1 72626724240 1 3 1000 7 s 2 p 4 p 0 f 0 h 0 s 0 d 0 s 2 p 3 p 1 f 0 h 0 s 0 d 0 s 2 p 3 p 1 f 0 h 0 s 0 d 0 s 2 p 3 p 1 f 0 h 0 s 0 d 0 s 2 p 3 p 1 f 0 h 0 s 0 d 0 s 2 p 3 p 1 f 0 h 0 s 0 d 0 s 2 p 3 p 1 f 0 h 0 s 0 d 0 s 2 p 3 p 0 f 1 h 0 s 0 d 0 s 2 p 3 p 0 f 1 h 0 s 0 d 0 s 2 p 3 p 0 f 1 h 0 s 0 d 0 s 2 p 3 p 0 f 1 h 0 s 0 d 0 s 2 p 3 p 0 f 1 h 0 s 0 d 0 s 2 p 3 p 0 f 0 h 1 s 0 d 0 s 2 p 3 p 0 f 0 h 1 s 0 d 0 s 1 p 4 p 0 f 0 h 0 s 1 d 0 s 1 p 4 p 0 f 0 h 0 s 1 d 0 s 1 p 4 p 0 f 0 h 0 s 1 d 0 s 1 p 4 p 0 f 0 h 0 s 1 d 0 s 1 p 4 p 0 f 0 h 0 s 1 d 0 s 1 p 4 p 0 f 0 h 0 s 1 d 0 s 1 p 4 p 0 f 0 h 0 s 0 d 1 s 1 p 4 p 0 f 0 h 0 s 0 d 1 s 1 p 4 p 0 f 0 h 0 s 0 d 1 s 1 p 4 p 0 f 0 h 0 s 0 d 1 s 1 p 4 p 0 f 0 h 0 s 0 d 1 s 1 p 4 p 0 f 0 h 0 s 0 d 1 s 2 p 3 s 1 d 0 g 0 p 0 f 0 s 2 p 3 s 1 d 0 g 0 p 0 f 0 s 2 p 3 s 1 d 0 g 0 p 0 f 0 s 2 p 3 s 1 d 0 g 0 p 0 f 0 s 2 p 3 s 1 d 0 g 0 p 0 f 0 s 2 p 3 s 1 d 0 g 0 p 0 f 0 s 2 p 3 s 0 d 1 g 0 p 0 f 0 s 2 p 3 s 0 d 1 g 0 p 0 f 0 s 2 p 3 s 0 d 1 g 0 p 0 f 0 s 2 p 3 s 0 d 1 g 0 p 0 f 0 s 2 p 3 s 0 d 1 g 0 p 0 f 0 s 2 p 3 s 0 d 1 g 0 p 0 f 0 s 2 p 3 s 0 d 0 g 1 p 0 f 0 s 2 p 3 s 0 d 0 g 1 p 0 f 0 s 1 p 5 s 0 d 0 g 0 p 0 f 0 s 1 p 4 s 0 d 0 g 0 p 1 f 0 s 1 p 4 s 0 d 0 g 0 p 1 f 0 s 1 p 4 s 0 d 0 g 0 p 1 f 0 s 1 p 4 s 0 d 0 g 0 p 1 f 0 s 1 p 4 s 0 d 0 g 0 p 1 f 0 s 1 p 4 s 0 d 0 g 0 p 0 f 1 s 1 p 4 s 0 d 0 g 0 p 0 f 1 s 1 p 4 s 0 d 0 g 0 p 0 f 1 s 1 p 4 s 0 d 0 g 0 p 0 f 1 ca v s2p4 3 0.00000 86.02481 2.37602 0.00000 0.00000xr99999999 ca v s2p3 4p 7 411.35570 88.47571 2.53752 .57022 25.06273xr99999999 7.55694 8.49794 ca v s2p3 5p 7 536.29080 88.98781 2.56312 .23772 9.54273xr99999999 2.51894 3.01234 ca v s2p3 6p 7 593.26480 89.14881 2.57152 .12142 4.62213xr99999999 1.17034 1.43754 ca v s2p3 7p 7 624.39420 89.21471 2.57502 .07042 2.59593xr99999999 .64614 .80514 ca v s2p3 8p 7 643.30980 89.24681 2.57682 .04452 1.60693xr99999999 .39664 .49854 ca v s2p3 9p 7 655.67330 89.26451 2.57772 .02992 1.06543xr99999999 .26174 .33084 ca v s2p3 4f 7 519.33370 88.88921 2.56282 .00232 17.18383xr99999999 7.61504 4.99494 ca v s2p3 5f 7 584.02350 89.07401 2.56942 .00132 8.56213xr99999999 4.84094 3.21534 ca v s2p3 6f 7 618.77460 89.17631 2.57382 .00082 4.69553xr99999999 2.87064 1.91974 ca v s2p3 7f 7 639.65440 89.22591 2.57612 .00052 2.83343xr99999999 1.79564 1.20574 ca v s2p3 8f 7 653.17220 89.25201 2.57732 .00032 1.84093xr99999999 1.19014 .80134 ca v s2p3 6h 7 620.60310 89.29851 2.57972 .00022 1.12423xr99999999 .00414 .00314 ca v s2p3 7h 7 640.83150 89.29831 2.57972 .00012 .70943xr99999999 .00524 .00394 ca v sp4 4s 6 548.26220 88.43301 2.53952 119.11504 7.39654xr99999999 9.30374 ca v sp4 5s 6 701.41360 89.07161 2.57012 119.75424 2.28014xr99999999 2.88824 ca v sp4 6s 6 768.35530 89.24121 2.57902 119.92904 1.02694xr99999999 1.31254 ca v sp4 7s 6 803.88340 89.30671 2.58252 119.99724 .55714xr99999999 .71594 ca v sp4 8s 6 825.04280 89.33791 2.58422 120.02984 .33784xr99999999 .43564 ca v sp4 9s 6 838.67080 89.35471 2.58512 120.04744 .22094xr99999999 .28554 ca v sp4 3d 9 429.38880 86.37651 2.39892 .10972 80.84253xr99999999 116.80444 77.81424 99.78224 61.81794 ca v sp4 4d 9 666.77850 88.75491 2.55092 .02952 19.99003xr99999999 119.41754 7.73594 7.90534 6.72654 ca v sp4 5d 9 752.15800 89.09651 2.57052 .01402 8.46123xr99999999 119.77584 2.88744 2.85984 2.65644 ca v sp4 6d 9 794.83460 89.23301 2.57822 .00772 4.36973xr99999999 119.91874 1.42014 1.38894 1.34274 ca v sp4 7d 9 819.45880 89.29581 2.58172 .00472 2.55363xr99999999 119.98494 .81004 .78704 .77754 ca v sp4 8d 9 834.98080 89.32851 2.58362 .00302 1.62433xr99999999 120.01944 .50824 .49184 .49234 s2p4 -s2p3 4p 2 3.23005 14.55215 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 5p 2 1.65895 6.84145 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 6p 2 1.06495 4.17665 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 7p 2 .76435 2.90685 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 8p 2 .58605 2.18445 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 9p 2 .46925 1.72525 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 4f 1 -22.56395 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 5f 1 -18.65035 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 6f 1 -14.58375 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 7f 1 -11.62495 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 8f 1 -9.50775 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 -sp4 4s 3 6.38605 11.28175 2.00695 0.00005 0.00005xr99999999 s2p4 -sp4 5s 3 3.25555 4.95015 .89905 0.00005 0.00005xr99999999 s2p4 -sp4 6s 3 2.09575 2.94815 .53975 0.00005 0.00005xr99999999 s2p4 -sp4 7s 3 1.50845 2.02775 .37295 0.00005 0.00005xr99999999 s2p4 -sp4 8s 3 1.15845 1.51325 .27905 0.00005 0.00005xr99999999 s2p4 -sp4 9s 3 .92825 1.18955 .21975 0.00005 0.00005xr99999999 s2p4 -sp4 3d 2 106.21165 80.36325 0.00005 0.00005 0.00005xr99999999 s2p4 -sp4 4d 2 23.27815 20.45985 0.00005 0.00005 0.00005xr99999999 s2p4 -sp4 5d 2 11.60325 10.61475 0.00005 0.00005 0.00005xr99999999 s2p4 -sp4 6d 2 7.19065 6.71035 0.00005 0.00005 0.00005xr99999999 s2p4 -sp4 7d 2 5.01555 4.73605 0.00005 0.00005 0.00005xr99999999 s2p4 -sp4 8d 2 3.76515 3.58255 0.00005 0.00005 0.00005xr99999999 s2p3 4p -s2p3 5p 4 0.00005 11.24655 4.32005 4.95505 0.00005xr99999999 s2p3 4p -s2p3 6p 4 0.00005 7.01895 2.91475 3.35105 0.00005xr99999999 s2p3 4p -s2p3 7p 4 0.00005 4.98195 2.15095 2.47235 0.00005xr99999999 s2p3 4p -s2p3 8p 4 0.00005 3.79815 1.67755 1.92695 0.00005xr99999999 s2p3 4p -s2p3 9p 4 0.00005 3.03135 1.35855 1.55955 0.00005xr99999999 s2p3 4p -s2p3 4f 2 11.60715 -.59935 0.00005 0.00005 0.00005xr99999999 s2p3 4p -s2p3 5f 2 4.93325 -.97115 0.00005 0.00005 0.00005xr99999999 s2p3 4p -s2p3 6f 2 2.39885 -.95515 0.00005 0.00005 0.00005xr99999999 s2p3 4p -s2p3 7f 2 1.31415 -.85215 0.00005 0.00005 0.00005xr99999999 s2p3 4p -s2p3 8f 2 .78655 -.74395 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 4s 2 44.33675 7.37165 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 5s 2 11.78845 4.00875 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 6s 2 6.77815 2.65095 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 7s 2 4.64375 1.93515 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 8s 2 3.47165 1.49855 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 9s 2 2.73665 1.20725 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 3d 2 10.68425 13.12445 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 4d 2 36.04885 7.11775 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 5d 2 17.91005 4.56035 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 6d 2 11.47235 3.21905 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 7d 2 8.22565 2.42845 0.00005 0.00005 0.00005xr99999999 s2p3 4p -sp4 8d 2 6.30405 1.91865 0.00005 0.00005 0.00005xr99999999 s2p3 5p -s2p3 6p 4 0.00005 5.72405 1.71385 2.07335 0.00005xr99999999 s2p3 5p -s2p3 7p 4 0.00005 4.04705 1.27035 1.54395 0.00005xr99999999 s2p3 5p -s2p3 8p 4 0.00005 3.08385 .99335 1.21015 0.00005xr99999999 s2p3 5p -s2p3 9p 4 0.00005 2.46165 .80575 .98295 0.00005xr99999999 s2p3 5p -s2p3 4f 2 3.34835 .21695 0.00005 0.00005 0.00005xr99999999 s2p3 5p -s2p3 5f 2 4.45615 -.07465 0.00005 0.00005 0.00005xr99999999 s2p3 5p -s2p3 6f 2 2.92265 -.16645 0.00005 0.00005 0.00005xr99999999 s2p3 5p -s2p3 7f 2 2.02025 -.18375 0.00005 0.00005 0.00005xr99999999 s2p3 5p -s2p3 8f 2 1.48705 -.17695 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 4s 2 18.59635 4.26465 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 5s 2 18.95445 2.36485 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 6s 2 7.22275 1.57625 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 7s 2 4.68905 1.15525 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 8s 2 3.42875 .89665 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 9s 2 2.67115 .72345 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 3d 2 5.30895 6.04615 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 4d 2 8.87665 3.91295 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 5d 2 15.80555 2.61055 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 6d 2 9.79265 1.87855 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 7d 2 6.99285 1.43265 0.00005 0.00005 0.00005xr99999999 s2p3 5p -sp4 8d 2 5.35685 1.13965 0.00005 0.00005 0.00005xr99999999 s2p3 6p -s2p3 7p 4 0.00005 3.18985 .86915 1.07475 0.00005xr99999999 s2p3 6p -s2p3 8p 4 0.00005 2.42235 .68045 .84435 0.00005xr99999999 s2p3 6p -s2p3 9p 4 0.00005 1.93165 .55235 .68685 0.00005xr99999999 s2p3 6p -s2p3 4f 2 2.07885 .30125 0.00005 0.00005 0.00005xr99999999 s2p3 6p -s2p3 5f 2 2.03325 .08495 0.00005 0.00005 0.00005xr99999999 s2p3 6p -s2p3 6f 2 2.14615 -.00455 0.00005 0.00005 0.00005xr99999999 s2p3 6p -s2p3 7f 2 1.62985 -.03725 0.00005 0.00005 0.00005xr99999999 s2p3 6p -s2p3 8f 2 1.26075 -.04815 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 4s 2 11.42615 2.89315 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 5s 2 10.28695 1.61785 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 6s 2 9.73085 1.08215 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 7s 2 4.52375 .79455 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 8s 2 3.16365 .61735 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 9s 2 2.41845 .49835 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 3d 2 3.33965 3.64555 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 4d 2 5.31935 2.57935 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 5d 2 5.56125 1.75225 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 6d 2 8.24035 1.27145 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 7d 2 5.71475 .97415 0.00005 0.00005 0.00005xr99999999 s2p3 6p -sp4 8d 2 4.35365 .77725 0.00005 0.00005 0.00005xr99999999 s2p3 7p -s2p3 8p 4 0.00005 1.94165 .50615 .63335 0.00005xr99999999 s2p3 7p -s2p3 9p 4 0.00005 1.54465 .41105 .51565 0.00005xr99999999 s2p3 7p -s2p3 4f 2 1.47695 .28215 0.00005 0.00005 0.00005xr99999999 s2p3 7p -s2p3 5f 2 1.41995 .11525 0.00005 0.00005 0.00005xr99999999 s2p3 7p -s2p3 6f 2 1.23165 .03885 0.00005 0.00005 0.00005xr99999999 s2p3 7p -s2p3 7f 2 1.19995 .00645 0.00005 0.00005 0.00005xr99999999 s2p3 7p -s2p3 8f 2 .97625 -.00765 0.00005 0.00005 0.00005xr99999999 s2p3 7p -sp4 4s 2 8.06255 2.14135 0.00005 0.00005 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0.00000( //r2// ) 0.000xr 0 0 ca v sp4 8d ca v s2p3 9p 0.00000( //r2// ) 0.000xr 0 0 ca v sp4 8d ca v s2p3 4f 0.00000( //r2// ) 0.000xr 0 0 ca v sp4 8d ca v s2p3 5f 0.00000( //r2// ) 0.000xr 0 0 ca v sp4 8d ca v s2p3 6f 0.00000( //r2// ) 0.000xr 0 0 ca v sp4 8d ca v s2p3 7f 0.00000( //r2// ) 0.000xr 0 0 ca v sp4 8d ca v s2p3 8f 0.00000( //r2// ) 0.000xr 0 0 ca v sp4 8d ca v s2p3 6h 0.00000( //r2// ) 0.000xr 0 0 ca v sp4 8d ca v s2p3 7h 0.00000( //r2// ) 0.000xr 0 0 ca v sp4 8d ca v sp4 4s -.36281( 8d//r2// 4s) -.190xr 6 -31 ca v sp4 8d ca v sp4 5s -.81453( 8d//r2// 5s) -.093xr 11 -36 ca v sp4 8d ca v sp4 6s -1.40601( 8d//r2// 6s) -.048xr 16 -39 ca v sp4 8d ca v sp4 7s 1.47742( 8d//r2// 7s) .017xr 27 -47 ca v sp4 8d ca v sp4 8s 204.98442( 8d//r2// 8s) .932xr 66 -84 ca v sp4 8d ca v sp4 9s -282.00818( 8d//r2// 9s) -.935xr -62 -76 ca v sp4 8d ca v sp4 3d .15909( 8d//r2// 3d) -.287xr 0 -1 ca v sp4 8d ca v sp4 4d .75694( 8d//r2// 4d) -.162xr 0 0 ca v sp4 8d ca v sp4 5d 3.01146( 8d//r2// 5d) 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2.55673xr99999999 .79394 .78184 ca v s2p3 8d 7 649.46390 89.24001 2.57632 .00302 1.62713xr99999999 .49624 .49524 ca v s2p3 5g 7 586.39950 89.26971 2.57882 .00052 3.62613xr99999999 .20174 .14184 ca v s2p3 6g 7 620.20850 89.27231 2.57882 .00032 2.14113xr99999999 .20104 .14174 ca v sp5 3 193.78450 2.38662 116.56664 0.00000 0.00000xr99999999 ca v sp4 4p 9 595.84220 88.58041 2.54572 .57322 25.14163xr99999999 119.25854 8.79604 7.56674 8.51714 ca v sp4 5p 9 721.46860 89.08231 2.57072 .23812 9.54563xr99999999 119.76544 2.99074 2.51354 3.00854 ca v sp4 6p 9 778.65140 89.23971 2.57892 .12142 4.61893xr99999999 119.92764 1.40204 1.16664 1.43424 ca v sp4 7p 9 809.86620 89.30391 2.58242 .07042 2.59333xr99999999 119.99444 .77814 .64394 .80304 ca v sp4 8p 9 828.82370 89.33531 2.58412 .04452 1.60513xr99999999 120.02724 .47924 .39524 .49724 ca v sp4 4f 9 704.54380 88.98501 2.57042 .00242 17.30283xr99999999 119.69684 5.07954 7.70524 5.05474 ca v sp4 5f 9 769.40250 89.16611 2.57692 .00132 8.60083xr99999999 119.86394 3.41004 4.87834 3.24064 ca v sp4 6f 9 804.23480 89.26641 2.58122 .00082 4.70523xr99999999 119.96094 2.07114 2.88304 1.92834 ca v sp4 7f 9 825.15930 89.31491 2.58342 .00052 2.83613xr99999999 120.00884 1.31304 1.80054 1.20924 s2p3 4s -s2p3 5s 2 0.00005 5.05515 0.00005 0.00005 0.00005xr99999999 s2p3 4s -s2p3 6s 2 0.00005 3.33375 0.00005 0.00005 0.00005xr99999999 s2p3 4s -s2p3 7s 2 0.00005 2.42825 0.00005 0.00005 0.00005xr99999999 s2p3 4s -s2p3 8s 2 0.00005 1.87755 0.00005 0.00005 0.00005xr99999999 s2p3 4s -s2p3 9s 2 0.00005 1.51095 0.00005 0.00005 0.00005xr99999999 s2p3 4s -s2p3 3d 2 4.73135 7.92745 0.00005 0.00005 0.00005xr99999999 s2p3 4s -s2p3 4d 2 20.90955 6.86775 0.00005 0.00005 0.00005xr99999999 s2p3 4s -s2p3 5d 2 12.85435 4.57575 0.00005 0.00005 0.00005xr99999999 s2p3 4s -s2p3 6d 2 8.88115 3.28155 0.00005 0.00005 0.00005xr99999999 s2p3 4s -s2p3 7d 2 6.61725 2.49655 0.00005 0.00005 0.00005xr99999999 s2p3 4s -s2p3 8d 2 5.18755 1.98255 0.00005 0.00005 0.00005xr99999999 s2p3 4s -sp5 1 11.44855 0.00005 0.00005 0.00005 0.00005xr99999999 s2p3 4s -sp4 4p 2 44.41285 8.36315 0.00005 0.00005 0.00005xr99999999 s2p3 4s -sp4 5p 2 18.48315 5.05565 0.00005 0.00005 0.00005xr99999999 s2p3 4s -sp4 6p 2 11.33585 3.47505 0.00005 0.00005 0.00005xr99999999 s2p3 4s -sp4 7p 2 7.99365 2.58705 0.00005 0.00005 0.00005xr99999999 s2p3 4s -sp4 8p 2 6.07535 2.02765 0.00005 0.00005 0.00005xr99999999 s2p3 5s -s2p3 6s 2 0.00005 1.94355 0.00005 0.00005 0.00005xr99999999 s2p3 5s -s2p3 7s 2 0.00005 1.42895 0.00005 0.00005 0.00005xr99999999 s2p3 5s -s2p3 8s 2 0.00005 1.11075 0.00005 0.00005 0.00005xr99999999 s2p3 5s -s2p3 9s 2 0.00005 .89695 0.00005 0.00005 0.00005xr99999999 s2p3 5s -s2p3 3d 2 1.79775 3.14155 0.00005 0.00005 0.00005xr99999999 s2p3 5s -s2p3 4d 2 5.77105 3.44175 0.00005 0.00005 0.00005xr99999999 s2p3 5s -s2p3 5d 2 7.49305 2.39475 0.00005 0.00005 0.00005xr99999999 s2p3 5s -s2p3 6d 2 5.60145 1.75215 0.00005 0.00005 0.00005xr99999999 s2p3 5s -s2p3 7d 2 4.31205 1.34795 0.00005 0.00005 0.00005xr99999999 s2p3 5s -s2p3 8d 2 3.44045 1.07785 0.00005 0.00005 0.00005xr99999999 s2p3 5s -sp5 1 5.02695 0.00005 0.00005 0.00005 0.00005xr99999999 s2p3 5s -sp4 4p 2 11.98225 4.43385 0.00005 0.00005 0.00005xr99999999 s2p3 5s -sp4 5p 2 19.00705 2.77955 0.00005 0.00005 0.00005xr99999999 s2p3 5s -sp4 6p 2 10.26455 1.93985 0.00005 0.00005 0.00005xr99999999 s2p3 5s -sp4 7p 2 7.03675 1.45575 0.00005 0.00005 0.00005xr99999999 s2p3 5s -sp4 8p 2 5.28435 1.14645 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 7s 2 0.00005 .97035 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 8s 2 0.00005 .75585 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 9s 2 0.00005 .61115 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 3d 2 .95535 1.75505 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 4d 2 3.37365 2.18925 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 5d 2 3.39695 1.55115 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 6d 2 3.54135 1.14425 0.00005 0.00005 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