644 13.69394 12.68304 14.97244 cr x sp3 5p 91642.38210 125.63801 8.02172 1.10492 18.67403xr99999999 164.45824 4.76144 4.29704 5.46284 cr x sp3 6p 91826.31110 125.82981 8.04602 .59292 9.49123xr99999999 164.65284 2.28894 2.04274 2.67964 cr x sp3 7p 91931.01220 125.91081 8.05672 .35602 5.49443xr99999999 164.73544 1.29614 1.14964 1.53354 cr x sp3 8p 91996.38820 125.95151 8.06212 .23072 3.47273xr99999999 164.77724 .81084 .71654 .96534 cr x sp3 4f 91481.33540 125.12831 7.96382 .03312 53.83773xr99999999 163.96864 28.72064 36.87294 24.55274 cr x sp3 5f 91739.39310 125.70101 8.02612 .01742 22.43303xr99999999 164.52224 12.95574 15.79874 10.83284 cr x sp3 6f 91879.16920 125.86311 8.04802 .01012 11.66053xr99999999 164.68544 6.81844 8.15304 5.67854 cr x sp3 7f 91963.09040 125.92841 8.05762 .00642 6.91483xr99999999 164.75224 4.05744 4.80404 3.37724 s2p2 4s -s2p2 5s 2 0.00005 8.50935 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 6s 2 0.00005 5.66405 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 7s 2 0.00005 4.14635 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 8s 2 0.00005 3.21795 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 9s 2 0.00005 2.59805 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 3d 2 15.80055 17.14265 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 4d 2 41.27275 11.60155 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 5d 2 19.18855 6.36815 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 6d 2 11.41195 4.06415 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 7d 2 7.76185 2.87565 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 8d 2 5.73025 2.17675 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp4 1 20.10745 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 4p 2 74.06675 14.30125 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 5p 2 27.52985 8.32895 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 6p 2 16.12295 5.60695 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 7p 2 11.07715 4.12565 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 8p 2 8.28535 3.21155 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 6s 2 0.00005 3.50225 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 7s 2 0.00005 2.60315 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 8s 2 0.00005 2.03885 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 9s 2 0.00005 1.65585 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 3d 2 6.70025 6.88905 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 4d 2 15.13105 6.46135 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 5d 2 16.92075 3.89205 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 6d 2 10.73195 2.61425 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 7d 2 7.59065 1.91045 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 8d 2 5.75225 1.47805 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp4 1 8.45155 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 4p 2 22.02475 7.92475 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 5p 2 35.50665 4.92755 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 6p 2 17.61565 3.41765 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 7p 2 11.72945 2.55665 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 8p 2 8.67065 2.01065 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 7s 2 0.00005 1.81655 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 8s 2 0.00005 1.42835 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 9s 2 0.00005 1.16295 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 3d 2 3.85605 3.83225 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 4d 2 9.13945 4.27625 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 5d 2 8.79495 2.67365 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 6d 2 8.50685 1.83105 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 7d 2 6.18815 1.35395 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 8d 2 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sp3 9s cr x sp3 6p -.28331( 9s//r1// 6p) .155xr 2 -6 cr x sp3 9s cr x sp3 7p -.72224( 9s//r1// 7p) .208xr 4 -8 cr x sp3 9s cr x sp3 8p -3.08562( 9s//r1// 8p) .470xr 12 -17 cr x sp3 9s cr x sp3 4f 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 9s cr x sp3 5f 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 9s cr x sp3 6f 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 9s cr x sp3 7f 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 3d cr x sp4 -1.08519( 3d//r1// 3p) -.981xr -88 -93 cr x sp3 3d cr x sp3 4p .38078( 3d//r1// 4p) .463xr 4 -8 cr x sp3 3d cr x sp3 5p .11627( 3d//r1// 5p) .244xr 0 -2 cr x sp3 3d cr x sp3 6p .06332( 3d//r1// 6p) .189xr 0 0 cr x sp3 3d cr x sp3 7p .04223( 3d//r1// 7p) .166xr 0 0 cr x sp3 3d cr x sp3 8p .03113( 3d//r1// 8p) .154xr 0 0 cr x sp3 3d cr x sp3 4f -1.19381( 3d//r1// 4f) 1.000xr 61-100 cr x sp3 3d cr x sp3 5f -.51336( 3d//r1// 5f) .768xr 34 -90 cr x sp3 3d cr x sp3 6f -.30688( 3d//r1// 6f) .652xr 22 -84 cr x sp3 3d cr x sp3 7f -.21362( 3d//r1// 7f) .594xr 16 -80 cr x sp3 4d cr x s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 4d cr x sp4 .38093( 4d//r1// 3p) .520xr 8 -17 cr x sp3 4d cr x sp3 4p -2.42305( 4d//r1// 4p) -.998xr -96 -98 cr x sp3 4d cr x sp3 5p .97958( 4d//r1// 5p) .496xr 9 -14 cr x sp3 4d cr x sp3 6p .27974( 4d//r1// 6p) .224xr 2 -6 cr x sp3 4d cr x sp3 7p .14929( 4d//r1// 7p) .164xr 1 -4 cr x sp3 4d cr x sp3 8p .09840( 4d//r1// 8p) .138xr 0 -3 cr x sp3 4d cr x sp3 4f 2.68391( 4d//r1// 4f) -.951xr -79 -86 cr x sp3 4d cr x sp3 5f -1.48814( 4d//r1// 5f) .659xr 26 -45 cr x sp3 4d cr x sp3 6f -.70941( 4d//r1// 6f) .488xr 19 -48 cr x sp3 4d cr x sp3 7f -.44261( 4d//r1// 7f) .407xr 14 -47 cr x sp3 5d cr x s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 5d cr x sp4 .20616( 5d//r1// 3p) .467xr 7 -24 cr x sp3 5d cr x sp3 4p .47503( 5d//r1// 4p) .294xr -3 -6 cr x sp3 5d cr x sp3 5p -4.13931( 5d//r1// 5p) -.999xr -97 -99 cr x sp3 5d cr x sp3 6p 1.74609( 5d//r1// 6p) .507xr 12 -18 cr x sp3 5d cr x sp3 7p .49021( 5d//r1// 7p) .214xr 3 -8 cr x sp3 5d cr x sp3 8p .25857( 5d//r1// 8p) .150xr 2 -5 cr x sp3 5d cr x sp3 4f -.68370( 5d//r1// 4f) .326xr 1 -2 cr x sp3 5d cr x sp3 5f 5.05435( 5d//r1// 5f) -.988xr -90 -94 cr x sp3 5d cr x sp3 6f -1.80784( 5d//r1// 6f) .471xr 12 -20 cr x sp3 5d cr x sp3 7f -.89050( 5d//r1// 7f) .342xr 11 -25 cr x sp3 6d cr x s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 6d cr x sp4 .13571( 6d//r1// 3p) .430xr 5 -26 cr x sp3 6d cr x sp3 4p .27473( 6d//r1// 4p) .261xr 0 -1 cr x sp3 6d cr x sp3 5p .57631( 6d//r1// 5p) .202xr -9 -14 cr x sp3 6d cr x sp3 6p -6.24205( 6d//r1// 6p) -.999xr -97 -99 cr x sp3 6d cr x sp3 7p 2.71190( 6d//r1// 7p) .516xr 14 -20 cr x sp3 6d cr x sp3 8p .75115( 6d//r1// 8p) .207xr 4 -9 cr x sp3 6d cr x sp3 4f -.19454( 6d//r1// 4f) .142xr 0 0 cr x sp3 6d cr x sp3 5f -1.36832( 6d//r1// 5f) .344xr 2 -3 cr x sp3 6d cr x sp3 6f 7.86871( 6d//r1// 6f) -.996xr -94 -97 cr x sp3 6d cr x sp3 7f -2.17833( 6d//r1// 7f) .370xr 5 -7 cr x sp3 7d cr x s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 cr x sp3 7d cr x sp4 .09919( 7d//r1// 3p) .410xr 4 -27 cr x sp3 7d cr x sp3 4p .18585( 7d//r1// 4p) .237xr 1 -4 cr x sp3 7d cr x sp3 5p .34000( 7d//r1// 5p) .174xr -2 -6 cr x sp3 7d cr x sp3 6p .68756( 7d//r1// 6p) .154xr -11 -17 cr x sp3 7d cr x sp3 7p -8.73599( 7d//r1// 7p) -.998xr -97 -99 cr x sp3 7d cr x sp3 8p 3.87926( 7d//r1// 8p) .524xr 16 -22 cr x sp3 7d cr x sp3 4f -.10136( 7d//r1// 4f) .100xr 0 -1 cr x sp3 7d cr x sp3 5f -.39946( 7d//r1// 5f) .147xr 0 0 cr x sp3 7d cr x sp3 6f -2.26069( 7d//r1// 6f) .361xr 3 -4 cr x sp3 7d cr x sp3 7f 11.16361( 7d//r1// 7f) -.998xr -97 -98 cr x p5 cr x s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x sp4 -.80408( 3p//r1// 3s) -.999xr -98 -99 cr x p5 cr x sp3 4p 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x sp3 5p 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x sp3 6p 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x sp3 7p 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x sp3 8p 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x sp3 4f 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x sp3 5f 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x sp3 6f 0.00000( //r1// ) 0.000xr 0 0 cr x p5 cr x sp3 7f 0.00000( //r1// ) 0.000xr 0 0 -99999999.0