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 p i s2p3 3 0.00000 40.99861 .27082 0.00000 0.00000xr99999999 p i s2p2 4p 7 59.20070 45.76261 .32962 .02042 4.78513xr99999999 2.04304 1.71064 p i s2p2 5p 7 68.84070 45.95661 .33192 .00762 1.57623xr99999999 .67814 .59174 p i s2p2 6p 7 72.51420 46.01121 .33262 .00362 .71843xr99999999 .31124 .27654 p i s2p2 7p 7 74.33780 46.03241 .33282 .00202 .38843xr99999999 .16914 .15164 p i s2p2 8p 7 75.37840 46.04241 .33292 .00122 .23393xr99999999 .10214 .09214 p i s2p2 9p 7 76.02870 46.04771 .33302 .00082 .15183xr99999999 .06654 .06024 p i s2p2 4f 7 71.04970 46.05581 .33312 .00002 .45423xr99999999 .01264 .00814 p i s2p2 5f 7 73.54330 46.05611 .33312 .00002 .23593xr99999999 .01094 .00704 p i s2p2 6f 7 74.90240 46.05651 .33312 .00002 .13823xr99999999 .00804 .00524 p i s2p2 7f 7 75.72200 46.05691 .33312 .00002 .08793xr99999999 .00584 .00374 p i s2p2 8f 7 76.25340 46.05711 .33312 .00002 .05943xr99999999 .00434 .00274 p i s2p2 6h 7 74.93470 46.05761 .33312 .00002 .03393xr99999999 .00004 .00004 p i s2p2 7h 7 75.74330 46.05761 .33312 .00002 .02143xr99999999 .00004 .00004 p i sp3 4s 6 125.37240 46.01201 .33712 64.61334 2.33844xr99999999 2.78264 p i sp3 5s 6 141.89910 46.53341 .34232 65.16074 .62694xr99999999 .70364 p i sp3 6s 6 147.20760 46.63691 .34342 65.27304 .25454xr99999999 .28334 p i sp3 7s 6 149.63910 46.67101 .34382 65.31054 .12794xr99999999 .14204 p i sp3 8s 6 150.95810 46.68561 .34392 65.32664 .07324xr99999999 .08124 p i sp3 9s 6 151.75420 46.69291 .34402 65.33474 .04584xr99999999 .05084 p i sp3 3d 9 138.95320 46.25551 .33942 .00032 7.03663xr99999999 64.86464 3.06614 5.79064 3.30414 p i sp3 4d 9 145.89960 46.43021 .34092 .00022 3.79603xr99999999 65.04254 2.27844 3.89284 2.25974 p i sp3 5d 9 148.98680 46.57201 .34252 .00012 1.81753xr99999999 65.19814 1.19454 1.95354 1.14464 p i sp3 6d 9 150.58150 46.63481 .34332 .00012 .95893xr99999999 65.26844 .65424 1.04574 .61594 p i sp3 7d 9 151.51570 46.66401 .34362 .00002 .56053xr99999999 65.30144 .38984 .61454 .36324 p i p5 2 173.92910 .30032 0.00000 0.00000 0.00000xr99999999 s2p3 -s2p2 4p 2 1.44315 6.03775 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 5p 2 .81025 3.34055 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 6p 2 .54235 2.22315 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 7p 2 .39705 1.62275 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 8p 2 .30745 1.25395 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 9p 2 .24735 1.00755 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 4f 1 -.56155 0.00005 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 5f 1 -.52995 0.00005 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 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0.00005xr99999999 sp3 6s -sp3 9s 4 0.00005 .10805 0.00005 .11995 0.00005xr99999999 sp3 6s -sp3 3d 2 -.73275 -.17635 0.00005 0.00005 0.00005xr99999999 sp3 6s -sp3 4d 2 -.61895 -.07925 0.00005 0.00005 0.00005xr99999999 sp3 6s -sp3 5d 2 -.48665 -.03145 0.00005 0.00005 0.00005xr99999999 sp3 6s -sp3 6d 2 -.33545 -.01315 0.00005 0.00005 0.00005xr99999999 sp3 6s -sp3 7d 2 -.24405 -.00555 0.00005 0.00005 0.00005xr99999999 sp3 6s -p5 1 .75245 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 7s -sp3 8s 4 0.00005 .09685 0.00005 .10745 0.00005xr99999999 sp3 7s -sp3 9s 4 0.00005 .07655 0.00005 .08495 0.00005xr99999999 sp3 7s -sp3 3d 2 -.49815 -.12755 0.00005 0.00005 0.00005xr99999999 sp3 7s -sp3 4d 2 -.41745 -.05915 0.00005 0.00005 0.00005xr99999999 sp3 7s -sp3 5d 2 -.30185 -.02465 0.00005 0.00005 0.00005xr99999999 sp3 7s -sp3 6d 2 -.23565 -.01115 0.00005 0.00005 0.00005xr99999999 sp3 7s -sp3 7d 2 -.17585 -.00535 0.00005 0.00005 0.00005xr99999999 sp3 7s -p5 1 .52565 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 8s -sp3 9s 4 0.00005 .05795 0.00005 .06425 0.00005xr99999999 sp3 8s -sp3 3d 2 -.36815 -.09765 0.00005 0.00005 0.00005xr99999999 sp3 8s -sp3 4d 2 -.30795 -.04605 0.00005 0.00005 0.00005xr99999999 sp3 8s -sp3 5d 2 -.22115 -.01975 0.00005 0.00005 0.00005xr99999999 sp3 8s -sp3 6d 2 -.16405 -.00925 0.00005 0.00005 0.00005xr99999999 sp3 8s -sp3 7d 2 -.13145 -.00475 0.00005 0.00005 0.00005xr99999999 sp3 8s -p5 1 .39435 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 9s -sp3 3d 2 -.28665 -.07785 0.00005 0.00005 0.00005xr99999999 sp3 9s -sp3 4d 2 -.23985 -.03705 0.00005 0.00005 0.00005xr99999999 sp3 9s -sp3 5d 2 -.17185 -.01615 0.00005 0.00005 0.00005xr99999999 sp3 9s -sp3 6d 2 -.12685 -.00775 0.00005 0.00005 0.00005xr99999999 sp3 9s -sp3 7d 2 -.09825 -.00405 0.00005 0.00005 0.00005xr99999999 sp3 9s -p5 1 .31015 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 3d -sp3 4d 6 0.00005 2.63935 0.00005 4.56635 4.72915xr99999999 2.71935 sp3 3d -sp3 5d 6 0.00005 1.90785 0.00005 2.94185 3.33415xr99999999 1.92425 sp3 3d -sp3 6d 6 0.00005 1.41025 0.00005 2.04725 2.43135xr99999999 1.40595 sp3 3d -sp3 7d 6 0.00005 1.08765 0.00005 1.52305 1.85985xr99999999 1.07665 sp3 3d -p5 1 17.50165 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 4d -sp3 5d 6 0.00005 1.64925 0.00005 2.52885 2.75505xr99999999 1.60645 sp3 4d -sp3 6d 6 0.00005 1.21995 0.00005 1.79155 2.01315xr99999999 1.17665 sp3 4d -sp3 7d 6 0.00005 .94135 0.00005 1.34685 1.54175xr99999999 .90245 sp3 4d -p5 1 14.56375 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 5d -sp3 6d 6 0.00005 .88395 0.00005 1.29815 1.42895xr99999999 .83935 sp3 5d -sp3 7d 6 0.00005 .68225 0.00005 .98145 1.09495xr99999999 .64425 sp3 5d -p5 1 10.36865 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 6d -sp3 7d 6 0.00005 .50505 0.00005 .72655 .80155xr99999999 .47295 sp3 6d -p5 1 7.60095 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 7d -p5 1 5.83255 0.00005 0.00005 0.00005 0.00005xr99999999 p i s2p3 p i s2p3 -7.56740( 3p//r2// 3p) 1.000xr 100-100 p i s2p3 p i s2p2 4p 5.25498( 3p//r2// 4p) -.817xr 0 0 p i s2p3 p i s2p2 5p 2.30854( 3p//r2// 5p) -.712xr 0 0 p i s2p3 p i s2p2 6p 1.41156( 3p//r2// 6p) -.661xr 0 0 p i s2p3 p i s2p2 7p .98659( 3p//r2// 7p) -.634xr 0 0 p i s2p3 p i s2p2 8p .74254( 3p//r2// 8p) -.619xr 0 0 p i s2p3 p i s2p2 9p .58609( 3p//r2// 9p) -.608xr 0 0 p i s2p3 p i s2p2 4f -2.02280( 3p//r2// 4f)-1.000xr -4-100 p i s2p3 p i s2p2 5f -1.67584( 3p//r2// 5f)-1.000xr -3-100 p i s2p3 p i s2p2 6f -1.34996( 3p//r2// 6f) -.999xr -2-100 p i s2p3 p i s2p2 7f -1.10432( 3p//r2// 7f) -.998xr -2-100 p i s2p3 p i s2p2 8f -.92111( 3p//r2// 8f) -.998xr -2-100 p i s2p3 p i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 p i s2p3 p i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 p i s2p3 p i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 p i s2p3 p i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 p i s2p3 p i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 p i s2p3 p i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 p i s2p3 p i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 p i s2p3 p i sp3 9s 0.00000( //r2// ) 0.000xr 0 0 p i s2p3 p i sp3 3d 2.93576( 3s//r2// 3d) 1.000xr 30 -99 p i s2p3 p i sp3 4d 2.03554( 3s//r2// 4d) .994xr 25 -98 p i s2p3 p i sp3 5d 1.31891( 3s//r2// 5d) .977xr 17 -98 p i s2p3 p i sp3 6d .91551( 3s//r2// 6d) .960xr 12 -98 p i s2p3 p i sp3 7d .67880( 3s//r2// 7d) .947xr 9 -98 p i s2p3 p i p5 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i s2p3 5.25498( 4p//r2// 3p) -.817xr 0 0 p i s2p2 4p p i s2p2 4p -95.23013( 4p//r2// 4p) 1.000xr 100-100 p i s2p2 4p p i s2p2 5p 64.55241( 4p//r2// 5p) -.712xr 0 0 p i s2p2 4p p i s2p2 6p 19.84098( 4p//r2// 6p) -.384xr 0 -1 p i s2p2 4p p i s2p2 7p 10.61748( 4p//r2// 7p) -.293xr 0 -1 p i s2p2 4p p i s2p2 8p 6.97308( 4p//r2// 8p) -.254xr 0 -1 p i s2p2 4p p i s2p2 9p 5.08139( 4p//r2// 9p) -.232xr 0 -2 p i s2p2 4p p i s2p2 4f 128.77545( 4p//r2// 4f) 1.000xr 58-100 p i s2p2 4p p i s2p2 5f 48.70114( 4p//r2// 5f) .697xr 35 -93 p i s2p2 4p p i s2p2 6f 26.69316( 4p//r2// 6f) .543xr 24 -88 p i s2p2 4p p i s2p2 7f 17.45111( 4p//r2// 7f) .465xr 18 -85 p i s2p2 4p p i s2p2 8f 12.60301( 4p//r2// 8f) .420xr 14 -83 p i s2p2 4p p i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 9s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i sp3 7d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 4p p i p5 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i s2p3 2.30854( 5p//r2// 3p) -.712xr 0 0 p i s2p2 5p p i s2p2 4p 64.55241( 5p//r2// 4p) -.712xr 0 0 p i s2p2 5p p i s2p2 5p -395.07160( 5p//r2// 5p) 1.000xr 100-100 p i s2p2 5p p i s2p2 6p 229.14392( 5p//r2// 6p) -.641xr 0 0 p i s2p2 5p p i s2p2 7p 64.64179( 5p//r2// 7p) -.290xr 0 -1 p i s2p2 5p p i s2p2 8p 33.01377( 5p//r2// 8p) -.202xr 0 -1 p i s2p2 5p p i s2p2 9p 21.10019( 5p//r2// 9p) -.165xr 0 -1 p i s2p2 5p p i s2p2 4f -464.54974( 5p//r2// 4f) -.981xr -81 -86 p i s2p2 5p p i s2p2 5f 283.40937( 5p//r2// 5f) .704xr 15 -27 p i s2p2 5p p i s2p2 6f 127.07866( 5p//r2// 6f) .495xr 15 -41 p i s2p2 5p p i s2p2 7f 74.44175( 5p//r2// 7f) .387xr 12 -44 p i s2p2 5p p i s2p2 8f 50.42416( 5p//r2// 8f) .330xr 10 -46 p i s2p2 5p p i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 9s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i sp3 7d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 5p p i p5 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 6p p i s2p3 1.41156( 6p//r2// 3p) -.661xr 0 0 p i s2p2 6p p i s2p2 4p 19.84098( 6p//r2// 4p) -.384xr 0 -1 p i s2p2 6p p i s2p2 5p 229.14392( 6p//r2// 5p) -.641xr 0 0 p i s2p2 6p p i s2p2 6p -1104.74707( 6p//r2// 6p) 1.000xr 100-100 p i s2p2 6p p i s2p2 7p 581.34881( 6p//r2// 7p) -.597xr 0 0 p i s2p2 6p p i s2p2 8p 155.65533( 6p//r2// 8p) -.241xr 0 0 p i s2p2 6p p i s2p2 9p 76.94438( 6p//r2// 9p) -.159xr 0 0 p i s2p2 6p p i s2p2 4f 329.51103( 6p//r2// 4f) .671xr 10 -15 p i s2p2 6p p i s2p2 5f -1401.64555( 6p//r2// 5f) -.998xr -91 -94 p i s2p2 6p p i s2p2 6f 517.96466( 6p//r2// 6f) .482xr -3 -5 p i s2p2 6p p i s2p2 7f 246.43614( 6p//r2// 7f) .339xr 4 -9 p i s2p2 6p p i s2p2 8f 147.92591( 6p//r2// 8f) .265xr 5 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7p -2487.86209( 7p//r2// 7p) 1.000xr 100-100 p i s2p2 7p p i s2p2 8p 1225.74154( 7p//r2// 8p) -.566xr 0 0 p i s2p2 7p p i s2p2 9p 316.15713( 7p//r2// 9p) -.212xr 0 0 p i s2p2 7p p i s2p2 4f 29.20967( 7p//r2// 4f) .092xr 1 -4 p i s2p2 7p p i s2p2 5f 1053.30200( 7p//r2// 5f) .709xr 16 -22 p i s2p2 7p p i s2p2 6f -3169.61986( 7p//r2// 6f) -.999xr -93 -97 p i s2p2 7p p i s2p2 7f 854.19989( 7p//r2// 7f) .356xr -12 -19 p i s2p2 7p p i s2p2 8f 417.55815( 7p//r2// 8f) .248xr -2 -5 p i s2p2 7p p i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 9s 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i sp3 7d 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 7p p i p5 0.00000( //r2// ) 0.000xr 0 0 p i s2p2 8p p i s2p3 .74254( 8p//r2// 3p) -.619xr 0 0 p i s2p2 8p p i s2p2 4p 6.97308( 8p//r2// 4p) -.254xr 0 -1 p i s2p2 8p p i s2p2 5p 33.01377( 8p//r2// 5p) -.202xr 0 -1 p i s2p2 8p p i s2p2 6p 155.65533( 8p//r2// 6p) -.241xr 0 0 p i s2p2 8p p i s2p2 7p 1225.74154( 8p//r2// 7p) -.566xr 0 0 p i s2p2 8p p i s2p2 8p -4873.55512( 8p//r2// 8p) 1.000xr 100-100 p i s2p2 8p p i s2p2 9p 2289.94466( 8p//r2// 9p) -.545xr 0 0 p i s2p2 8p p i s2p2 4f 11.63003( 8p//r2// 4f) .051xr 0 -2 p i s2p2 8p p i s2p2 5f 81.01104( 8p//r2// 5f) .080xr 3 -7 p i s2p2 8p p i s2p2 6f 2472.22963( 8p//r2// 6f) .737xr 21 -28 p i s2p2 8p p i s2p2 7f -6139.39632( 8p//r2// 7f) -.997xr -93 -97 p i s2p2 8p p i s2p2 8f 1315.12595( 8p//r2// 8f) .280xr -17 -26 p i s2p2 8p p i s2p2 6h 0.00000( //r2// ) 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0.000xr 0 0 p i sp3 4d p i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 4d p i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 4d p i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 p i sp3 4d p i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 p i sp3 4d p i sp3 4s 13.18471( 4d//r2// 4s) .419xr -16 -37 p i sp3 4d p i sp3 5s -241.32730( 4d//r2// 5s) -.998xr -85 -96 p i sp3 4d p i sp3 6s 345.66919( 4d//r2// 6s) .901xr 41 -54 p i sp3 4d p i sp3 7s -17.99549( 4d//r2// 7s) -.071xr 9 -19 p i sp3 4d p i sp3 8s -8.53388( 4d//r2// 8s) -.049xr 4 -14 p i sp3 4d p i sp3 9s -5.14511( 4d//r2// 9s) -.039xr 3 -12 p i sp3 4d p i sp3 3d 98.39437( 4d//r2// 3d) -.845xr -7 -11 p i sp3 4d p i sp3 4d -407.49156( 4d//r2// 4d) 1.000xr 100-100 p i sp3 4d p i sp3 5d 289.32173( 4d//r2// 5d) -.727xr -4 -6 p i sp3 4d p i sp3 6d 65.05389( 4d//r2// 6d) -.256xr -3 -7 p i sp3 4d p i sp3 7d 28.64894( 4d//r2// 7d) -.155xr -2 -7 p i sp3 4d p i p5 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p3 1.31891( 5d//r2// 3s) .977xr 17 -98 p i sp3 5d p i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 p i sp3 5d p i sp3 4s 11.14887( 5d//r2// 4s) .546xr -2 -8 p i sp3 5d p i sp3 5s 36.25721( 5d//r2// 5s) .231xr -23 -45 p i sp3 5d p i sp3 6s -710.23531( 5d//r2// 6s) -.990xr -84 -96 p i sp3 5d p i sp3 7s 895.71423( 5d//r2// 7s) .889xr 43 -56 p i sp3 5d p i sp3 8s -19.54694( 5d//r2// 8s) -.028xr 10 -21 p i sp3 5d p i sp3 9s -12.20175( 5d//r2// 9s) -.025xr 5 -15 p i sp3 5d p i sp3 3d 16.24683( 5d//r2// 3d) -.232xr -5 -12 p i sp3 5d p i sp3 4d 289.32173( 5d//r2// 4d) -.727xr -4 -6 p i sp3 5d p i sp3 5d -1153.11154( 5d//r2// 5d) 1.000xr 100-100 p i sp3 5d p i sp3 6d 678.77144( 5d//r2// 6d) -.646xr -2 -3 p i sp3 5d p i sp3 7d 163.50035( 5d//r2// 7d) -.233xr -1 -3 p i sp3 5d p i p5 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p3 .91551( 6d//r2// 3s) .960xr 12 -98 p i sp3 6d p i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 p i sp3 6d p i sp3 4s 8.06317( 6d//r2// 4s) .544xr 1 -5 p i sp3 6d p i sp3 5s 28.91809( 6d//r2// 5s) .276xr -10 -28 p i sp3 6d p i sp3 6s 77.21889( 6d//r2// 6s) .157xr -25 -45 p i sp3 6d p i sp3 7s -1648.34497( 6d//r2// 7s) -.982xr -82 -95 p i sp3 6d p i sp3 8s 1950.78907( 6d//r2// 8s) .885xr 45 -58 p i sp3 6d p i sp3 9s -21.84215( 6d//r2// 9s) -.014xr 12 -22 p i sp3 6d p i sp3 3d 5.52535( 6d//r2// 3d) -.113xr -3 -12 p i sp3 6d p i sp3 4d 65.05389( 6d//r2// 4d) -.256xr -3 -7 p i sp3 6d p i sp3 5d 678.77144( 6d//r2// 5d) -.646xr -2 -3 p i sp3 6d p i sp3 6d -2627.75021( 6d//r2// 6d) 1.000xr 100-100 p i sp3 6d p i sp3 7d 1386.04707( 6d//r2// 7d) -.597xr -1 -1 p i sp3 6d p i p5 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p3 .67880( 7d//r2// 3s) .947xr 9 -98 p i sp3 7d p i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 p i sp3 7d p i sp3 4s 6.04747( 7d//r2// 4s) .529xr 2 -13 p i sp3 7d p i sp3 5s 20.91816( 7d//r2// 5s) .266xr -5 -19 p i sp3 7d p i sp3 6s 59.10966( 7d//r2// 6s) .173xr -13 -31 p i sp3 7d p i sp3 7s 141.59334( 7d//r2// 7s) .118xr -26 -44 p i sp3 7d p i sp3 8s -3290.24346( 7d//r2// 8s) -.974xr -80 -94 p i sp3 7d p i sp3 9s 3756.27643( 7d//r2// 9s) .884xr 47 -60 p i sp3 7d p i sp3 3d 2.57745( 7d//r2// 3d) -.069xr -2 -13 p i sp3 7d p i sp3 4d 28.64894( 7d//r2// 4d) -.155xr -2 -7 p i sp3 7d p i sp3 5d 163.50035( 7d//r2// 5d) -.233xr -1 -3 p i sp3 7d p i sp3 6d 1386.04707( 7d//r2// 6d) -.597xr -1 -1 p i sp3 7d p i sp3 7d -5192.18639( 7d//r2// 7d) 1.000xr 100-100 p i sp3 7d p i p5 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p3 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 9s 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i sp3 7d 0.00000( //r2// ) 0.000xr 0 0 p i p5 p i p5 -6.86007( 3p//r2// 3p) 1.000xr 100-100 p i s2p2 4s 4 49.31030 45.33661 .32582 2.72784 0.00000xr99999999 p i s2p2 5s 4 65.86250 45.88351 .33122 .70464 0.00000xr99999999 p i s2p2 6s 4 71.20020 45.98931 .33242 .28654 0.00000xr99999999 p i s2p2 7s 4 73.64250 46.02361 .33272 .14444 0.00000xr99999999 p i s2p2 8s 4 74.96610 46.03821 .33292 .08284 0.00000xr99999999 p i s2p2 9s 4 75.76450 46.04541 .33302 .05194 0.00000xr99999999 p i s2p2 3d 7 63.50040 45.66161 .32902 .00022 6.16803xr99999999 4.76194 2.70874 p i s2p2 4d 7 70.14560 45.80921 .33032 .00022 3.38873xr99999999 3.34134 1.93134 p i s2p2 5d 7 73.11760 45.92981 .33162 .00012 1.72033xr99999999 1.80284 1.05124 p i s2p2 6d 7 74.66420 45.98751 .33232 .00012 .93933xr99999999 1.00594 .58954 p i s2p2 7d 7 75.57340 46.01571 .33262 .00002 .55933xr99999999 .60464 .35554 p i s2p2 8d 7 76.15390 46.03081 .33282 .00002 .35773xr99999999 .38854 .22894 p i s2p2 5g 7 73.59010 46.05761 .33312 .00002 .10753xr99999999 .00014 .00014 p i s2p2 6g 7 74.93160 46.05761 .33312 .00002 .06223xr99999999 .00014 .00014 p i sp4 4 76.88560 42.05181 .28532 59.86524 0.00000xr99999999 p i sp3 4p 9 134.80390 46.42231 .34082 .02092 4.84903xr99999999 65.03714 2.42554 1.97854 1.68544 p i sp3 5p 9 144.70870 46.60571 .34302 .00782 1.59013xr99999999 65.23784 .83424 .66004 .58444 p i sp3 6p 9 148.44750 46.65871 .34362 .00372 .72243xr99999999 65.29654 .38784 .30294 .27284 p i sp3 7p 9 150.29570 46.67971 .34382 .00212 .38953xr99999999 65.31984 .21184 .16434 .14934 p i sp3 8p 9 151.34760 46.68971 .34402 .00132 .23413xr99999999 65.33104 .12834 .09914 .09064 p i sp3 4f 9 147.03320 46.70301 .34412 .00002 .44293xr99999999 65.34624 .00294 .01184 .00764 p i sp3 5f 9 149.52710 46.70331 .34412 .00002 .23073xr99999999 65.34654 .00274 .01034 .00674 p i sp3 6f 9 150.88700 46.70381 .34422 .00002 .13543xr99999999 65.34704 .00204 .00774 .00494 p i sp3 7f 9 151.70700 46.70421 .34422 .00002 .08633xr99999999 65.34734 .00154 .00564 .00364 s2p2 4s -s2p2 5s 2 0.00005 1.37125 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 6s 2 0.00005 .86845 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 7s 2 0.00005 .61425 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 8s 2 0.00005 .46425 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 9s 2 0.00005 .36685 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 3d 2 -4.33015 -.51825 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 4d 2 -2.23795 -.21865 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 5d 2 -1.20815 -.07905 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 6d 2 -.73015 -.02555 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 7d 2 -.48615 -.00425 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 8d 2 -.34775 .00485 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp4 1 2.10295 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 4p 2 10.89705 1.55725 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 5p 2 5.35695 .96495 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 6p 2 3.45975 .67145 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 7p 2 2.49035 .50125 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 8p 2 1.90825 .39245 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 6s 2 0.00005 .44905 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 7s 2 0.00005 .31845 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 8s 2 0.00005 .24105 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 9s 2 0.00005 .19065 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 3d 2 -1.21345 -.27875 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 4d 2 -1.23935 -.13645 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 5d 2 -.79645 -.06265 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 6d 2 -.53625 -.03125 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 7d 2 -.38605 -.01695 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 8d 2 -.29325 -.00975 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp4 1 1.04965 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 4p 2 2.04875 .77795 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 5p 2 3.36575 .48455 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 6p 2 2.11485 .33785 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 7p 2 1.51685 .25255 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 8p 2 1.16205 .19785 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 7s 2 0.00005 .20345 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 8s 2 0.00005 .15405 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 9s 2 0.00005 .12185 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 3d 2 -.70885 -.18365 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 4d 2 -.61485 -.09445 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 5d 2 -.50295 -.04625 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 6d 2 -.35785 -.02485 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 7d 2 -.26535 -.01475 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 8d 2 -.20545 -.00945 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp4 1 .65445 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp3 4p 2 1.15495 .48975 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp3 5p 2 1.03375 .30565 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp3 6p 2 1.44105 .21325 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp3 7p 2 1.01925 .15945 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp3 8p 2 .78015 .12495 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 8s 2 0.00005 .10935 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 9s 2 0.00005 .08655 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 3d 2 -.48235 -.13265 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 4d 2 -.41515 -.06975 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 5d 2 -.31185 -.03505 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 6d 2 -.24895 -.01945 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 7d 2 -.18915 -.01195 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 8d 2 -.14845 -.00795 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp4 1 .45835 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp3 4p 2 .77095 .34515 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp3 5p 2 .66775 .21565 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp3 6p 2 .57785 .15055 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp3 7p 2 .74265 .11255 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp3 8p 2 .56335 .08825 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 9s 2 0.00005 .06555 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 3d 2 -.35655 -.10155 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 4d 2 -.30635 -.05405 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 5d 2 -.22865 -.02755 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 6d 2 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sp3 3d p i sp3 8p -.45823( 3d//r1// 8p) -.150xr 0 -3 p i sp3 3d p i sp3 4f -13.21819( 3d//r1// 4f) 1.000xr 60-100 p i sp3 3d p i sp3 5f -5.48800( 3d//r1// 5f) .725xr 33 -88 p i sp3 3d p i sp3 6f -3.27806( 3d//r1// 6f) .608xr 22 -81 p i sp3 3d p i sp3 7f -2.27833( 3d//r1// 7f) .550xr 16 -77 p i sp3 4d p i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 p i sp3 4d p i sp4 -1.36517( 4d//r1// 3p) -.974xr -31 -98 p i sp3 4d p i sp3 4p -4.80056( 4d//r1// 4p) -.593xr -13 -25 p i sp3 4d p i sp3 5p 24.18284( 4d//r1// 5p) .996xr 94 -96 p i sp3 4d p i sp3 6p -8.03572( 4d//r1// 6p) -.425xr -4 -6 p i sp3 4d p i sp3 7p -2.44216( 4d//r1// 7p) -.202xr 0 -1 p i sp3 4d p i sp3 8p -1.31939( 4d//r1// 8p) -.148xr 0 0 p i sp3 4d p i sp3 4f 28.46260( 4d//r1// 4f) -.970xr -83 -91 p i sp3 4d p i sp3 5f -10.11349( 4d//r1// 5f) .485xr 12 -21 p i sp3 4d p i sp3 6f -5.63993( 4d//r1// 6f) .412xr 11 -31 p i sp3 4d p i sp3 7f -3.75731( 4d//r1// 7f) .364xr 9 -33 p i sp3 5d p i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 p i sp3 5d p i sp4 -.85330( 5d//r1// 3p) -.929xr -21 -97 p i sp3 5d p i sp3 4p -2.79754( 5d//r1// 4p) -.553xr -14 -43 p i sp3 5d p i sp3 5p -8.70149( 5d//r1// 5p) -.492xr -10 -16 p i sp3 5d p i sp3 6p 41.15817( 5d//r1// 6p) .998xr 96 -98 p i sp3 5d p i sp3 7p -11.57946( 5d//r1// 7p) -.364xr -1 -2 p i sp3 5d p i sp3 8p -3.74978( 5d//r1// 8p) -.175xr 0 0 p i sp3 5d p i sp3 4f -11.86359( 5d//r1// 4f) .484xr 11 -17 p i sp3 5d p i sp3 5f 51.07350( 5d//r1// 5f) -.995xr -93 -97 p i sp3 5d p i sp3 6f -6.83476( 5d//r1// 6f) .195xr -7 -13 p i sp3 5d p i sp3 7f -4.76855( 5d//r1// 7f) .197xr 0 -1 p i sp3 6d p i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 p i sp3 6d p i sp4 -.58076( 6d//r1// 3p) -.894xr -14 -96 p i sp3 6d p i sp3 4p -1.80705( 6d//r1// 4p) -.495xr -11 -47 p i sp3 6d p i sp3 5p -4.44515( 6d//r1// 5p) -.388xr -10 -26 p i sp3 6d p i sp3 6p -13.32320( 6d//r1// 6p) -.433xr -7 -11 p i sp3 6d p i sp3 7p 62.40974( 6d//r1// 7p) .999xr 97 -99 p i sp3 6d p i sp3 8p -16.27805( 6d//r1// 8p) -.336xr 0 0 p i sp3 6d p i sp3 4f -2.79708( 6d//r1// 4f) .174xr 3 -8 p i sp3 6d p i sp3 5f -25.75382( 6d//r1// 5f) .570xr 19 -26 p i sp3 6d p i sp3 6f 76.36737( 6d//r1// 6f) -.996xr -93 -98 p i sp3 6d p i sp3 7f -3.82229( 6d//r1// 7f) .071xr -16 -24 p i sp3 7d p i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 p i sp3 7d p i sp4 -.42545( 7d//r1// 3p) -.868xr -11 -95 p i sp3 7d p i sp3 4p -1.28595( 7d//r1// 4p) -.458xr -9 -48 p i sp3 7d p i sp3 5p -2.82688( 7d//r1// 5p) -.331xr -8 -28 p i sp3 7d p i sp3 6p -6.32917( 7d//r1// 6p) -.306xr -7 -17 p i sp3 7d p i sp3 7p -18.64124( 7d//r1// 7p) -.395xr -5 -8 p i sp3 7d p i sp3 8p 87.91999( 7d//r1// 8p) .999xr 98 -99 p i sp3 7d p i sp3 4f -1.37699( 7d//r1// 4f) .116xr 1 -6 p i sp3 7d p i sp3 5f -5.66110( 7d//r1// 5f) .186xr 5 -12 p i sp3 7d p i sp3 6f -43.22022( 7d//r1// 6f) .622xr 25 -33 p i sp3 7d p i sp3 7f 105.23041( 7d//r1// 7f) -.992xr -92 -98 p i p5 p i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i sp4 -1.96527( 3p//r1// 3s)-1.000xr -96-100 p i p5 p i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i sp3 8p 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 p i p5 p i sp3 7f 0.00000( //r1// ) 0.000xr 0 0 -99999999.0