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 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 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 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 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 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 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 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 te i s2p4 3 0.00000 38.54321 4.25462 0.00000 0.00000xr99999999 te i s2p3 6p 7 59.99790 41.81981 4.97622 .31022 4.85213xr99999999 1.56234 1.48274 te i s2p3 7p 7 69.31390 41.98821 5.00762 .11652 1.60163xr99999999 .53074 .51994 te i s2p3 8p 7 72.87000 42.03861 5.01712 .05632 .73053xr99999999 .24594 .24434 te i s2p3 9p 7 74.64280 42.05861 5.02092 .03142 .39523xr99999999 .13424 .13444 te i s2p3 10p 7 75.65910 42.06811 5.02282 .01932 .23813xr99999999 .08134 .08184 te i s2p3 4f 7 71.24670 42.07701 5.02502 .00012 .60813xr99999999 .02744 .01764 te i s2p3 5f 7 73.75550 42.07791 5.02502 .00002 .32363xr99999999 .02514 .01624 te i s2p3 6f 7 75.12490 42.07921 5.02522 .00002 .19313xr99999999 .01924 .01234 te i s2p3 7f 7 75.95080 42.08021 5.02532 .00002 .12453xr99999999 .01424 .00914 te i s2p3 8f 7 76.48680 42.08081 5.02542 .00002 .08503xr99999999 .01064 .00684 te i s2p3 9f 7 76.85350 42.08131 5.02552 .00002 .06063xr99999999 .00804 .00524 te i s2p3 10f 7 77.11580 42.08161 5.02552 .00002 .04473xr99999999 .00624 .00404 te i s2p3 6h 7 75.17390 42.08271 5.02572 .00002 .04443xr99999999 .00004 .00004 te i s2p3 7h 7 75.98370 42.08271 5.02572 .00002 .02803xr99999999 .00004 .00004 te i s2p3 8h 7 76.50890 42.08271 5.02572 .00002 .01873xr99999999 .00004 .00004 te i s2p3 9h 7 76.86950 42.08271 5.02572 .00002 .01323xr99999999 .00004 .00004 te i sp4 6s 6 135.72460 42.04341 5.11472 55.86024 1.93524xr99999999 2.78054 te i sp4 7s 6 151.86260 42.55471 5.20062 56.40244 .48784xr99999999 .63024 te i sp4 8s 6 156.99910 42.65041 5.21812 56.50694 .19534xr99999999 .24784 te i sp4 9s 6 159.36490 42.68121 5.22392 56.54104 .09794xr99999999 .12344 te i sp4 5d 9 147.25400 42.15871 5.13422 .04042 9.41183xr99999999 55.97324 2.98504 7.25964 4.37264 te i sp4 6d 9 155.24050 42.51911 5.19382 .01742 3.16463xr99999999 56.35984 1.21424 2.70554 1.65944 te i sp4 7d 9 158.50040 42.63021 5.21402 .00812 1.35613xr99999999 56.48284 .55234 1.18694 .73374 te i sp4 8d 9 160.16350 42.66981 5.22162 .00442 .70363xr99999999 56.52724 .29464 .62134 .38574 te i sp4 9d 9 161.12980 42.68731 5.22502 .00262 .41243xr99999999 56.54704 .17534 .36574 .22764 s2p4 -s2p3 6p 2 1.20015 5.38225 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 7p 2 .68405 3.02215 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 8p 2 .46095 2.02495 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 9p 2 .33865 1.48375 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 10p 2 .26275 1.14935 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 4f 1 -.88035 0.00005 0.00005 0.00005 0.00005xr99999999 s2p4 -s2p3 5f 1 -.85775 0.00005 0.00005 0.00005 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3 -9 te i s2p3 9f te i s2p3 10p 795.07190( 9f//r2//10p) .223xr -2 -4 te i s2p3 9f te i s2p3 4f 14.43064( 9f//r2// 4f) -.099xr 0 0 te i s2p3 9f te i s2p3 5f 57.43605( 9f//r2// 5f) -.100xr 0 0 te i s2p3 9f te i s2p3 6f 201.09762( 9f//r2// 6f) -.119xr 0 0 te i s2p3 9f te i s2p3 7f 805.05449( 9f//r2// 7f) -.185xr 0 0 te i s2p3 9f te i s2p3 8f 5757.72616( 9f//r2// 8f) -.541xr 0 0 te i s2p3 9f te i s2p3 9f -20262.66951( 9f//r2// 9f) 1.000xr 100-100 te i s2p3 9f te i s2p3 10f 9140.57339( 9f//r2//10f) -.526xr 0 0 te i s2p3 9f te i s2p3 6h -44.63847( 9f//r2// 6h) -.033xr 0 -2 te i s2p3 9f te i s2p3 7h -289.01205( 9f//r2// 7h) -.069xr 2 -4 te i s2p3 9f te i s2p3 8h -2731.60850( 9f//r2// 8h) -.247xr 5 -8 te i s2p3 9f te i s2p3 9h 22464.76084( 9f//r2// 9h) .960xr 68 -78 te i s2p3 9f te i sp4 6s 0.00000( //r2// ) 0.000xr 0 0 te i s2p3 9f te i sp4 7s 0.00000( //r2// ) 0.000xr 0 0 te i s2p3 9f te i sp4 8s 0.00000( //r2// ) 0.000xr 0 0 te i s2p3 9f te i sp4 9s 0.00000( //r2// ) 0.000xr 0 0 te i s2p3 9f te i sp4 5d 0.00000( //r2// ) 0.000xr 0 0 te i s2p3 9f te i sp4 6d 0.00000( //r2// ) 0.000xr 0 0 te i s2p3 9f te i sp4 7d 0.00000( //r2// ) 0.000xr 0 0 te i s2p3 9f te i sp4 8d 0.00000( //r2// ) 0.000xr 0 0 te i s2p3 9f te i sp4 9d 0.00000( //r2// ) 0.000xr 0 0 te i s2p3 10f te i s2p4 -.84794(10f//r2// 5p) -.997xr -2 -99 te i s2p3 10f te i s2p3 6p 6.74676(10f//r2// 6p) .291xr 9 -76 te i s2p3 10f te i s2p3 7p 28.07959(10f//r2// 7p) .243xr 8 -51 te i s2p3 10f te i s2p3 8p 77.66370(10f//r2// 8p) .191xr 6 -28 te i s2p3 10f te i s2p3 9p 189.29844(10f//r2// 9p) .164xr 3 -12 te i s2p3 10f te i s2p3 10p 456.98741(10f//r2//10p) .161xr 0 -1 te i s2p3 10f te i s2p3 4f 10.73730(10f//r2// 4f) -.088xr 0 0 te i s2p3 10f te i s2p3 5f 39.27826(10f//r2// 5f) -.082xr 0 0 te i s2p3 10f te i s2p3 6f 119.35105(10f//r2// 6f) -.086xr 0 0 te i s2p3 10f te i s2p3 7f 365.69984(10f//r2// 7f) -.107xr 0 0 te i s2p3 10f te i s2p3 8f 1350.15237(10f//r2// 8f) -.173xr 0 0 te i s2p3 10f te i s2p3 9f 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s2p3 8d 7 74.82470 42.03611 5.01662 .00412 .71023xr99999999 .62194 .38494 te i s2p3 9d 7 75.76670 42.05531 5.02032 .00252 .41893xr99999999 .36894 .22894 te i s2p3 10d 7 76.36560 42.06521 5.02222 .00162 .26773xr99999999 .23654 .14704 te i s2p3 5g 7 73.82550 42.08261 5.02562 .00002 .14073xr99999999 .00014 .00014 te i s2p3 6g 7 75.16850 42.08261 5.02562 .00002 .08153xr99999999 .00024 .00014 te i s2p3 7g 7 75.97990 42.08261 5.02562 .00002 .05143xr99999999 .00014 .00014 te i s2p3 8g 7 76.50650 42.08261 5.02572 .00002 .03443xr99999999 .00014 .00014 te i sp5 3 85.43610 4.49712 52.69484 0.00000 0.00000xr99999999 te i sp4 6p 9 145.08410 42.46571 5.18332 .32092 4.93663xr99999999 56.31154 2.13414 1.51374 1.46244 te i sp4 7p 9 154.61480 42.62261 5.21282 .11992 1.61623xr99999999 56.47884 .74774 .51374 .51134 te i sp4 8p 9 158.22540 42.66991 5.22172 .05762 .73343xr99999999 56.52964 .35014 .23734 .23944 te i sp4 9p 9 160.01870 42.68881 5.22542 .03202 .39543xr99999999 56.55004 .19204 .12924 .13134 te i sp4 4f 9 156.64410 42.70651 5.22922 .00012 .59403xr99999999 56.56994 .00744 .02654 .01704 te i sp4 5f 9 159.15240 42.70721 5.22932 .00002 .31803xr99999999 56.57054 .00744 .02484 .01594 te i sp4 6f 9 160.52290 42.70841 5.22942 .00002 .19063xr99999999 56.57164 .00594 .01914 .01234 te i sp4 7f 9 161.34920 42.70931 5.22952 .00002 .12323xr99999999 56.57254 .00454 .01424 .00924 s2p3 6s -s2p3 7s 2 0.00005 1.30115 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 8s 2 0.00005 .81215 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 9s 2 0.00005 .57175 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 10s 2 0.00005 .43135 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 5d 2 -6.53345 -1.74555 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 6d 2 -3.11785 -.96455 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 7d 2 -1.80745 -.60485 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 8d 2 -1.20615 -.42365 0.00005 0.00005 0.00005xr99999999 s2p3 6s -s2p3 9d 2 -.87785 -.31835 0.00005 0.00005 0.00005xr99999999 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