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 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 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 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 n i s2p3 3 0.00000 63.23631 .07802 0.00000 0.00000xr99999999 n i s2p2 3p 7 83.12820 73.49351 .09822 .00392 4.49143xr99999999 3.09234 2.08394 n i s2p2 4p 7 94.67950 73.74141 .09872 .00132 1.41983xr99999999 .98674 .69164 n i s2p2 5p 7 98.92510 73.80941 .09882 .00062 .63193xr99999999 .44134 .31434 n i s2p2 6p 7 100.97560 73.83571 .09892 .00032 .33633xr99999999 .23554 .16924 n i s2p2 7p 7 102.12370 73.84791 .09892 .00022 .20033xr99999999 .14054 .10144 n i s2p2 8p 7 102.83150 73.85441 .09892 .00012 .12893xr99999999 .09054 .06564 n i s2p2 9p 7 103.29860 73.85811 .09892 .00012 .08783xr99999999 .06184 .04484 n i s2p2 4f 7 98.01620 73.86611 .09892 .00002 .16083xr99999999 .00094 .00064 n i s2p2 5f 7 100.49000 73.86611 .09892 .00002 .08253xr99999999 .00084 .00054 n i s2p2 6f 7 101.83530 73.86621 .09892 .00002 .04783xr99999999 .00064 .00044 n i s2p2 7f 7 102.64650 73.86621 .09892 .00002 .03013xr99999999 .00044 .00034 n i s2p2 8f 7 103.17310 73.86621 .09892 .00002 .02023xr99999999 .00034 .00024 n i s2p2 6h 7 101.84340 73.86631 .09892 .00002 .01213xr99999999 .00004 .00004 n i s2p2 7h 7 102.65210 73.86631 .09892 .00002 .00763xr99999999 .00004 .00004 n i sp3 3s 6 171.33990 72.75361 .09572 97.32004 2.95674xr99999999 2.91564 n i sp3 4s 6 190.89090 73.19141 .09652 97.68124 .78314xr99999999 .77864 n i sp3 5s 6 196.98550 73.28431 .09662 97.75984 .31574xr99999999 .31564 n i sp3 6s 6 199.69950 73.31561 .09672 97.78654 .15764xr99999999 .15804 n i sp3 7s 6 201.14380 73.32901 .09672 97.79804 .08974xr99999999 .09014 n i sp3 8s 6 202.00340 73.33571 .09672 97.80384 .05594xr99999999 .05624 n i sp3 3d 9 191.64880 73.31971 .09672 .00002 1.17773xr99999999 97.78934 .12404 .23814 .13284 n i sp3 4d 9 197.23420 73.33021 .09672 .00002 .53153xr99999999 97.79854 .08254 .15294 .08554 n i sp3 5d 9 199.81200 73.33691 .09672 .00002 .28363xr99999999 97.80444 .05144 .09374 .05254 n i sp3 6d 9 201.20460 73.34061 .09672 .00002 .16863xr99999999 97.80774 .03324 .05994 .03364 n i p5 2 238.24190 .07782 0.00000 0.00000 0.00000xr99999999 s2p3 -s2p2 3p 2 2.35305 9.20115 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 4p 2 1.30815 5.09445 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 5p 2 .86855 3.37715 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 6p 2 .63215 2.45555 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 7p 2 .48705 1.89135 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 8p 2 .39045 1.51555 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 9p 2 .32215 1.25025 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 4f 1 .14145 0.00005 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 5f 1 .13165 0.00005 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 6f 1 .11265 0.00005 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 7f 1 .09555 0.00005 0.00005 0.00005 0.00005xr99999999 s2p3 -s2p2 8f 1 .08155 0.00005 0.00005 0.00005 0.00005xr99999999 s2p3 -sp3 3s 3 4.65325 8.40545 1.55575 0.00005 0.00005xr99999999 s2p3 -sp3 4s 3 2.36005 4.27645 .79055 0.00005 0.00005xr99999999 s2p3 -sp3 5s 3 1.48945 2.70145 .49895 0.00005 0.00005xr99999999 s2p3 -sp3 6s 3 1.04915 1.90385 .35145 0.00005 0.00005xr99999999 s2p3 -sp3 7s 3 .79025 1.43465 .26475 0.00005 0.00005xr99999999 s2p3 -sp3 8s 3 .62285 1.13105 .20875 0.00005 0.00005xr99999999 s2p3 -sp3 3d 2 -4.17885 -2.38365 0.00005 0.00005 0.00005xr99999999 s2p3 -sp3 4d 2 -3.36985 -1.96405 0.00005 0.00005 0.00005xr99999999 s2p3 -sp3 5d 2 -2.64605 -1.55735 0.00005 0.00005 0.00005xr99999999 s2p3 -sp3 6d 2 -2.11935 -1.25425 0.00005 0.00005 0.00005xr99999999 s2p3 -p5 1 89.02945 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 3p -s2p2 4p 4 0.00005 2.27715 1.74485 1.19835 0.00005xr99999999 s2p2 3p -s2p2 5p 4 0.00005 1.48015 1.16565 .80645 0.00005xr99999999 s2p2 3p -s2p2 6p 4 0.00005 1.06705 .85095 .59095 0.00005xr99999999 s2p2 3p -s2p2 7p 4 0.00005 .81785 .65695 .45725 0.00005xr99999999 s2p2 3p -s2p2 8p 4 0.00005 .65325 .52725 .36755 0.00005xr99999999 s2p2 3p -s2p2 9p 4 0.00005 .53765 .43545 .30375 0.00005xr99999999 s2p2 3p -s2p2 4f 2 -.33615 -.00125 0.00005 0.00005 0.00005xr99999999 s2p2 3p -s2p2 5f 2 -.28005 -.00085 0.00005 0.00005 0.00005xr99999999 s2p2 3p -s2p2 6f 2 -.22615 -.00065 0.00005 0.00005 0.00005xr99999999 s2p2 3p -s2p2 7f 2 -.18515 -.00055 0.00005 0.00005 0.00005xr99999999 s2p2 3p -s2p2 8f 2 -.15435 -.00045 0.00005 0.00005 0.00005xr99999999 s2p2 3p -sp3 3s 2 11.78825 2.87985 0.00005 0.00005 0.00005xr99999999 s2p2 3p -sp3 4s 2 2.99365 1.47465 0.00005 0.00005 0.00005xr99999999 s2p2 3p -sp3 5s 2 1.74885 .93405 0.00005 0.00005 0.00005xr99999999 s2p2 3p -sp3 6s 2 1.18895 .65915 0.00005 0.00005 0.00005xr99999999 s2p2 3p -sp3 7s 2 .87755 .49705 0.00005 0.00005 0.00005xr99999999 s2p2 3p -sp3 8s 2 .68245 .39205 0.00005 0.00005 0.00005xr99999999 s2p2 3p -sp3 3d 2 4.92095 -.17345 0.00005 0.00005 0.00005xr99999999 s2p2 3p -sp3 4d 2 2.71245 -.14935 0.00005 0.00005 0.00005xr99999999 s2p2 3p -sp3 5d 2 1.80145 -.12075 0.00005 0.00005 0.00005xr99999999 s2p2 3p -sp3 6d 2 1.31445 -.09835 0.00005 0.00005 0.00005xr99999999 s2p2 4p -s2p2 5p 4 0.00005 .91255 .65975 .46615 0.00005xr99999999 s2p2 4p -s2p2 6p 4 0.00005 .65725 .48195 .34185 0.00005xr99999999 s2p2 4p -s2p2 7p 4 0.00005 .50375 .37215 .26465 0.00005xr99999999 s2p2 4p -s2p2 8p 4 0.00005 .40245 .29875 .21275 0.00005xr99999999 s2p2 4p -s2p2 9p 4 0.00005 .33135 .24675 .17595 0.00005xr99999999 s2p2 4p -s2p2 4f 2 .01115 -.00175 0.00005 0.00005 0.00005xr99999999 s2p2 4p -s2p2 5f 2 -.03565 -.00145 0.00005 0.00005 0.00005xr99999999 s2p2 4p -s2p2 6f 2 -.04215 -.00115 0.00005 0.00005 0.00005xr99999999 s2p2 4p -s2p2 7f 2 -.04005 -.00095 0.00005 0.00005 0.00005xr99999999 s2p2 4p -s2p2 8f 2 -.03615 -.00085 0.00005 0.00005 0.00005xr99999999 s2p2 4p -sp3 3s 2 5.69345 1.63535 0.00005 0.00005 0.00005xr99999999 s2p2 4p -sp3 4s 2 3.48195 .83895 0.00005 0.00005 0.00005xr99999999 s2p2 4p -sp3 5s 2 1.33795 .53175 0.00005 0.00005 0.00005xr99999999 s2p2 4p -sp3 6s 2 .88425 .37535 0.00005 0.00005 0.00005xr99999999 s2p2 4p -sp3 7s 2 .64475 .28315 0.00005 0.00005 0.00005xr99999999 s2p2 4p -sp3 8s 2 .49835 .22335 0.00005 0.00005 0.00005xr99999999 s2p2 4p -sp3 3d 2 .81765 -.08405 0.00005 0.00005 0.00005xr99999999 s2p2 4p -sp3 4d 2 1.61495 -.07315 0.00005 0.00005 0.00005xr99999999 s2p2 4p -sp3 5d 2 1.12895 -.05935 0.00005 0.00005 0.00005xr99999999 s2p2 4p -sp3 6d 2 .84265 -.04845 0.00005 0.00005 0.00005xr99999999 s2p2 5p -s2p2 6p 4 0.00005 .45295 .32235 .23065 0.00005xr99999999 s2p2 5p -s2p2 7p 4 0.00005 .34705 .24905 .17855 0.00005xr99999999 s2p2 5p -s2p2 8p 4 0.00005 .27735 .19995 .14355 0.00005xr99999999 s2p2 5p -s2p2 9p 4 0.00005 .22835 .16515 .11875 0.00005xr99999999 s2p2 5p -s2p2 4f 2 -.01325 -.00145 0.00005 0.00005 0.00005xr99999999 s2p2 5p -s2p2 5f 2 -.00255 -.00125 0.00005 0.00005 0.00005xr99999999 s2p2 5p -s2p2 6f 2 -.00995 -.00105 0.00005 0.00005 0.00005xr99999999 s2p2 5p -s2p2 7f 2 -.01195 -.00085 0.00005 0.00005 0.00005xr99999999 s2p2 5p -s2p2 8f 2 -.01195 -.00075 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 3s 2 3.63565 1.09535 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 4s 2 2.16035 .56235 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 5s 2 1.46125 .35655 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 6s 2 .69995 .25175 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 7s 2 .50005 .18985 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 8s 2 .38295 .14975 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 3d 2 .51125 -.05245 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 4d 2 .46395 -.04585 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 5d 2 .71925 -.03735 0.00005 0.00005 0.00005xr99999999 s2p2 5p -sp3 6d 2 .55655 -.03045 0.00005 0.00005 0.00005xr99999999 s2p2 6p -s2p2 7p 4 0.00005 .25705 .18195 .13105 0.00005xr99999999 s2p2 6p -s2p2 8p 4 0.00005 .20535 .14605 .10535 0.00005xr99999999 s2p2 6p -s2p2 9p 4 0.00005 .16905 .12065 .08715 0.00005xr99999999 s2p2 6p -s2p2 4f 2 -.01025 -.00115 0.00005 0.00005 0.00005xr99999999 s2p2 6p -s2p2 5f 2 -.00895 -.00105 0.00005 0.00005 0.00005xr99999999 s2p2 6p -s2p2 6f 2 -.00405 -.00085 0.00005 0.00005 0.00005xr99999999 s2p2 6p -s2p2 7f 2 -.00515 -.00075 0.00005 0.00005 0.00005xr99999999 s2p2 6p -s2p2 8f 2 -.00545 -.00055 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 3s 2 2.59815 .80075 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 4s 2 1.53655 .41125 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 5s 2 1.02215 .26075 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 6s 2 .74435 .18415 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 7s 2 .40925 .13885 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 8s 2 .30835 .10955 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 3d 2 .35455 -.03695 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 4d 2 .32505 -.03235 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 5d 2 .27465 -.02635 0.00005 0.00005 0.00005xr99999999 s2p2 6p -sp3 6d 2 .38035 -.02155 0.00005 0.00005 0.00005xr99999999 s2p2 7p -s2p2 8p 4 0.00005 .15975 .11285 .08165 0.00005xr99999999 s2p2 7p -s2p2 9p 4 0.00005 .13155 .09325 .06745 0.00005xr99999999 s2p2 7p -s2p2 4f 2 -.00805 -.00095 0.00005 0.00005 0.00005xr99999999 s2p2 7p -s2p2 5f 2 -.00725 -.00085 0.00005 0.00005 0.00005xr99999999 s2p2 7p -s2p2 6f 2 -.00585 -.00065 0.00005 0.00005 0.00005xr99999999 s2p2 7p -s2p2 7f 2 -.00345 -.00055 0.00005 0.00005 0.00005xr99999999 s2p2 7p -s2p2 8f 2 -.00335 -.00045 0.00005 0.00005 0.00005xr99999999 s2p2 7p -sp3 3s 2 1.98105 .61875 0.00005 0.00005 0.00005xr99999999 s2p2 7p -sp3 4s 2 1.17015 .31785 0.00005 0.00005 0.00005xr99999999 s2p2 7p -sp3 5s 2 .77665 .20155 0.00005 0.00005 0.00005xr99999999 s2p2 7p -sp3 6s 2 .55905 .14235 0.00005 0.00005 0.00005xr99999999 s2p2 7p -sp3 7s 2 .42885 .10735 0.00005 0.00005 0.00005xr99999999 s2p2 7p -sp3 8s 2 .25915 .08475 0.00005 0.00005 0.00005xr99999999 s2p2 7p -sp3 3d 2 .26485 -.02785 0.00005 0.00005 0.00005xr99999999 s2p2 7p -sp3 4d 2 .24155 -.02445 0.00005 0.00005 0.00005xr99999999 s2p2 7p -sp3 5d 2 .20635 -.01995 0.00005 0.00005 0.00005xr99999999 s2p2 7p -sp3 6d 2 .17355 -.01635 0.00005 0.00005 0.00005xr99999999 s2p2 8p -s2p2 9p 4 0.00005 .10605 .07485 .05425 0.00005xr99999999 s2p2 8p -s2p2 4f 2 -.00635 -.00075 0.00005 0.00005 0.00005xr99999999 s2p2 8p -s2p2 5f 2 -.00595 -.00065 0.00005 0.00005 0.00005xr99999999 s2p2 8p -s2p2 6f 2 -.00495 -.00055 0.00005 0.00005 0.00005xr99999999 s2p2 8p -s2p2 7f 2 -.00395 -.00045 0.00005 0.00005 0.00005xr99999999 s2p2 8p -s2p2 8f 2 -.00265 -.00045 0.00005 0.00005 0.00005xr99999999 s2p2 8p -sp3 3s 2 1.57695 .49685 0.00005 0.00005 0.00005xr99999999 s2p2 8p -sp3 4s 2 .93135 .25525 0.00005 0.00005 0.00005xr99999999 s2p2 8p -sp3 5s 2 .61785 .16185 0.00005 0.00005 0.00005xr99999999 s2p2 8p -sp3 6s 2 .44415 .11435 0.00005 0.00005 0.00005xr99999999 s2p2 8p -sp3 7s 2 .33775 .08625 0.00005 0.00005 0.00005xr99999999 s2p2 8p -sp3 8s 2 .26905 .06805 0.00005 0.00005 0.00005xr99999999 s2p2 8p -sp3 3d 2 .20765 -.02205 0.00005 0.00005 0.00005xr99999999 s2p2 8p -sp3 4d 2 .18875 -.01935 0.00005 0.00005 0.00005xr99999999 s2p2 8p -sp3 5d 2 .16065 -.01585 0.00005 0.00005 0.00005xr99999999 s2p2 8p -sp3 6d 2 .13665 -.01295 0.00005 0.00005 0.00005xr99999999 s2p2 9p -s2p2 4f 2 -.00525 -.00065 0.00005 0.00005 0.00005xr99999999 s2p2 9p -s2p2 5f 2 -.00485 -.00055 0.00005 0.00005 0.00005xr99999999 s2p2 9p -s2p2 6f 2 -.00415 -.00055 0.00005 0.00005 0.00005xr99999999 s2p2 9p -s2p2 7f 2 -.00345 -.00045 0.00005 0.00005 0.00005xr99999999 s2p2 9p -s2p2 8f 2 -.00285 -.00035 0.00005 0.00005 0.00005xr99999999 s2p2 9p -sp3 3s 2 1.29465 .41045 0.00005 0.00005 0.00005xr99999999 s2p2 9p -sp3 4s 2 .76475 .21095 0.00005 0.00005 0.00005xr99999999 s2p2 9p -sp3 5s 2 .50735 .13375 0.00005 0.00005 0.00005xr99999999 s2p2 9p -sp3 6s 2 .36465 .09445 0.00005 0.00005 0.00005xr99999999 s2p2 9p -sp3 7s 2 .27705 .07125 0.00005 0.00005 0.00005xr99999999 s2p2 9p -sp3 8s 2 .21925 .05625 0.00005 0.00005 0.00005xr99999999 s2p2 9p -sp3 3d 2 .16855 -.01805 0.00005 0.00005 0.00005xr99999999 s2p2 9p -sp3 4d 2 .15285 -.01585 0.00005 0.00005 0.00005xr99999999 s2p2 9p -sp3 5d 2 .12975 -.01295 0.00005 0.00005 0.00005xr99999999 s2p2 9p -sp3 6d 2 .11005 -.01055 0.00005 0.00005 0.00005xr99999999 s2p2 4f -s2p2 5f 4 0.00005 .09355 .00085 .00055 0.00005xr99999999 s2p2 4f -s2p2 6f 4 0.00005 .06595 .00075 .00055 0.00005xr99999999 s2p2 4f -s2p2 7f 4 0.00005 .05025 .00065 .00045 0.00005xr99999999 s2p2 4f -s2p2 8f 4 0.00005 .04005 .00055 .00035 0.00005xr99999999 s2p2 4f -s2p2 6h 2 .01915 .00005 0.00005 0.00005 0.00005xr99999999 s2p2 4f -s2p2 7h 2 .01855 .00005 0.00005 0.00005 0.00005xr99999999 s2p2 4f -sp3 3d 2 -1.64375 -.00955 0.00005 0.00005 0.00005xr99999999 s2p2 4f -sp3 4d 2 .02645 -.00765 0.00005 0.00005 0.00005xr99999999 s2p2 4f -sp3 5d 2 -.04455 -.00595 0.00005 0.00005 0.00005xr99999999 s2p2 4f -sp3 6d 2 -.03655 -.00475 0.00005 0.00005 0.00005xr99999999 s2p2 5f -s2p2 6f 4 0.00005 .05775 .00065 .00045 0.00005xr99999999 s2p2 5f -s2p2 7f 4 0.00005 .04415 .00055 .00045 0.00005xr99999999 s2p2 5f -s2p2 8f 4 0.00005 .03535 .00055 .00035 0.00005xr99999999 s2p2 5f -s2p2 6h 2 -.00455 .00005 0.00005 0.00005 0.00005xr99999999 s2p2 5f -s2p2 7h 2 .00075 .00005 0.00005 0.00005 0.00005xr99999999 s2p2 5f -sp3 3d 2 -1.15095 -.00885 0.00005 0.00005 0.00005xr99999999 s2p2 5f -sp3 4d 2 -.46545 -.00705 0.00005 0.00005 0.00005xr99999999 s2p2 5f -sp3 5d 2 .02135 -.00555 0.00005 0.00005 0.00005xr99999999 s2p2 5f -sp3 6d 2 -.02595 -.00445 0.00005 0.00005 0.00005xr99999999 s2p2 6f -s2p2 7f 4 0.00005 .03635 .00055 .00035 0.00005xr99999999 s2p2 6f -s2p2 8f 4 0.00005 .02915 .00045 .00035 0.00005xr99999999 s2p2 6f -s2p2 6h 2 -.00005 .00005 0.00005 0.00005 0.00005xr99999999 s2p2 6f -s2p2 7h 2 -.00205 .00005 0.00005 0.00005 0.00005xr99999999 s2p2 6f -sp3 3d 2 -.86015 -.00755 0.00005 0.00005 0.00005xr99999999 s2p2 6f -sp3 4d 2 -.41605 -.00605 0.00005 0.00005 0.00005xr99999999 s2p2 6f -sp3 5d 2 -.17035 -.00475 0.00005 0.00005 0.00005xr99999999 s2p2 6f -sp3 6d 2 .01565 -.00385 0.00005 0.00005 0.00005xr99999999 s2p2 7f -s2p2 8f 4 0.00005 .02405 .00035 .00025 0.00005xr99999999 s2p2 7f -s2p2 6h 2 .00015 .00005 0.00005 0.00005 0.00005xr99999999 s2p2 7f -s2p2 7h 2 -.00005 .00005 0.00005 0.00005 0.00005xr99999999 s2p2 7f -sp3 3d 2 -.67485 -.00645 0.00005 0.00005 0.00005xr99999999 s2p2 7f -sp3 4d 2 -.34895 -.00515 0.00005 0.00005 0.00005xr99999999 s2p2 7f -sp3 5d 2 -.17295 -.00405 0.00005 0.00005 0.00005xr99999999 s2p2 7f -sp3 6d 2 -.07325 -.00325 0.00005 0.00005 0.00005xr99999999 s2p2 8f -s2p2 6h 2 .00015 .00005 0.00005 0.00005 0.00005xr99999999 s2p2 8f -s2p2 7h 2 .00005 .00005 0.00005 0.00005 0.00005xr99999999 s2p2 8f -sp3 3d 2 -.54825 -.00545 0.00005 0.00005 0.00005xr99999999 s2p2 8f -sp3 4d 2 -.29335 -.00445 0.00005 0.00005 0.00005xr99999999 s2p2 8f -sp3 5d 2 -.15605 -.00345 0.00005 0.00005 0.00005xr99999999 s2p2 8f -sp3 6d 2 -.08115 -.00275 0.00005 0.00005 0.00005xr99999999 s2p2 6h -s2p2 7h 4 0.00005 .00695 .00005 .00005 0.00005xr99999999 sp3 3s -sp3 4s 4 0.00005 1.52065 0.00005 1.50275 0.00005xr99999999 sp3 3s -sp3 5s 4 0.00005 .96485 0.00005 .95505 0.00005xr99999999 sp3 3s -sp3 6s 4 0.00005 .68155 0.00005 .67515 0.00005xr99999999 sp3 3s -sp3 7s 4 0.00005 .51415 0.00005 .50955 0.00005xr99999999 sp3 3s -sp3 8s 4 0.00005 .40565 0.00005 .40215 0.00005xr99999999 sp3 3s -sp3 3d 2 1.88115 -.01915 0.00005 0.00005 0.00005xr99999999 sp3 3s -sp3 4d 2 1.28535 -.03045 0.00005 0.00005 0.00005xr99999999 sp3 3s -sp3 5d 2 .93315 -.02945 0.00005 0.00005 0.00005xr99999999 sp3 3s -sp3 6d 2 .71465 -.02605 0.00005 0.00005 0.00005xr99999999 sp3 3s -p5 1 8.43445 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 4s -sp3 5s 4 0.00005 .49725 0.00005 .49565 0.00005xr99999999 sp3 4s -sp3 6s 4 0.00005 .35125 0.00005 .35065 0.00005xr99999999 sp3 4s -sp3 7s 4 0.00005 .26505 0.00005 .26475 0.00005xr99999999 sp3 4s -sp3 8s 4 0.00005 .20915 0.00005 .20905 0.00005xr99999999 sp3 4s -sp3 3d 2 .37845 -.00335 0.00005 0.00005 0.00005xr99999999 sp3 4s -sp3 4d 2 .44425 -.00985 0.00005 0.00005 0.00005xr99999999 sp3 4s -sp3 5d 2 .35895 -.01035 0.00005 0.00005 0.00005xr99999999 sp3 4s -sp3 6d 2 .28785 -.00945 0.00005 0.00005 0.00005xr99999999 sp3 4s -p5 1 4.27305 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 5s -sp3 6s 4 0.00005 .22305 0.00005 .22335 0.00005xr99999999 sp3 5s -sp3 7s 4 0.00005 .16835 0.00005 .16865 0.00005xr99999999 sp3 5s -sp3 8s 4 0.00005 .13285 0.00005 .13315 0.00005xr99999999 sp3 5s -sp3 3d 2 .22985 -.00045 0.00005 0.00005 0.00005xr99999999 sp3 5s -sp3 4d 2 .19365 -.00475 0.00005 0.00005 0.00005xr99999999 sp3 5s -sp3 5d 2 .18195 -.00545 0.00005 0.00005 0.00005xr99999999 sp3 5s -sp3 6d 2 .15235 -.00505 0.00005 0.00005 0.00005xr99999999 sp3 5s -p5 1 2.69635 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 6s -sp3 7s 4 0.00005 .11895 0.00005 .11935 0.00005xr99999999 sp3 6s -sp3 8s 4 0.00005 .09385 0.00005 .09425 0.00005xr99999999 sp3 6s -sp3 3d 2 .15635 .00035 0.00005 0.00005 0.00005xr99999999 sp3 6s -sp3 4d 2 .13345 -.00285 0.00005 0.00005 0.00005xr99999999 sp3 6s -sp3 5d 2 .10735 -.00345 0.00005 0.00005 0.00005xr99999999 sp3 6s -sp3 6d 2 .09485 -.00325 0.00005 0.00005 0.00005xr99999999 sp3 6s -p5 1 1.89935 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 7s -sp3 8s 4 0.00005 .07085 0.00005 .07125 0.00005xr99999999 sp3 7s -sp3 3d 2 .11515 .00055 0.00005 0.00005 0.00005xr99999999 sp3 7s -sp3 4d 2 .09825 -.00195 0.00005 0.00005 0.00005xr99999999 sp3 7s -sp3 5d 2 .07965 -.00245 0.00005 0.00005 0.00005xr99999999 sp3 7s -sp3 6d 2 .06475 -.00235 0.00005 0.00005 0.00005xr99999999 sp3 7s -p5 1 1.43085 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 8s -sp3 3d 2 .08935 .00055 0.00005 0.00005 0.00005xr99999999 sp3 8s -sp3 4d 2 .07625 -.00145 0.00005 0.00005 0.00005xr99999999 sp3 8s -sp3 5d 2 .06185 -.00185 0.00005 0.00005 0.00005xr99999999 sp3 8s -sp3 6d 2 .05055 -.00175 0.00005 0.00005 0.00005xr99999999 sp3 8s -p5 1 1.12795 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 3d -sp3 4d 6 0.00005 .10115 0.00005 .69275 .19075xr99999999 .10655 sp3 3d -sp3 5d 6 0.00005 .07985 0.00005 .48315 .14925xr99999999 .08345 sp3 3d -sp3 6d 6 0.00005 .06415 0.00005 .36365 .11935xr99999999 .06675 sp3 3d -p5 1 -4.08255 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 4d -sp3 5d 6 0.00005 .06515 0.00005 .37115 .11975xr99999999 .06705 sp3 4d -sp3 6d 6 0.00005 .05235 0.00005 .28065 .09575xr99999999 .05365 sp3 4d -p5 1 -3.29645 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 5d -sp3 6d 6 0.00005 .04135 0.00005 .21425 .07505xr99999999 .04205 sp3 5d -p5 1 -2.58985 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 6d -p5 1 -2.07495 0.00005 0.00005 0.00005 0.00005xr99999999 n i s2p3 n i s2p3 -2.94903( 2p//r2// 2p) 1.000xr 100-100 n i s2p3 n i s2p2 3p 2.42609( 2p//r2// 3p) -.879xr 0 -1 n i s2p3 n i s2p2 4p 1.10199( 2p//r2// 4p) -.809xr 0 -1 n i s2p3 n i s2p2 5p .67938( 2p//r2// 5p) -.770xr 0 0 n i s2p3 n i s2p2 6p .47614( 2p//r2// 6p) -.749xr 0 0 n i s2p3 n i s2p2 7p .35870( 2p//r2// 7p) -.737xr 0 0 n i s2p3 n i s2p2 8p .28321( 2p//r2// 8p) -.729xr 0 0 n i s2p3 n i s2p2 9p .23114( 2p//r2// 9p) -.723xr 0 0 n i s2p3 n i s2p2 4f .43941( 2p//r2// 4f) 1.000xr 1-100 n i s2p3 n i s2p2 5f .37668( 2p//r2// 5f) 1.000xr 1-100 n i s2p3 n i s2p2 6f .30826( 2p//r2// 6f) 1.000xr 0-100 n i s2p3 n i s2p2 7f .25422( 2p//r2// 7f) 1.000xr 0-100 n i s2p3 n i s2p2 8f .21299( 2p//r2// 8f) 1.000xr 0-100 n i s2p3 n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i s2p3 n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i s2p3 n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p3 n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p3 n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p3 n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p3 n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p3 n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p3 n i sp3 3d -.63524( 2s//r2// 3d)-1.000xr -7-100 n i s2p3 n i sp3 4d -.46783( 2s//r2// 4d)-1.000xr -5-100 n i s2p3 n i sp3 5d -.35161( 2s//r2// 5d)-1.000xr -4-100 n i s2p3 n i sp3 6d -.27461( 2s//r2// 6d) -.999xr -3-100 n i s2p3 n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i s2p3 2.42609( 3p//r2// 2p) -.879xr 0 -1 n i s2p2 3p n i s2p2 3p -64.68155( 3p//r2// 3p) 1.000xr 100-100 n i s2p2 3p n i s2p2 4p 47.48354( 3p//r2// 4p) -.744xr 0 -1 n i s2p2 3p n i s2p2 5p 14.61937( 3p//r2// 5p) -.412xr 0 -1 n i s2p2 3p n i s2p2 6p 7.82910( 3p//r2// 6p) -.318xr 0 -1 n i s2p2 3p n i s2p2 7p 5.14184( 3p//r2// 7p) -.278xr 0 -2 n i s2p2 3p n i s2p2 8p 3.74541( 3p//r2// 8p) -.256xr 0 -2 n i s2p2 3p n i s2p2 9p 2.90278( 3p//r2// 9p) -.242xr 0 -2 n i s2p2 3p n i s2p2 4f -79.41260( 3p//r2// 4f)-1.000xr -43-100 n i s2p2 3p n i s2p2 5f -38.67332( 3p//r2// 5f) -.847xr -29 -97 n i s2p2 3p n i s2p2 6f -24.03860( 3p//r2// 6f) -.742xr -21 -94 n i s2p2 3p n i s2p2 7f -16.94243( 3p//r2// 7f) -.682xr -16 -93 n i s2p2 3p n i s2p2 8f -12.85638( 3p//r2// 8f) -.645xr -13 -92 n i s2p2 3p n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3p n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i s2p3 1.10199( 4p//r2// 2p) -.809xr 0 -1 n i s2p2 4p n i s2p2 3p 47.48354( 4p//r2// 3p) -.744xr 0 -1 n i s2p2 4p n i s2p2 4p -303.22821( 4p//r2// 4p) 1.000xr 100-100 n i s2p2 4p n i s2p2 5p 182.65716( 4p//r2// 5p) -.658xr 0 0 n i s2p2 4p n i s2p2 6p 51.87910( 4p//r2// 6p) -.304xr 0 -1 n i s2p2 4p n i s2p2 7p 26.60563( 4p//r2// 7p) -.215xr 0 -1 n i s2p2 4p n i s2p2 8p 17.04869( 4p//r2// 8p) -.177xr 0 -1 n i s2p2 4p n i s2p2 9p 12.23937( 4p//r2// 9p) -.157xr 0 -1 n i s2p2 4p n i s2p2 4f 404.28611( 4p//r2// 4f) .992xr 87 -93 n i s2p2 4p n i s2p2 5f -124.44772( 4p//r2// 5f) -.447xr 7 -15 n i s2p2 4p n i s2p2 6f -77.40923( 4p//r2// 6f) -.422xr -1 -4 n i s2p2 4p n i s2p2 7f -52.23552( 4p//r2// 7f) -.378xr -3 -12 n i s2p2 4p n i s2p2 8f -38.33092( 4p//r2// 8f) -.348xr -3 -16 n i s2p2 4p n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4p n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i s2p3 .67938( 5p//r2// 2p) -.770xr 0 0 n i s2p2 5p n i s2p2 3p 14.61937( 5p//r2// 3p) -.412xr 0 -1 n i s2p2 5p n i s2p2 4p 182.65716( 5p//r2// 4p) -.658xr 0 0 n i s2p2 5p n i s2p2 5p -902.33635( 5p//r2// 5p) 1.000xr 100-100 n i s2p2 5p n i s2p2 6p 485.45203( 5p//r2// 6p) -.606xr 0 0 n i s2p2 5p n i s2p2 7p 130.87030( 5p//r2// 7p) -.249xr 0 0 n i s2p2 5p n i s2p2 8p 64.99026( 5p//r2// 8p) -.166xr 0 0 n i s2p2 5p n i s2p2 9p 40.79803( 5p//r2// 9p) -.130xr 0 0 n i s2p2 5p n i s2p2 4f -416.76073( 5p//r2// 4f) -.795xr -24 -34 n i s2p2 5p n i s2p2 5f 1188.36935( 5p//r2// 5f) .997xr 88 -96 n i s2p2 5p n i s2p2 6f -158.20924( 5p//r2// 6f) -.195xr 22 -39 n i s2p2 5p n i s2p2 7f -119.54744( 5p//r2// 7f) -.212xr 9 -23 n i s2p2 5p n i s2p2 8f -85.44813( 5p//r2// 8f) -.196xr 5 -16 n i s2p2 5p n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5p n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i s2p3 .47614( 6p//r2// 2p) -.749xr 0 0 n i s2p2 6p n i s2p2 3p 7.82910( 6p//r2// 3p) -.318xr 0 -1 n i s2p2 6p n i s2p2 4p 51.87910( 6p//r2// 4p) -.304xr 0 -1 n i s2p2 6p n i s2p2 5p 485.45203( 6p//r2// 5p) -.606xr 0 0 n i s2p2 6p n i s2p2 6p -2111.37872( 6p//r2// 6p) 1.000xr 100-100 n i s2p2 6p n i s2p2 7p 1055.40018( 6p//r2// 7p) -.573xr 0 0 n i s2p2 6p n i s2p2 8p 273.85919( 6p//r2// 8p) -.218xr 0 0 n i s2p2 6p n i s2p2 9p 132.55938( 6p//r2// 9p) -.137xr 0 0 n i s2p2 6p n i s2p2 4f 10.96442( 6p//r2// 4f) .031xr -4 -10 n i s2p2 6p n i s2p2 5f -1323.12381( 6p//r2// 5f) -.846xr -35 -46 n i s2p2 6p n i s2p2 6f 2642.17090( 6p//r2// 6f) .987xr 84 -95 n i s2p2 6p n i s2p2 7f -165.33727( 6p//r2// 7f) -.088xr 27 -45 n i s2p2 6p n i s2p2 8f -161.90152( 6p//r2// 8f) -.118xr 14 -31 n i s2p2 6p n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6p n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i s2p3 .35870( 7p//r2// 2p) -.737xr 0 0 n i s2p2 7p n i s2p2 3p 5.14184( 7p//r2// 3p) -.278xr 0 -2 n i s2p2 7p n i s2p2 4p 26.60563( 7p//r2// 4p) -.215xr 0 -1 n i s2p2 7p n i s2p2 5p 130.87030( 7p//r2// 5p) -.249xr 0 0 n i s2p2 7p n i s2p2 6p 1055.40018( 7p//r2// 6p) -.573xr 0 0 n i s2p2 7p n i s2p2 7p -4245.28545( 7p//r2// 7p) 1.000xr 100-100 n i s2p2 7p n i s2p2 8p 2015.06622( 7p//r2// 8p) -.550xr 0 0 n i s2p2 7p n i s2p2 9p 507.70570( 7p//r2// 9p) -.196xr 0 0 n i s2p2 7p n i s2p2 4f 4.68907( 7p//r2// 4f) .019xr -2 -6 n i s2p2 7p n i s2p2 5f 54.29204( 7p//r2// 5f) .049xr -7 -14 n i s2p2 7p n i s2p2 6f -3088.89554( 7p//r2// 6f) -.877xr -43 -55 n i s2p2 7p n i s2p2 7f 5056.32038( 7p//r2// 7f) .971xr 79 -93 n i s2p2 7p n i s2p2 8f -125.76477( 7p//r2// 8f) -.033xr 28 -46 n i s2p2 7p n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7p n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i s2p3 .28321( 8p//r2// 2p) -.729xr 0 0 n i s2p2 8p n i s2p2 3p 3.74541( 8p//r2// 3p) -.256xr 0 -2 n i s2p2 8p n i s2p2 4p 17.04869( 8p//r2// 4p) -.177xr 0 -1 n i s2p2 8p n i s2p2 5p 64.99026( 8p//r2// 5p) -.166xr 0 0 n i s2p2 8p n i s2p2 6p 273.85919( 8p//r2// 6p) -.218xr 0 0 n i s2p2 8p n i s2p2 7p 2015.06622( 8p//r2// 7p) -.550xr 0 0 n i s2p2 8p n i s2p2 8p -7684.58325( 8p//r2// 8p) 1.000xr 100-100 n i s2p2 8p n i s2p2 9p 3510.12634( 8p//r2// 9p) -.533xr 0 0 n i s2p2 8p n i s2p2 4f 2.62751( 8p//r2// 4f) .014xr -1 -5 n i s2p2 8p n i s2p2 5f 22.23504( 8p//r2// 5f) .028xr -3 -9 n i s2p2 8p n i s2p2 6f 161.44241( 8p//r2// 6f) .063xr -9 -17 n i s2p2 8p n i s2p2 7f -6117.56233( 8p//r2// 7f) -.898xr -49 -62 n i s2p2 8p n i s2p2 8f 8769.63629( 8p//r2// 8f) .955xr 74 -90 n i s2p2 8p n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8p n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i s2p3 .23114( 9p//r2// 2p) -.723xr 0 0 n i s2p2 9p n i s2p2 3p 2.90278( 9p//r2// 3p) -.242xr 0 -2 n i s2p2 9p n i s2p2 4p 12.23937( 9p//r2// 4p) -.157xr 0 -1 n i s2p2 9p n i s2p2 5p 40.79803( 9p//r2// 5p) -.130xr 0 0 n i s2p2 9p n i s2p2 6p 132.55938( 9p//r2// 6p) -.137xr 0 0 n i s2p2 9p n i s2p2 7p 507.70570( 9p//r2// 7p) -.196xr 0 0 n i s2p2 9p n i s2p2 8p 3510.12634( 9p//r2// 8p) -.533xr 0 0 n i s2p2 9p n i s2p2 9p -12875.39756( 9p//r2// 9p) 1.000xr 100-100 n i s2p2 9p n i s2p2 4f 1.73915( 9p//r2// 4f) .011xr -1 -4 n i s2p2 9p n i s2p2 5f 12.28293( 9p//r2// 5f) .020xr -2 -7 n i s2p2 9p n i s2p2 6f 64.23706( 9p//r2// 6f) .034xr -4 -11 n i s2p2 9p n i s2p2 7f 373.89664( 9p//r2// 7f) .072xr -11 -18 n i s2p2 9p n i s2p2 8f -10886.31097( 9p//r2// 8f) -.911xr -54 -67 n i s2p2 9p n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9p n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i s2p3 .43941( 4f//r2// 2p) 1.000xr 1-100 n i s2p2 4f n i s2p2 3p -79.41260( 4f//r2// 3p)-1.000xr -43-100 n i s2p2 4f n i s2p2 4p 404.28611( 4f//r2// 4p) .992xr 87 -93 n i s2p2 4f n i s2p2 5p -416.76073( 4f//r2// 5p) -.795xr -24 -34 n i s2p2 4f n i s2p2 6p 10.96442( 4f//r2// 6p) .031xr -4 -10 n i s2p2 4f n i s2p2 7p 4.68907( 4f//r2// 7p) .019xr -2 -6 n i s2p2 4f n i s2p2 8p 2.62751( 4f//r2// 8p) .014xr -1 -5 n i s2p2 4f n i s2p2 9p 1.73915( 4f//r2// 9p) .011xr -1 -4 n i s2p2 4f n i s2p2 4f -491.71585( 4f//r2// 4f) 1.000xr 100-100 n i s2p2 4f n i s2p2 5f 322.83319( 4f//r2// 5f) -.676xr 0 0 n i s2p2 4f n i s2p2 6f 76.96781( 4f//r2// 6f) -.252xr 0 0 n i s2p2 4f n i s2p2 7f 35.90694( 4f//r2// 7f) -.160xr 0 0 n i s2p2 4f n i s2p2 8f 21.73501( 4f//r2// 8f) -.122xr 0 0 n i s2p2 4f n i s2p2 6h 610.28180( 4f//r2// 6h) 1.000xr 44-100 n i s2p2 4f n i s2p2 7h 327.59100( 4f//r2// 7h) .818xr 33 -96 n i s2p2 4f n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4f n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i s2p3 .37668( 5f//r2// 2p) 1.000xr 1-100 n i s2p2 5f n i s2p2 3p -38.67332( 5f//r2// 3p) -.847xr -29 -97 n i s2p2 5f n i s2p2 4p -124.44772( 5f//r2// 4p) -.447xr 7 -15 n i s2p2 5f n i s2p2 5p 1188.36935( 5f//r2// 5p) .997xr 88 -96 n i s2p2 5f n i s2p2 6p -1323.12381( 5f//r2// 6p) -.846xr -35 -46 n i s2p2 5f n i s2p2 7p 54.29204( 5f//r2// 7p) .049xr -7 -14 n i s2p2 5f n i s2p2 8p 22.23504( 5f//r2// 8p) .028xr -3 -9 n i s2p2 5f n i s2p2 9p 12.28293( 5f//r2// 9p) .020xr -2 -7 n i s2p2 5f n i s2p2 4f 322.83319( 5f//r2// 4f) -.676xr 0 0 n i s2p2 5f n i s2p2 5f -1536.43528( 5f//r2// 5f) 1.000xr 100-100 n i s2p2 5f n i s2p2 6f 872.35312( 5f//r2// 6f) -.623xr 0 0 n i s2p2 5f n i s2p2 7f 210.62086( 5f//r2// 7f) -.223xr 0 0 n i s2p2 5f n i s2p2 8f 97.94256( 5f//r2// 8f) -.137xr 0 0 n i s2p2 5f n i s2p2 6h -2303.04480( 5f//r2// 6h) -.988xr -83 -93 n i s2p2 5f n i s2p2 7h 373.57243( 5f//r2// 7h) .247xr -12 -24 n i s2p2 5f n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5f n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i s2p3 .30826( 6f//r2// 2p) 1.000xr 0-100 n i s2p2 6f n i s2p2 3p -24.03860( 6f//r2// 3p) -.742xr -21 -94 n i s2p2 6f n i s2p2 4p -77.40923( 6f//r2// 4p) -.422xr -1 -4 n i s2p2 6f n i s2p2 5p -158.20924( 6f//r2// 5p) -.195xr 22 -39 n i s2p2 6f n i s2p2 6p 2642.17090( 6f//r2// 6p) .987xr 84 -95 n i s2p2 6f n i s2p2 7p -3088.89554( 6f//r2// 7p) -.877xr -43 -55 n i s2p2 6f n i s2p2 8p 161.44241( 6f//r2// 8p) .063xr -9 -17 n i s2p2 6f n i s2p2 9p 64.23706( 6f//r2// 9p) .034xr -4 -11 n i s2p2 6f n i s2p2 4f 76.96781( 6f//r2// 4f) -.252xr 0 0 n i s2p2 6f n i s2p2 5f 872.35312( 6f//r2// 5f) -.623xr 0 0 n i s2p2 6f n i s2p2 6f -3564.37997( 6f//r2// 6f) 1.000xr 100-100 n i s2p2 6f n i s2p2 7f 1844.50793( 6f//r2// 7f) -.585xr 0 0 n i s2p2 6f n i s2p2 8f 443.08992( 6f//r2// 8f) -.201xr 0 0 n i s2p2 6f n i s2p2 6h 2437.86033( 6f//r2// 6h) .798xr 33 -43 n i s2p2 6f n i s2p2 7h -4919.19923( 6f//r2// 7h) -.987xr -79 -94 n i s2p2 6f n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6f n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i s2p3 .25422( 7f//r2// 2p) 1.000xr 0-100 n i s2p2 7f n i s2p2 3p -16.94243( 7f//r2// 3p) -.682xr -16 -93 n i s2p2 7f n i s2p2 4p -52.23552( 7f//r2// 4p) -.378xr -3 -12 n i s2p2 7f n i s2p2 5p -119.54744( 7f//r2// 5p) -.212xr 9 -23 n i s2p2 7f n i s2p2 6p -165.33727( 7f//r2// 6p) -.088xr 27 -45 n i s2p2 7f n i s2p2 7p 5056.32038( 7f//r2// 7p) .971xr 79 -93 n i s2p2 7f n i s2p2 8p -6117.56233( 7f//r2// 8p) -.898xr -49 -62 n i s2p2 7f n i s2p2 9p 373.89664( 7f//r2// 9p) .072xr -11 -18 n i s2p2 7f n i s2p2 4f 35.90694( 7f//r2// 4f) -.160xr 0 0 n i s2p2 7f n i s2p2 5f 210.62086( 7f//r2// 5f) -.223xr 0 0 n i s2p2 7f n i s2p2 6f 1844.50793( 7f//r2// 6f) -.585xr 0 0 n i s2p2 7f n i s2p2 7f -7026.22566( 7f//r2// 7f) 1.000xr 100-100 n i s2p2 7f n i s2p2 8f 3414.70153( 7f//r2// 8f) -.558xr 0 0 n i s2p2 7f n i s2p2 6h -403.26291( 7f//r2// 6h) -.175xr 3 -5 n i s2p2 7f n i s2p2 7h 6296.01948( 7f//r2// 7h) .890xr 48 -59 n i s2p2 7f n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7f n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i s2p3 .21299( 8f//r2// 2p) 1.000xr 0-100 n i s2p2 8f n i s2p2 3p -12.85638( 8f//r2// 3p) -.645xr -13 -92 n i s2p2 8f n i s2p2 4p -38.33092( 8f//r2// 4p) -.348xr -3 -16 n i s2p2 8f n i s2p2 5p -85.44813( 8f//r2// 5p) -.196xr 5 -16 n i s2p2 8f n i s2p2 6p -161.90152( 8f//r2// 6p) -.118xr 14 -31 n i s2p2 8f n i s2p2 7p -125.76477( 8f//r2// 7p) -.033xr 28 -46 n i s2p2 8f n i s2p2 8p 8769.63629( 8f//r2// 8p) .955xr 74 -90 n i s2p2 8f n i s2p2 9p -10886.31097( 8f//r2// 9p) -.911xr -54 -67 n i s2p2 8f n i s2p2 4f 21.73501( 8f//r2// 4f) -.122xr 0 0 n i s2p2 8f n i s2p2 5f 97.94256( 8f//r2// 5f) -.137xr 0 0 n i s2p2 8f n i s2p2 6f 443.08992( 8f//r2// 6f) -.201xr 0 0 n i s2p2 8f n i s2p2 7f 3414.70153( 8f//r2// 7f) -.558xr 0 0 n i s2p2 8f n i s2p2 8f -12454.65039( 8f//r2// 8f) 1.000xr 100-100 n i s2p2 8f n i s2p2 6h -95.00953( 8f//r2// 6h) -.056xr 1 -3 n i s2p2 8f n i s2p2 7h -1168.00367( 8f//r2// 7h) -.210xr 4 -8 n i s2p2 8f n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8f n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i s2p3 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 4f 610.28180( 6h//r2// 4f) 1.000xr 44-100 n i s2p2 6h n i s2p2 5f -2303.04480( 6h//r2// 5f) -.988xr -83 -93 n i s2p2 6h n i s2p2 6f 2437.86033( 6h//r2// 6f) .798xr 33 -43 n i s2p2 6h n i s2p2 7f -403.26291( 6h//r2// 7f) -.175xr 3 -5 n i s2p2 6h n i s2p2 8f -95.00953( 6h//r2// 8f) -.056xr 1 -3 n i s2p2 6h n i s2p2 6h -2750.91725( 6h//r2// 6h) 1.000xr 100-100 n i s2p2 6h n i s2p2 7h 1514.60118( 6h//r2// 7h) -.596xr 0 0 n i s2p2 6h n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6h n i p5 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i s2p3 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 4f 327.59100( 7h//r2// 4f) .818xr 33 -96 n i s2p2 7h n i s2p2 5f 373.57243( 7h//r2// 5f) .247xr -12 -24 n i s2p2 7h n i s2p2 6f -4919.19923( 7h//r2// 6f) -.987xr -79 -94 n i s2p2 7h n i s2p2 7f 6296.01948( 7h//r2// 7f) .890xr 48 -59 n i s2p2 7h n i s2p2 8f -1168.00367( 7h//r2// 8f) -.210xr 4 -8 n i s2p2 7h n i s2p2 6h 1514.60118( 7h//r2// 6h) -.596xr 0 0 n i s2p2 7h n i s2p2 7h -6418.80753( 7h//r2// 7h) 1.000xr 100-100 n i s2p2 7h n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7h n i p5 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p3 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i sp3 3s -2.22251( 2p//r2// 2p) 1.000xr 100-100 n i sp3 3s n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3s n i sp3 3d 42.46739( 3s//r2// 3d) 1.000xr 71 -99 n i sp3 3s n i sp3 4d 9.11478( 3s//r2// 4d) .447xr 34 -88 n i sp3 3s n i sp3 5d 3.70377( 3s//r2// 5d) .273xr 21 -81 n i sp3 3s n i sp3 6d 1.96777( 3s//r2// 6d) .197xr 15 -77 n i sp3 3s n i p5 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p3 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i sp3 4s -2.19314( 2p//r2// 2p) 1.000xr 100-100 n i sp3 4s n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4s n i sp3 3d -136.81568( 4s//r2// 3d) -.974xr -70 -79 n i sp3 4s n i sp3 4d 160.33869( 4s//r2// 4d) .905xr 41 -67 n i sp3 4s n i sp3 5d 41.57316( 4s//r2// 5d) .403xr 25 -63 n i sp3 4s n i sp3 6d 19.21383( 4s//r2// 6d) .262xr 17 -59 n i sp3 4s n i p5 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p3 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i sp3 5s -2.18721( 2p//r2// 2p) 1.000xr 100-100 n i sp3 5s n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5s n i sp3 3d 58.53275( 5s//r2// 3d) .508xr -4 -7 n i sp3 5s n i sp3 4d -515.34490( 5s//r2// 4d) -.992xr -84 -90 n i sp3 5s n i sp3 5d 418.66510( 5s//r2// 5d) .791xr 27 -43 n i sp3 5s n i sp3 6d 112.36675( 5s//r2// 6d) .334xr 18 -43 n i sp3 5s n i p5 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p3 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i sp3 6s -2.18524( 2p//r2// 2p) 1.000xr 100-100 n i sp3 6s n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6s n i sp3 3d 15.58493( 6s//r2// 3d) .222xr -2 -7 n i sp3 6s n i sp3 4d 217.52489( 6s//r2// 4d) .497xr -4 -6 n i sp3 6s n i sp3 5d -1350.09601( 6s//r2// 5d) -.997xr -90 -95 n i sp3 6s n i sp3 6d 898.24245( 6s//r2// 6d) .709xr 18 -29 n i sp3 6s n i p5 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p3 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i sp3 7s -2.18441( 2p//r2// 2p) 1.000xr 100-100 n i sp3 7s n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7s n i sp3 3d 7.95922( 7s//r2// 3d) .158xr -1 -6 n i sp3 7s n i sp3 4d 54.66253( 7s//r2// 4d) .192xr -2 -6 n i sp3 7s n i sp3 5d 564.73957( 7s//r2// 5d) .490xr -3 -5 n i sp3 7s n i sp3 6d -2905.55049( 7s//r2// 6d) -.999xr -93 -97 n i sp3 7s n i p5 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p3 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 8s n i sp3 8s -2.18399( 2p//r2// 2p) 1.000xr 100-100 n i sp3 8s n i sp3 3d 5.11478( 8s//r2// 3d) .132xr -1 -6 n i sp3 8s n i sp3 4d 26.94511( 8s//r2// 4d) .127xr -1 -6 n i sp3 8s n i sp3 5d 135.86542( 8s//r2// 5d) .173xr -2 -5 n i sp3 8s n i sp3 6d 1207.84960( 8s//r2// 6d) .486xr -3 -4 n i sp3 8s n i p5 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p3 -.63524( 3d//r2// 2s)-1.000xr -7-100 n i sp3 3d n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3d n i sp3 3s 42.46739( 3d//r2// 3s) 1.000xr 71 -99 n i sp3 3d n i sp3 4s -136.81568( 3d//r2// 4s) -.974xr -70 -79 n i sp3 3d n i sp3 5s 58.53275( 3d//r2// 5s) .508xr -4 -7 n i sp3 3d n i sp3 6s 15.58493( 3d//r2// 6s) .222xr -2 -7 n i sp3 3d n i sp3 7s 7.95922( 3d//r2// 7s) .158xr -1 -6 n i sp3 3d n i sp3 8s 5.11478( 3d//r2// 8s) .132xr -1 -6 n i sp3 3d n i sp3 3d -145.96842( 3d//r2// 3d) 1.000xr 100-100 n i sp3 3d n i sp3 4d 110.25351( 3d//r2// 4d) -.741xr 0 0 n i sp3 3d n i sp3 5d 28.78386( 3d//r2// 5d) -.324xr 0 -1 n i sp3 3d n i sp3 6d 14.09489( 3d//r2// 6d) -.223xr 0 -1 n i sp3 3d n i p5 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p3 -.46783( 4d//r2// 2s)-1.000xr -5-100 n i sp3 4d n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4d n i sp3 3s 9.11478( 4d//r2// 3s) .447xr 34 -88 n i sp3 4d n i sp3 4s 160.33869( 4d//r2// 4s) .905xr 41 -67 n i sp3 4d n i sp3 5s -515.34490( 4d//r2// 5s) -.992xr -84 -90 n i sp3 4d n i sp3 6s 217.52489( 4d//r2// 6s) .497xr -4 -6 n i sp3 4d n i sp3 7s 54.66253( 4d//r2// 7s) .192xr -2 -6 n i sp3 4d n i sp3 8s 26.94511( 4d//r2// 8s) .127xr -1 -6 n i sp3 4d n i sp3 3d 110.25351( 4d//r2// 3d) -.741xr 0 0 n i sp3 4d n i sp3 4d -582.79445( 4d//r2// 4d) 1.000xr 100-100 n i sp3 4d n i sp3 5d 355.01287( 4d//r2// 5d) -.658xr 0 0 n i sp3 4d n i sp3 6d 91.62792( 4d//r2// 6d) -.264xr 0 0 n i sp3 4d n i p5 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p3 -.35161( 5d//r2// 2s)-1.000xr -4-100 n i sp3 5d n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5d n i sp3 3s 3.70377( 5d//r2// 3s) .273xr 21 -81 n i sp3 5d n i sp3 4s 41.57316( 5d//r2// 4s) .403xr 25 -63 n i sp3 5d n i sp3 5s 418.66510( 5d//r2// 5s) .791xr 27 -43 n i sp3 5d n i sp3 6s -1350.09601( 5d//r2// 6s) -.997xr -90 -95 n i sp3 5d n i sp3 7s 564.73957( 5d//r2// 7s) .490xr -3 -5 n i sp3 5d n i sp3 8s 135.86542( 5d//r2// 8s) .173xr -2 -5 n i sp3 5d n i sp3 3d 28.78386( 5d//r2// 3d) -.324xr 0 -1 n i sp3 5d n i sp3 4d 355.01287( 5d//r2// 4d) -.658xr 0 0 n i sp3 5d n i sp3 5d -1563.53052( 5d//r2// 5d) 1.000xr 100-100 n i sp3 5d n i sp3 6d 845.52061( 5d//r2// 6d) -.606xr 0 0 n i sp3 5d n i p5 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p3 -.27461( 6d//r2// 2s) -.999xr -3-100 n i sp3 6d n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6d n i sp3 3s 1.96777( 6d//r2// 3s) .197xr 15 -77 n i sp3 6d n i sp3 4s 19.21383( 6d//r2// 4s) .262xr 17 -59 n i sp3 6d n i sp3 5s 112.36675( 6d//r2// 5s) .334xr 18 -43 n i sp3 6d n i sp3 6s 898.24245( 6d//r2// 6s) .709xr 18 -29 n i sp3 6d n i sp3 7s -2905.55049( 6d//r2// 7s) -.999xr -93 -97 n i sp3 6d n i sp3 8s 1207.84960( 6d//r2// 8s) .486xr -3 -4 n i sp3 6d n i sp3 3d 14.09489( 6d//r2// 3d) -.223xr 0 -1 n i sp3 6d n i sp3 4d 91.62792( 6d//r2// 4d) -.264xr 0 0 n i sp3 6d n i sp3 5d 845.52061( 6d//r2// 5d) -.606xr 0 0 n i sp3 6d n i sp3 6d -3405.32023( 6d//r2// 6d) 1.000xr 100-100 n i sp3 6d n i p5 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p3 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 3p 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 4p 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 5p 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 6p 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 7p 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 8p 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 9p 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 4f 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 5f 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 6f 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 7f 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 8f 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 6h 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i s2p2 7h 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i sp3 3s 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i sp3 4s 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i sp3 5s 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i sp3 6s 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i sp3 7s 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i sp3 8s 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i sp3 3d 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i sp3 4d 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i sp3 5d 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i sp3 6d 0.00000( //r2// ) 0.000xr 0 0 n i p5 n i p5 -2.88773( 2p//r2// 2p) 1.000xr 100-100 n i s2p2 3s 4 71.28120 73.26711 .09792 2.86824 0.00000xr99999999 n i s2p2 4s 4 91.27490 73.71031 .09872 .76904 0.00000xr99999999 n i s2p2 5s 4 97.47680 73.80361 .09882 .31254 0.00000xr99999999 n i s2p2 6s 4 100.22770 73.83501 .09892 .15674 0.00000xr99999999 n i s2p2 7s 4 101.68800 73.84841 .09892 .08954 0.00000xr99999999 n i s2p2 8s 4 102.55550 73.85511 .09892 .05584 0.00000xr99999999 n i s2p2 9s 4 103.11290 73.85891 .09892 .03724 0.00000xr99999999 n i s2p2 3d 7 92.26150 73.84091 .09892 .00002 1.15473xr99999999 .22794 .12714 n i s2p2 4d 7 97.82220 73.85091 .09892 .00002 .51863xr99999999 .14554 .08134 n i s2p2 5d 7 100.38940 73.85711 .09892 .00002 .27593xr99999999 .08894 .04984 n i s2p2 6d 7 101.77700 73.86051 .09892 .00002 .16383xr99999999 .05674 .03184 n i s2p2 7d 7 102.61000 73.86251 .09892 .00002 .10513xr99999999 .03804 .02134 n i s2p2 8d 7 103.14870 73.86361 .09892 .00002 .07143xr99999999 .02664 .01494 n i s2p2 5g 7 100.50170 73.86631 .09892 .00002 .03843xr99999999 .00004 .00004 n i s2p2 6g 7 101.84290 73.86631 .09892 .00002 .02223xr99999999 .00004 .00004 n i sp4 4 106.16530 63.38671 .07762 89.41884 0.00000xr99999999 n i sp3 3p 9 182.19620 72.98161 .09602 .00392 4.53413xr99999999 97.51424 2.43394 3.13594 2.11234 n i sp3 4p 9 194.00340 73.22351 .09652 .00142 1.43633xr99999999 97.71154 .78584 1.00354 .70284 n i sp3 5p 9 198.31090 73.29051 .09662 .00062 .63983xr99999999 97.76664 .35314 .44924 .31974 n i sp3 6p 9 200.38430 73.31641 .09672 .00032 .34063xr99999999 97.78814 .18884 .23984 .17214 n i sp3 7p 9 201.54300 73.32851 .09672 .00022 .20283xr99999999 97.79814 .11284 .14314 .10324 n i sp3 4f 9 197.44880 73.34661 .09672 .00002 .16293xr99999999 97.81324 .00034 .00094 .00064 n i sp3 5f 9 199.92320 73.34671 .09672 .00002 .08363xr99999999 97.81324 .00034 .00084 .00054 n i sp3 6f 9 201.26900 73.34671 .09672 .00002 .04853xr99999999 97.81324 .00024 .00064 .00044 s2p2 3s -s2p2 4s 2 0.00005 1.48135 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 5s 2 0.00005 .94265 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 6s 2 0.00005 .66695 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 7s 2 0.00005 .50375 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 8s 2 0.00005 .39775 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 9s 2 0.00005 .32435 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 3d 2 1.84865 -.02525 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 4d 2 1.26055 -.03455 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 5d 2 .91435 -.03235 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 6d 2 .69995 -.02825 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 7d 2 .55765 -.02435 0.00005 0.00005 0.00005xr99999999 s2p2 3s -s2p2 8d 2 .45765 -.02105 0.00005 0.00005 0.00005xr99999999 s2p2 3s -sp4 1 8.01125 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 3s -sp3 3p 2 11.74915 2.34105 0.00005 0.00005 0.00005xr99999999 s2p2 3s -sp3 4p 2 5.67965 1.36345 0.00005 0.00005 0.00005xr99999999 s2p2 3s -sp3 5p 2 3.62765 .92185 0.00005 0.00005 0.00005xr99999999 s2p2 3s -sp3 6p 2 2.59235 .67705 0.00005 0.00005 0.00005xr99999999 s2p2 3s -sp3 7p 2 1.97645 .52455 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 5s 2 0.00005 .49015 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 6s 2 0.00005 .34705 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 7s 2 0.00005 .26225 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 8s 2 0.00005 .20715 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 9s 2 0.00005 .16895 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 3d 2 .37325 -.00625 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 4d 2 .43625 -.01185 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 5d 2 .35185 -.01185 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 6d 2 .28185 -.01055 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 7d 2 .23025 -.00925 0.00005 0.00005 0.00005xr99999999 s2p2 4s -s2p2 8d 2 .19195 -.00815 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp4 1 4.06625 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 3p 2 2.98945 1.19715 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 4p 2 3.47915 .69915 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 5p 2 2.15865 .47325 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 6p 2 1.53535 .34775 0.00005 0.00005 0.00005xr99999999 s2p2 4s -sp3 7p 2 1.16925 .26955 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 6s 2 0.00005 .22135 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 7s 2 0.00005 .16725 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 8s 2 0.00005 .13215 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 9s 2 0.00005 .10775 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 3d 2 .22705 -.00235 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 4d 2 .19045 -.00615 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 5d 2 .17845 -.00635 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 6d 2 .14925 -.00585 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 7d 2 .12445 -.00515 0.00005 0.00005 0.00005xr99999999 s2p2 5s -s2p2 8d 2 .10505 -.00455 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp4 1 2.56895 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 3p 2 1.74865 .75895 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 4p 2 1.34115 .44365 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 5p 2 1.46315 .30045 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 6p 2 1.02315 .22085 0.00005 0.00005 0.00005xr99999999 s2p2 5s -sp3 7p 2 .77735 .17115 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 7s 2 0.00005 .11845 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 8s 2 0.00005 .09355 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 9s 2 0.00005 .07635 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 3d 2 .15465 -.00105 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 4d 2 .13135 -.00385 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 5d 2 .10535 -.00415 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 6d 2 .09295 -.00375 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 7d 2 .07895 -.00335 0.00005 0.00005 0.00005xr99999999 s2p2 6s -s2p2 8d 2 .06725 -.00295 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp4 1 1.81115 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp3 3p 2 1.18995 .53605 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp3 4p 2 .88715 .31345 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp3 5p 2 .70305 .21235 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp3 6p 2 .74645 .15615 0.00005 0.00005 0.00005xr99999999 s2p2 6s -sp3 7p 2 .56045 .12105 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 8s 2 0.00005 .07075 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 9s 2 0.00005 .05775 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 3d 2 .11405 -.00055 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 4d 2 .09685 -.00265 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 5d 2 .07825 -.00295 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 6d 2 .06355 -.00275 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 7d 2 .05525 -.00245 0.00005 0.00005 0.00005xr99999999 s2p2 7s -s2p2 8d 2 .04745 -.00215 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp4 1 1.36525 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp3 3p 2 .87895 .40445 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp3 4p 2 .64735 .23665 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp3 5p 2 .50255 .16025 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp3 6p 2 .41155 .11785 0.00005 0.00005 0.00005xr99999999 s2p2 7s -sp3 7p 2 .43055 .09135 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 9s 2 0.00005 .04555 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 3d 2 .08855 -.00035 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 4d 2 .07515 -.00205 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 5d 2 .06085 -.00225 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 6d 2 .04965 -.00215 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 7d 2 .04105 -.00185 0.00005 0.00005 0.00005xr99999999 s2p2 8s -s2p2 8d 2 .03565 -.00165 0.00005 0.00005 0.00005xr99999999 s2p2 8s -sp4 1 1.07675 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 8s -sp3 3p 2 .68395 .31915 0.00005 0.00005 0.00005xr99999999 s2p2 8s -sp3 4p 2 .50055 .18675 0.00005 0.00005 0.00005xr99999999 s2p2 8s -sp3 5p 2 .38505 .12655 0.00005 0.00005 0.00005xr99999999 s2p2 8s -sp3 6p 2 .31025 .09305 0.00005 0.00005 0.00005xr99999999 s2p2 8s -sp3 7p 2 .26085 .07215 0.00005 0.00005 0.00005xr99999999 s2p2 9s -s2p2 3d 2 .07135 -.00025 0.00005 0.00005 0.00005xr99999999 s2p2 9s -s2p2 4d 2 .06055 -.00165 0.00005 0.00005 0.00005xr99999999 s2p2 9s -s2p2 5d 2 .04895 -.00175 0.00005 0.00005 0.00005xr99999999 s2p2 9s -s2p2 6d 2 .03995 -.00165 0.00005 0.00005 0.00005xr99999999 s2p2 9s -s2p2 7d 2 .03315 -.00155 0.00005 0.00005 0.00005xr99999999 s2p2 9s -s2p2 8d 2 .02795 -.00135 0.00005 0.00005 0.00005xr99999999 s2p2 9s -sp4 1 .87735 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 9s -sp3 3p 2 .55195 .26015 0.00005 0.00005 0.00005xr99999999 s2p2 9s -sp3 4p 2 .40245 .15225 0.00005 0.00005 0.00005xr99999999 s2p2 9s -sp3 5p 2 .30805 .10315 0.00005 0.00005 0.00005xr99999999 s2p2 9s -sp3 6p 2 .24635 .07585 0.00005 0.00005 0.00005xr99999999 s2p2 9s -sp3 7p 2 .20435 .05885 0.00005 0.00005 0.00005xr99999999 s2p2 3d -s2p2 4d 4 0.00005 .67735 .18205 .10165 0.00005xr99999999 s2p2 3d -s2p2 5d 4 0.00005 .47195 .14225 .07945 0.00005xr99999999 s2p2 3d -s2p2 6d 4 0.00005 .35505 .11355 .06345 0.00005xr99999999 s2p2 3d -s2p2 7d 4 0.00005 .28025 .09295 .05195 0.00005xr99999999 s2p2 3d -s2p2 8d 4 0.00005 .22865 .07775 .04345 0.00005xr99999999 s2p2 3d -s2p2 5g 2 .06885 .00055 0.00005 0.00005 0.00005xr99999999 s2p2 3d -s2p2 6g 2 .06455 .00055 0.00005 0.00005 0.00005xr99999999 s2p2 3d -sp4 1 -4.08555 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 3d -sp3 3p 2 4.89535 -.34635 0.00005 0.00005 0.00005xr99999999 s2p2 3d -sp3 4p 2 .80605 -.17745 0.00005 0.00005 0.00005xr99999999 s2p2 3d -sp3 5p 2 .50305 -.11375 0.00005 0.00005 0.00005xr99999999 s2p2 3d -sp3 6p 2 .34825 -.08125 0.00005 0.00005 0.00005xr99999999 s2p2 3d -sp3 7p 2 .25975 -.06185 0.00005 0.00005 0.00005xr99999999 s2p2 3d -sp3 4f 2 -1.64395 -.00695 0.00005 0.00005 0.00005xr99999999 s2p2 3d -sp3 5f 2 -1.15065 -.00645 0.00005 0.00005 0.00005xr99999999 s2p2 3d -sp3 6f 2 -.85985 -.00555 0.00005 0.00005 0.00005xr99999999 s2p2 4d -s2p2 5d 4 0.00005 .36155 .11375 .06365 0.00005xr99999999 s2p2 4d -s2p2 6d 4 0.00005 .27315 .09085 .05095 0.00005xr99999999 s2p2 4d -s2p2 7d 4 0.00005 .21615 .07445 .04165 0.00005xr99999999 s2p2 4d -s2p2 8d 4 0.00005 .17675 .06225 .03485 0.00005xr99999999 s2p2 4d -s2p2 5g 2 -.01785 .00045 0.00005 0.00005 0.00005xr99999999 s2p2 4d -s2p2 6g 2 -.00345 .00045 0.00005 0.00005 0.00005xr99999999 s2p2 4d -sp4 1 -3.28315 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 4d -sp3 3p 2 2.69275 -.28835 0.00005 0.00005 0.00005xr99999999 s2p2 4d -sp3 4p 2 1.60155 -.14845 0.00005 0.00005 0.00005xr99999999 s2p2 4d -sp3 5p 2 .45495 -.09525 0.00005 0.00005 0.00005xr99999999 s2p2 4d -sp3 6p 2 .31845 -.06815 0.00005 0.00005 0.00005xr99999999 s2p2 4d -sp3 7p 2 .23635 -.05195 0.00005 0.00005 0.00005xr99999999 s2p2 4d -sp3 4f 2 .02385 -.00545 0.00005 0.00005 0.00005xr99999999 s2p2 4d -sp3 5f 2 -.46745 -.00515 0.00005 0.00005 0.00005xr99999999 s2p2 4d -sp3 6f 2 -.41725 -.00445 0.00005 0.00005 0.00005xr99999999 s2p2 5d -s2p2 6d 4 0.00005 .20825 .07105 .03985 0.00005xr99999999 s2p2 5d -s2p2 7d 4 0.00005 .16505 .05815 .03265 0.00005xr99999999 s2p2 5d -s2p2 8d 4 0.00005 .13515 .04865 .02735 0.00005xr99999999 s2p2 5d -s2p2 5g 2 -.00035 .00035 0.00005 0.00005 0.00005xr99999999 s2p2 5d -s2p2 6g 2 -.00655 .00035 0.00005 0.00005 0.00005xr99999999 s2p2 5d -sp4 1 -2.57315 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 5d -sp3 3p 2 1.78725 -.22955 0.00005 0.00005 0.00005xr99999999 s2p2 5d -sp3 4p 2 1.11875 -.11845 0.00005 0.00005 0.00005xr99999999 s2p2 5d -sp3 5p 2 .71085 -.07615 0.00005 0.00005 0.00005xr99999999 s2p2 5d -sp3 6p 2 .26835 -.05445 0.00005 0.00005 0.00005xr99999999 s2p2 5d -sp3 7p 2 .20155 -.04155 0.00005 0.00005 0.00005xr99999999 s2p2 5d -sp3 4f 2 -.04595 -.00425 0.00005 0.00005 0.00005xr99999999 s2p2 5d -sp3 5f 2 .01905 -.00405 0.00005 0.00005 0.00005xr99999999 s2p2 5d -sp3 6f 2 -.17235 -.00345 0.00005 0.00005 0.00005xr99999999 s2p2 6d -s2p2 7d 4 0.00005 .12975 .04655 .02615 0.00005xr99999999 s2p2 6d -s2p2 8d 4 0.00005 .10625 .03895 .02185 0.00005xr99999999 s2p2 6d -s2p2 5g 2 -.00005 .00025 0.00005 0.00005 0.00005xr99999999 s2p2 6d -s2p2 6g 2 -.00035 .00025 0.00005 0.00005 0.00005xr99999999 s2p2 6d -sp4 1 -2.05865 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 6d -sp3 3p 2 1.30395 -.18535 0.00005 0.00005 0.00005xr99999999 s2p2 6d -sp3 4p 2 .83475 -.09575 0.00005 0.00005 0.00005xr99999999 s2p2 6d -sp3 5p 2 .55015 -.06155 0.00005 0.00005 0.00005xr99999999 s2p2 6d -sp3 6p 2 .37475 -.04405 0.00005 0.00005 0.00005xr99999999 s2p2 6d -sp3 7p 2 .16905 -.03355 0.00005 0.00005 0.00005xr99999999 s2p2 6d -sp3 4f 2 -.03765 -.00345 0.00005 0.00005 0.00005xr99999999 s2p2 6d -sp3 5f 2 -.02715 -.00325 0.00005 0.00005 0.00005xr99999999 s2p2 6d -sp3 6f 2 .01395 -.00275 0.00005 0.00005 0.00005xr99999999 s2p2 7d -s2p2 8d 4 0.00005 .08605 .03185 .01795 0.00005xr99999999 s2p2 7d -s2p2 5g 2 .00005 .00025 0.00005 0.00005 0.00005xr99999999 s2p2 7d -s2p2 6g 2 -.00015 .00025 0.00005 0.00005 0.00005xr99999999 s2p2 7d -sp4 1 -1.68685 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 7d -sp3 3p 2 1.00815 -.15275 0.00005 0.00005 0.00005xr99999999 s2p2 7d -sp3 4p 2 .65375 -.07895 0.00005 0.00005 0.00005xr99999999 s2p2 7d -sp3 5p 2 .43765 -.05075 0.00005 0.00005 0.00005xr99999999 s2p2 7d -sp3 6p 2 .30705 -.03635 0.00005 0.00005 0.00005xr99999999 s2p2 7d -sp3 7p 2 .22085 -.02775 0.00005 0.00005 0.00005xr99999999 s2p2 7d -sp3 4f 2 -.02975 -.00285 0.00005 0.00005 0.00005xr99999999 s2p2 7d -sp3 5f 2 -.02515 -.00265 0.00005 0.00005 0.00005xr99999999 s2p2 7d -sp3 6f 2 -.01535 -.00225 0.00005 0.00005 0.00005xr99999999 s2p2 8d -s2p2 5g 2 .00015 .00015 0.00005 0.00005 0.00005xr99999999 s2p2 8d -s2p2 6g 2 -.00005 .00025 0.00005 0.00005 0.00005xr99999999 s2p2 8d -sp4 1 -1.41155 0.00005 0.00005 0.00005 0.00005xr99999999 s2p2 8d -sp3 3p 2 .81085 -.12825 0.00005 0.00005 0.00005xr99999999 s2p2 8d -sp3 4p 2 .53025 -.06635 0.00005 0.00005 0.00005xr99999999 s2p2 8d -sp3 5p 2 .35805 -.04265 0.00005 0.00005 0.00005xr99999999 s2p2 8d -sp3 6p 2 .25445 -.03055 0.00005 0.00005 0.00005xr99999999 s2p2 8d -sp3 7p 2 .18775 -.02335 0.00005 0.00005 0.00005xr99999999 s2p2 8d -sp3 4f 2 -.02395 -.00235 0.00005 0.00005 0.00005xr99999999 s2p2 8d -sp3 5f 2 -.02125 -.00225 0.00005 0.00005 0.00005xr99999999 s2p2 8d -sp3 6f 2 -.01565 -.00185 0.00005 0.00005 0.00005xr99999999 s2p2 5g -s2p2 6g 4 0.00005 .02225 .00005 .00005 0.00005xr99999999 s2p2 5g -sp3 4f 2 -.60765 -.00005 0.00005 0.00005 0.00005xr99999999 s2p2 5g -sp3 5f 2 .00015 -.00005 0.00005 0.00005 0.00005xr99999999 s2p2 5g -sp3 6f 2 -.02045 -.00005 0.00005 0.00005 0.00005xr99999999 s2p2 6g -sp3 4f 2 -.42885 -.00005 0.00005 0.00005 0.00005xr99999999 s2p2 6g -sp3 5f 2 -.22825 -.00005 0.00005 0.00005 0.00005xr99999999 s2p2 6g -sp3 6f 2 .00015 -.00005 0.00005 0.00005 0.00005xr99999999 sp4 -sp3 3p 4 2.23435 13.16075 2.37505 9.34825 0.00005xr99999999 sp4 -sp3 4p 4 1.23935 7.27955 1.32275 5.18775 0.00005xr99999999 sp4 -sp3 5p 4 .82185 4.82235 .87885 3.44185 0.00005xr99999999 sp4 -sp3 6p 4 .59765 3.50475 .63975 2.50365 0.00005xr99999999 sp4 -sp3 7p 4 .46025 2.69845 .49305 1.92865 0.00005xr99999999 sp4 -sp3 4f 1 .14185 0.00005 0.00005 0.00005 0.00005xr99999999 sp4 -sp3 5f 1 .13225 0.00005 0.00005 0.00005 0.00005xr99999999 sp4 -sp3 6f 1 .11325 0.00005 0.00005 0.00005 0.00005xr99999999 sp3 3p -sp3 4p 6 0.00005 1.38105 0.00005 2.30105 1.77205xr99999999 1.21625 sp3 3p -sp3 5p 6 0.00005 .92445 0.00005 1.49615 1.18435xr99999999 .81895 sp3 3p -sp3 6p 6 0.00005 .67555 0.00005 1.07855 .86485xr99999999 .60015 sp3 3p -sp3 7p 6 0.00005 .52175 0.00005 .82665 .66775xr99999999 .46445 sp3 3p -sp3 4f 2 -.34015 -.00125 0.00005 0.00005 0.00005xr99999999 sp3 3p -sp3 5f 2 -.28335 -.00085 0.00005 0.00005 0.00005xr99999999 sp3 3p -sp3 6f 2 -.22885 -.00065 0.00005 0.00005 0.00005xr99999999 sp3 4p -sp3 5p 6 0.00005 .52665 0.00005 .92355 .67135xr99999999 .47395 sp3 4p -sp3 6p 6 0.00005 .38505 0.00005 .66525 .49045xr99999999 .34765 sp3 4p -sp3 7p 6 0.00005 .29755 0.00005 .50985 .37875xr99999999 .26915 sp3 4p -sp3 4f 2 .01115 -.00175 0.00005 0.00005 0.00005xr99999999 sp3 4p -sp3 5f 2 -.03625 -.00145 0.00005 0.00005 0.00005xr99999999 sp3 4p -sp3 6f 2 -.04285 -.00115 0.00005 0.00005 0.00005xr99999999 sp3 5p -sp3 6p 6 0.00005 .25825 0.00005 .45865 .32825xr99999999 .23465 sp3 5p -sp3 7p 6 0.00005 .19955 0.00005 .35145 .25355xr99999999 .18165 sp3 5p -sp3 4f 2 -.01335 -.00145 0.00005 0.00005 0.00005xr99999999 sp3 5p -sp3 5f 2 -.00265 -.00125 0.00005 0.00005 0.00005xr99999999 sp3 5p -sp3 6f 2 -.01015 -.00105 0.00005 0.00005 0.00005xr99999999 sp3 6p -sp3 7p 6 0.00005 .14605 0.00005 .26035 .18535xr99999999 .13335 sp3 6p -sp3 4f 2 -.01035 -.00115 0.00005 0.00005 0.00005xr99999999 sp3 6p -sp3 5f 2 -.00905 -.00105 0.00005 0.00005 0.00005xr99999999 sp3 6p -sp3 6f 2 -.00415 -.00085 0.00005 0.00005 0.00005xr99999999 sp3 7p -sp3 4f 2 -.00805 -.00095 0.00005 0.00005 0.00005xr99999999 sp3 7p -sp3 5f 2 -.00735 -.00085 0.00005 0.00005 0.00005xr99999999 sp3 7p -sp3 6f 2 -.00595 -.00075 0.00005 0.00005 0.00005xr99999999 sp3 4f -sp3 5f 6 0.00005 .00035 0.00005 .09485 .00095xr99999999 .00065 sp3 4f -sp3 6f 6 0.00005 .00035 0.00005 .06675 .00075xr99999999 .00055 sp3 5f -sp3 6f 6 0.00005 .00025 0.00005 .05855 .00075xr99999999 .00045 n i s2p2 3s n i s2p2 3s -2.19385( 2p//r2// 2p) 1.000xr 100-100 n i s2p2 3s n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i s2p2 3d 42.63125( 3s//r2// 3d) 1.000xr 71 -99 n i s2p2 3s n i s2p2 4d 9.15689( 3s//r2// 4d) .447xr 34 -88 n i s2p2 3s n i s2p2 5d 3.74158( 3s//r2// 5d) .274xr 21 -81 n i s2p2 3s n i s2p2 6d 2.00281( 3s//r2// 6d) .199xr 15 -77 n i s2p2 3s n i s2p2 7d 1.24286( 3s//r2// 7d) .159xr 11 -75 n i s2p2 3s n i s2p2 8d .84613( 3s//r2// 8d) .134xr 9 -73 n i s2p2 3s n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3s n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i s2p2 4s -2.16480( 2p//r2// 2p) 1.000xr 100-100 n i s2p2 4s n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i s2p2 3d -137.12363( 4s//r2// 3d) -.974xr -70 -79 n i s2p2 4s n i s2p2 4d 160.84848( 4s//r2// 4d) .905xr 41 -67 n i s2p2 4s n i s2p2 5d 41.71291( 4s//r2// 5d) .404xr 25 -63 n i s2p2 4s n i s2p2 6d 19.32055( 4s//r2// 6d) .263xr 17 -59 n i s2p2 4s n i s2p2 7d 11.42164( 4s//r2// 7d) .202xr 13 -57 n i s2p2 4s n i s2p2 8d 7.70151( 4s//r2// 8d) .170xr 10 -56 n i s2p2 4s n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4s n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i s2p2 5s -2.15897( 2p//r2// 2p) 1.000xr 100-100 n i s2p2 5s n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i s2p2 3d 58.40995( 5s//r2// 3d) .506xr -4 -7 n i s2p2 5s n i s2p2 4d -516.61789( 5s//r2// 4d) -.992xr -84 -90 n i s2p2 5s n i s2p2 5d 419.59741( 5s//r2// 5d) .791xr 27 -43 n i s2p2 5s n i s2p2 6d 112.67983( 5s//r2// 6d) .334xr 18 -42 n i s2p2 5s n i s2p2 7d 53.44981( 5s//r2// 7d) .215xr 13 -41 n i s2p2 5s n i s2p2 8d 32.15962( 5s//r2// 8d) .163xr 10 -40 n i s2p2 5s n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5s n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i s2p2 6s -2.15705( 2p//r2// 2p) 1.000xr 100-100 n i s2p2 6s n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i s2p2 3d 15.58990( 6s//r2// 3d) .222xr -2 -7 n i s2p2 6s n i s2p2 4d 217.59089( 6s//r2// 4d) .497xr -4 -7 n i s2p2 6s n i s2p2 5d -1353.34773( 6s//r2// 5d) -.997xr -90 -95 n i s2p2 6s n i s2p2 6d 899.31494( 6s//r2// 6d) .708xr 18 -29 n i s2p2 6s n i s2p2 7d 241.89878( 6s//r2// 7d) .284xr 13 -29 n i s2p2 6s n i s2p2 8d 114.94855( 6s//r2// 8d) .178xr 10 -29 n i s2p2 6s n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6s n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i s2p2 7s -2.15623( 2p//r2// 2p) 1.000xr 100-100 n i s2p2 7s n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i s2p2 3d 7.96751( 7s//r2// 3d) .158xr -1 -6 n i s2p2 7s n i s2p2 4d 54.74679( 7s//r2// 4d) .192xr -2 -6 n i s2p2 7s n i s2p2 5d 565.79558( 7s//r2// 5d) .490xr -3 -5 n i s2p2 7s n i s2p2 6d -2912.13586( 7s//r2// 6d) -.999xr -93 -97 n i s2p2 7s n i s2p2 7d 1698.40079( 7s//r2// 7d) .650xr 13 -20 n i s2p2 7s n i s2p2 8d 453.28303( 7s//r2// 8d) .249xr 10 -21 n i s2p2 7s n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7s n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i s2p2 8s -2.15582( 2p//r2// 2p) 1.000xr 100-100 n i s2p2 8s n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i s2p2 3d 5.12191( 8s//r2// 3d) .132xr -1 -6 n i s2p2 8s n i s2p2 4d 26.99664( 8s//r2// 4d) .127xr -1 -6 n i s2p2 8s n i s2p2 5d 136.14993( 8s//r2// 5d) .173xr -2 -5 n i s2p2 8s n i s2p2 6d 1211.42010( 8s//r2// 6d) .486xr -3 -4 n i s2p2 8s n i s2p2 7d -5517.22532( 8s//r2// 7d) -.999xr -95 -98 n i s2p2 8s n i s2p2 8d 2933.28951( 8s//r2// 8d) .607xr 10 -14 n i s2p2 8s n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8s n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i s2p2 9s -2.15559( 2p//r2// 2p) 1.000xr 100-100 n i s2p2 9s n i s2p2 3d 3.69077( 9s//r2// 3d) .118xr 0 -6 n i s2p2 9s n i s2p2 4d 16.97582( 9s//r2// 4d) .101xr -1 -5 n i s2p2 9s n i s2p2 5d 65.19300( 9s//r2// 5d) .109xr -1 -5 n i s2p2 9s n i s2p2 6d 281.56330( 9s//r2// 6d) .161xr -2 -4 n i s2p2 9s n i s2p2 7d 2287.03383( 9s//r2// 7d) .485xr -2 -3 n i s2p2 9s n i s2p2 8d -9552.53910( 9s//r2// 8d)-1.000xr -97 -98 n i s2p2 9s n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 9s n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3d n i s2p2 3s 42.63125( 3d//r2// 3s) 1.000xr 71 -99 n i s2p2 3d n i s2p2 4s -137.12363( 3d//r2// 4s) -.974xr -70 -79 n i s2p2 3d n i s2p2 5s 58.40995( 3d//r2// 5s) .506xr -4 -7 n i s2p2 3d n i s2p2 6s 15.58990( 3d//r2// 6s) .222xr -2 -7 n i s2p2 3d n i s2p2 7s 7.96751( 3d//r2// 7s) .158xr -1 -6 n i s2p2 3d n i s2p2 8s 5.12191( 3d//r2// 8s) .132xr -1 -6 n i s2p2 3d n i s2p2 9s 3.69077( 3d//r2// 9s) .118xr 0 -6 n i s2p2 3d n i s2p2 3d -146.30711( 3d//r2// 3d) 1.000xr 100-100 n i s2p2 3d n i s2p2 4d 110.28498( 3d//r2// 4d) -.740xr 0 0 n i s2p2 3d n i s2p2 5d 28.86136( 3d//r2// 5d) -.325xr 0 -1 n i s2p2 3d n i s2p2 6d 14.16252( 3d//r2// 6d) -.224xr 0 -1 n i s2p2 3d n i s2p2 7d 8.82574( 3d//r2// 7d) -.181xr 0 -1 n i s2p2 3d n i s2p2 8d 6.21412( 3d//r2// 8d) -.158xr 0 -1 n i s2p2 3d n i s2p2 5g 173.43999( 3d//r2// 5g) 1.000xr 34-100 n i s2p2 3d n i s2p2 6g 100.54575( 3d//r2// 6g) .891xr 26 -98 n i s2p2 3d n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3d n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3d n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3d n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3d n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3d n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3d n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3d n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 3d n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4d n i s2p2 3s 9.15689( 4d//r2// 3s) .447xr 34 -88 n i s2p2 4d n i s2p2 4s 160.84848( 4d//r2// 4s) .905xr 41 -67 n i s2p2 4d n i s2p2 5s -516.61789( 4d//r2// 5s) -.992xr -84 -90 n i s2p2 4d n i s2p2 6s 217.59089( 4d//r2// 6s) .497xr -4 -7 n i s2p2 4d n i s2p2 7s 54.74679( 4d//r2// 7s) .192xr -2 -6 n i s2p2 4d n i s2p2 8s 26.99664( 4d//r2// 8s) .127xr -1 -6 n i s2p2 4d n i s2p2 9s 16.97582( 4d//r2// 9s) .101xr -1 -5 n i s2p2 4d n i s2p2 3d 110.28498( 4d//r2// 3d) -.740xr 0 0 n i s2p2 4d n i s2p2 4d -584.30184( 4d//r2// 4d) 1.000xr 100-100 n i s2p2 4d n i s2p2 5d 355.30971( 4d//r2// 5d) -.657xr 0 0 n i s2p2 4d n i s2p2 6d 91.84486( 4d//r2// 6d) -.264xr 0 0 n i s2p2 4d n i s2p2 7d 44.49441( 4d//r2// 7d) -.173xr 0 -1 n i s2p2 4d n i s2p2 8d 27.47360( 4d//r2// 8d) -.135xr 0 -1 n i s2p2 4d n i s2p2 5g -913.57035( 4d//r2// 5g) -.995xr -84 -96 n i s2p2 4d n i s2p2 6g 49.35704( 4d//r2// 6g) .089xr -23 -46 n i s2p2 4d n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4d n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4d n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4d n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4d n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4d n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4d n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4d n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 4d n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5d n i s2p2 3s 3.74158( 5d//r2// 3s) .274xr 21 -81 n i s2p2 5d n i s2p2 4s 41.71291( 5d//r2// 4s) .404xr 25 -63 n i s2p2 5d n i s2p2 5s 419.59741( 5d//r2// 5s) .791xr 27 -43 n i s2p2 5d n i s2p2 6s -1353.34773( 5d//r2// 6s) -.997xr -90 -95 n i s2p2 5d n i s2p2 7s 565.79558( 5d//r2// 7s) .490xr -3 -5 n i s2p2 5d n i s2p2 8s 136.14993( 5d//r2// 8s) .173xr -2 -5 n i s2p2 5d n i s2p2 9s 65.19300( 5d//r2// 9s) .109xr -1 -5 n i s2p2 5d n i s2p2 3d 28.86136( 5d//r2// 3d) -.325xr 0 -1 n i s2p2 5d n i s2p2 4d 355.30971( 5d//r2// 4d) -.657xr 0 0 n i s2p2 5d n i s2p2 5d -1567.51210( 5d//r2// 5d) 1.000xr 100-100 n i s2p2 5d n i s2p2 6d 846.47484( 5d//r2// 6d) -.606xr 0 0 n i s2p2 5d n i s2p2 7d 214.21767( 5d//r2// 7d) -.227xr 0 0 n i s2p2 5d n i s2p2 8d 102.09439( 5d//r2// 8d) -.143xr 0 0 n i s2p2 5d n i s2p2 5g 1217.41599( 5d//r2// 5g) .863xr 42 -53 n i s2p2 5d n i s2p2 6g -2117.00760( 5d//r2// 6g) -.975xr -73 -92 n i s2p2 5d n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5d n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5d n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5d n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5d n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5d n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5d n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5d n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5d n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6d n i s2p2 3s 2.00281( 6d//r2// 3s) .199xr 15 -77 n i s2p2 6d n i s2p2 4s 19.32055( 6d//r2// 4s) .263xr 17 -59 n i s2p2 6d n i s2p2 5s 112.67983( 6d//r2// 5s) .334xr 18 -42 n i s2p2 6d n i s2p2 6s 899.31494( 6d//r2// 6s) .708xr 18 -29 n i s2p2 6d n i s2p2 7s -2912.13586( 6d//r2// 7s) -.999xr -93 -97 n i s2p2 6d n i s2p2 8s 1211.42010( 6d//r2// 8s) .486xr -3 -4 n i s2p2 6d n i s2p2 9s 281.56330( 6d//r2// 9s) .161xr -2 -4 n i s2p2 6d n i s2p2 3d 14.16252( 6d//r2// 3d) -.224xr 0 -1 n i s2p2 6d n i s2p2 4d 91.84486( 6d//r2// 4d) -.264xr 0 0 n i s2p2 6d n i s2p2 5d 846.47484( 6d//r2// 5d) -.606xr 0 0 n i s2p2 6d n i s2p2 6d -3413.59044( 6d//r2// 6d) 1.000xr 100-100 n i s2p2 6d n i s2p2 7d 1708.78457( 6d//r2// 7d) -.573xr 0 0 n i s2p2 6d n i s2p2 8d 423.52721( 6d//r2// 8d) -.203xr 0 0 n i s2p2 6d n i s2p2 5g -264.88164( 6d//r2// 5g) -.248xr 3 -7 n i s2p2 6d n i s2p2 6g 3392.77823( 6d//r2// 6g) .936xr 59 -70 n i s2p2 6d n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6d n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6d n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6d n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6d n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6d n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6d n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6d n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6d n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7d n i s2p2 3s 1.24286( 7d//r2// 3s) .159xr 11 -75 n i s2p2 7d n i s2p2 4s 11.42164( 7d//r2// 4s) .202xr 13 -57 n i s2p2 7d n i s2p2 5s 53.44981( 7d//r2// 5s) .215xr 13 -41 n i s2p2 7d n i s2p2 6s 241.89878( 7d//r2// 6s) .284xr 13 -29 n i s2p2 7d n i s2p2 7s 1698.40079( 7d//r2// 7s) .650xr 13 -20 n i s2p2 7d n i s2p2 8s -5517.22532( 7d//r2// 8s) -.999xr -95 -98 n i s2p2 7d n i s2p2 9s 2287.03383( 7d//r2// 9s) .485xr -2 -3 n i s2p2 7d n i s2p2 3d 8.82574( 7d//r2// 3d) -.181xr 0 -1 n i s2p2 7d n i s2p2 4d 44.49441( 7d//r2// 4d) -.173xr 0 -1 n i s2p2 7d n i s2p2 5d 214.21767( 7d//r2// 5d) -.227xr 0 0 n i s2p2 7d n i s2p2 6d 1708.78457( 7d//r2// 6d) -.573xr 0 0 n i s2p2 7d n i s2p2 7d -6511.67381( 7d//r2// 7d) 1.000xr 100-100 n i s2p2 7d n i s2p2 8d 3092.14951( 7d//r2// 8d) -.549xr 0 0 n i s2p2 7d n i s2p2 5g -65.00213( 7d//r2// 5g) -.087xr 1 -4 n i s2p2 7d n i s2p2 6g -821.96905( 7d//r2// 6g) -.286xr 5 -8 n i s2p2 7d n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7d n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7d n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7d n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7d n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7d n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7d n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7d n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 7d n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8d n i s2p2 3s .84613( 8d//r2// 3s) .134xr 9 -73 n i s2p2 8d n i s2p2 4s 7.70151( 8d//r2// 4s) .170xr 10 -56 n i s2p2 8d n i s2p2 5s 32.15962( 8d//r2// 5s) .163xr 10 -40 n i s2p2 8d n i s2p2 6s 114.94855( 8d//r2// 6s) .178xr 10 -29 n i s2p2 8d n i s2p2 7s 453.28303( 8d//r2// 7s) .249xr 10 -21 n i s2p2 8d n i s2p2 8s 2933.28951( 8d//r2// 8s) .607xr 10 -14 n i s2p2 8d n i s2p2 9s -9552.53910( 8d//r2// 9s)-1.000xr -97 -98 n i s2p2 8d n i s2p2 3d 6.21412( 8d//r2// 3d) -.158xr 0 -1 n i s2p2 8d n i s2p2 4d 27.47360( 8d//r2// 4d) -.135xr 0 -1 n i s2p2 8d n i s2p2 5d 102.09439( 8d//r2// 5d) -.143xr 0 0 n i s2p2 8d n i s2p2 6d 423.52721( 8d//r2// 6d) -.203xr 0 0 n i s2p2 8d n i s2p2 7d 3092.14951( 8d//r2// 7d) -.549xr 0 0 n i s2p2 8d n i s2p2 8d -11322.49764( 8d//r2// 8d) 1.000xr 100-100 n i s2p2 8d n i s2p2 5g -30.50891( 8d//r2// 5g) -.053xr 1 -3 n i s2p2 8d n i s2p2 6g -196.56228( 8d//r2// 6g) -.095xr 2 -6 n i s2p2 8d n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8d n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8d n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8d n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8d n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8d n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8d n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8d n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 8d n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i s2p2 3d 173.43999( 5g//r2// 3d) 1.000xr 34-100 n i s2p2 5g n i s2p2 4d -913.57035( 5g//r2// 4d) -.995xr -84 -96 n i s2p2 5g n i s2p2 5d 1217.41599( 5g//r2// 5d) .863xr 42 -53 n i s2p2 5g n i s2p2 6d -264.88164( 5g//r2// 6d) -.248xr 3 -7 n i s2p2 5g n i s2p2 7d -65.00213( 5g//r2// 7d) -.087xr 1 -4 n i s2p2 5g n i s2p2 8d -30.50891( 5g//r2// 8d) -.053xr 1 -3 n i s2p2 5g n i s2p2 5g -1261.37276( 5g//r2// 5g) 1.000xr 100-100 n i s2p2 5g n i s2p2 6g 752.74176( 5g//r2// 6g) -.633xr 0 0 n i s2p2 5g n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 5g n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i s2p2 3d 100.54575( 6g//r2// 3d) .891xr 26 -98 n i s2p2 6g n i s2p2 4d 49.35704( 6g//r2// 4d) .089xr -23 -46 n i s2p2 6g n i s2p2 5d -2117.00760( 6g//r2// 5d) -.975xr -73 -92 n i s2p2 6g n i s2p2 6d 3392.77823( 6g//r2// 6d) .936xr 59 -70 n i s2p2 6g n i s2p2 7d -821.96905( 6g//r2// 7d) -.286xr 5 -8 n i s2p2 6g n i s2p2 8d -196.56228( 6g//r2// 8d) -.095xr 2 -6 n i s2p2 6g n i s2p2 5g 752.74176( 6g//r2// 5g) -.633xr 0 0 n i s2p2 6g n i s2p2 6g -3330.01977( 6g//r2// 6g) 1.000xr 100-100 n i s2p2 6g n i sp4 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i sp3 3p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i sp3 4p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i sp3 5p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i sp3 6p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i sp3 7p 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i sp3 4f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i sp3 5f 0.00000( //r2// ) 0.000xr 0 0 n i s2p2 6g n i sp3 6f 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 3d 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 4d 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 5d 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 6d 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 7d 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 8d 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i sp4 n i sp4 -2.93096( 2p//r2// 2p) 1.000xr 100-100 n i sp4 n i sp3 3p 2.34986( 2p//r2// 3p) -.872xr 0 -3 n i sp4 n i sp3 4p 1.07734( 2p//r2// 4p) -.807xr 0 -2 n i sp4 n i sp3 5p .66603( 2p//r2// 5p) -.769xr 0 -2 n i sp4 n i sp3 6p .46730( 2p//r2// 6p) -.749xr 0 -2 n i sp4 n i sp3 7p .35221( 2p//r2// 7p) -.737xr 0 -2 n i sp4 n i sp3 4f .42299( 2p//r2// 4f) 1.000xr 1-100 n i sp4 n i sp3 5f .36334( 2p//r2// 5f) 1.000xr 1-100 n i sp4 n i sp3 6f .29769( 2p//r2// 6f) 1.000xr 0-100 n i sp3 3p n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 3d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 4d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 5d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 6d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 7d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 8d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 3p n i sp4 2.34986( 3p//r2// 2p) -.872xr 0 -3 n i sp3 3p n i sp3 3p -64.83331( 3p//r2// 3p) 1.000xr 100-100 n i sp3 3p n i sp3 4p 47.61816( 3p//r2// 4p) -.744xr 0 -1 n i sp3 3p n i sp3 5p 14.64972( 3p//r2// 5p) -.412xr 0 -1 n i sp3 3p n i sp3 6p 7.84042( 3p//r2// 6p) -.318xr 0 -1 n i sp3 3p n i sp3 7p 5.14669( 3p//r2// 7p) -.277xr 0 -2 n i sp3 3p n i sp3 4f -79.67722( 3p//r2// 4f)-1.000xr -43-100 n i sp3 3p n i sp3 5f -38.75022( 3p//r2// 5f) -.846xr -29 -97 n i sp3 3p n i sp3 6f -24.07063( 3p//r2// 6f) -.740xr -21 -94 n i sp3 4p n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 3d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 4d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 5d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 6d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 7d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 8d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4p n i sp4 1.07734( 4p//r2// 2p) -.807xr 0 -2 n i sp3 4p n i sp3 3p 47.61816( 4p//r2// 3p) -.744xr 0 -1 n i sp3 4p n i sp3 4p -303.55367( 4p//r2// 4p) 1.000xr 100-100 n i sp3 4p n i sp3 5p 182.97165( 4p//r2// 5p) -.658xr 0 0 n i sp3 4p n i sp3 6p 51.93324( 4p//r2// 6p) -.304xr 0 -1 n i sp3 4p n i sp3 7p 26.61863( 4p//r2// 7p) -.215xr 0 -1 n i sp3 4p n i sp3 4f 404.56096( 4p//r2// 4f) .992xr 87 -93 n i sp3 4p n i sp3 5f -125.02114( 4p//r2// 5f) -.448xr 7 -14 n i sp3 4p n i sp3 6f -77.64268( 4p//r2// 6f) -.423xr -1 -4 n i sp3 5p n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 3d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 4d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 5d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 6d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 7d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 8d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5p n i sp4 .66603( 5p//r2// 2p) -.769xr 0 -2 n i sp3 5p n i sp3 3p 14.64972( 5p//r2// 3p) -.412xr 0 -1 n i sp3 5p n i sp3 4p 182.97165( 5p//r2// 4p) -.658xr 0 0 n i sp3 5p n i sp3 5p -902.77052( 5p//r2// 5p) 1.000xr 100-100 n i sp3 5p n i sp3 6p 485.96687( 5p//r2// 6p) -.607xr 0 0 n i sp3 5p n i sp3 7p 130.94202( 5p//r2// 7p) -.249xr 0 0 n i sp3 5p n i sp3 4f -416.54378( 5p//r2// 4f) -.795xr -24 -34 n i sp3 5p n i sp3 5f 1188.95598( 5p//r2// 5f) .997xr 88 -96 n i sp3 5p n i sp3 6f -159.00280( 5p//r2// 6f) -.196xr 22 -39 n i sp3 6p n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 3d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 4d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 5d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 6d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 7d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 8d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6p n i sp4 .46730( 6p//r2// 2p) -.749xr 0 -2 n i sp3 6p n i sp3 3p 7.84042( 6p//r2// 3p) -.318xr 0 -1 n i sp3 6p n i sp3 4p 51.93324( 6p//r2// 4p) -.304xr 0 -1 n i sp3 6p n i sp3 5p 485.96687( 6p//r2// 5p) -.607xr 0 0 n i sp3 6p n i sp3 6p -2111.74834( 6p//r2// 6p) 1.000xr 100-100 n i sp3 6p n i sp3 7p 1056.10219( 6p//r2// 7p) -.573xr 0 0 n i sp3 6p n i sp3 4f 10.89670( 6p//r2// 4f) .031xr -4 -10 n i sp3 6p n i sp3 5f -1322.73470( 6p//r2// 5f) -.845xr -35 -46 n i sp3 6p n i sp3 6f 2642.88557( 6p//r2// 6f) .987xr 84 -95 n i sp3 7p n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 3d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 4d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 5d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 6d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 7d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 8d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 7p n i sp4 .35221( 7p//r2// 2p) -.737xr 0 -2 n i sp3 7p n i sp3 3p 5.14669( 7p//r2// 3p) -.277xr 0 -2 n i sp3 7p n i sp3 4p 26.61863( 7p//r2// 4p) -.215xr 0 -1 n i sp3 7p n i sp3 5p 130.94202( 7p//r2// 5p) -.249xr 0 0 n i sp3 7p n i sp3 6p 1056.10219( 7p//r2// 6p) -.573xr 0 0 n i sp3 7p n i sp3 7p -4245.30351( 7p//r2// 7p) 1.000xr 100-100 n i sp3 7p n i sp3 4f 4.68554( 7p//r2// 4f) .019xr -2 -6 n i sp3 7p n i sp3 5f 54.23345( 7p//r2// 5f) .049xr -7 -14 n i sp3 7p n i sp3 6f -3088.47032( 7p//r2// 6f) -.877xr -43 -55 n i sp3 4f n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 3d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 4d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 5d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 6d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 7d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 8d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 4f n i sp4 .42299( 4f//r2// 2p) 1.000xr 1-100 n i sp3 4f n i sp3 3p -79.67722( 4f//r2// 3p)-1.000xr -43-100 n i sp3 4f n i sp3 4p 404.56096( 4f//r2// 4p) .992xr 87 -93 n i sp3 4f n i sp3 5p -416.54378( 4f//r2// 5p) -.795xr -24 -34 n i sp3 4f n i sp3 6p 10.89670( 4f//r2// 6p) .031xr -4 -10 n i sp3 4f n i sp3 7p 4.68554( 4f//r2// 7p) .019xr -2 -6 n i sp3 4f n i sp3 4f -491.69528( 4f//r2// 4f) 1.000xr 100-100 n i sp3 4f n i sp3 5f 322.83710( 4f//r2// 5f) -.676xr 0 0 n i sp3 4f n i sp3 6f 76.96266( 4f//r2// 6f) -.252xr 0 0 n i sp3 5f n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 3d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 4d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 5d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 6d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 7d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 8d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 5f n i sp4 .36334( 5f//r2// 2p) 1.000xr 1-100 n i sp3 5f n i sp3 3p -38.75022( 5f//r2// 3p) -.846xr -29 -97 n i sp3 5f n i sp3 4p -125.02114( 5f//r2// 4p) -.448xr 7 -14 n i sp3 5f n i sp3 5p 1188.95598( 5f//r2// 5p) .997xr 88 -96 n i sp3 5f n i sp3 6p -1322.73470( 5f//r2// 6p) -.845xr -35 -46 n i sp3 5f n i sp3 7p 54.23345( 5f//r2// 7p) .049xr -7 -14 n i sp3 5f n i sp3 4f 322.83710( 5f//r2// 4f) -.676xr 0 0 n i sp3 5f n i sp3 5f -1536.34171( 5f//r2// 5f) 1.000xr 100-100 n i sp3 5f n i sp3 6f 872.35315( 5f//r2// 6f) -.623xr 0 0 n i sp3 6f n i s2p2 3s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 4s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 5s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 6s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 7s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 8s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 9s 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 3d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 4d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 5d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 6d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 7d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 8d 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 5g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i s2p2 6g 0.00000( //r2// ) 0.000xr 0 0 n i sp3 6f n i sp4 .29769( 6f//r2// 2p) 1.000xr 0-100 n i sp3 6f n i sp3 3p -24.07063( 6f//r2// 3p) -.740xr -21 -94 n i sp3 6f n i sp3 4p -77.64268( 6f//r2// 4p) -.423xr -1 -4 n i sp3 6f n i sp3 5p -159.00280( 6f//r2// 5p) -.196xr 22 -39 n i sp3 6f n i sp3 6p 2642.88557( 6f//r2// 6p) .987xr 84 -95 n i sp3 6f n i sp3 7p -3088.47032( 6f//r2// 7p) -.877xr -43 -55 n i sp3 6f n i sp3 4f 76.96266( 6f//r2// 4f) -.252xr 0 0 n i sp3 6f n i sp3 5f 872.35315( 6f//r2// 5f) -.623xr 0 0 n i sp3 6f n i sp3 6f -3564.13424( 6f//r2// 6f) 1.000xr 100-100 n i s2p3 n i s2p2 3s .68799( 2p//r1// 3s) .730xr 10 -28 n i s2p3 n i s2p2 4s .25774( 2p//r1// 4s) .606xr 3 -21 n i s2p3 n i s2p2 5s .14875( 2p//r1// 5s) .563xr 2 -19 n i s2p3 n i s2p2 6s .10058( 2p//r1// 6s) .543xr 1 -19 n i s2p3 n i s2p2 7s .07404( 2p//r1// 7s) .532xr 1 -18 n i s2p3 n i s2p2 8s .05750( 2p//r1// 8s) .526xr 0 -18 n i s2p3 n i s2p2 9s .04635( 2p//r1// 9s) .521xr 0 -18 n i s2p3 n i s2p2 3d -.52854( 2p//r1// 3d) 1.000xr 10-100 n i s2p3 n i s2p2 4d -.37587( 2p//r1// 4d) .999xr 8-100 n i s2p3 n i s2p2 5d -.27820( 2p//r1// 5d) .997xr 6-100 n i s2p3 n i s2p2 6d -.21548( 2p//r1// 6d) .996xr 4-100 n i s2p3 n i s2p2 7d -.17297( 2p//r1// 7d) .995xr 3-100 n i s2p3 n i s2p2 8d -.14271( 2p//r1// 8d) .994xr 3-100 n i s2p3 n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i s2p3 n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i s2p3 n i sp4 1.34356( 2s//r1// 2p) -.997xr -95 -98 n i s2p3 n i sp3 3p -.09585( 2s//r1// 3p) .250xr -6 -31 n i s2p3 n i sp3 4p -.06307( 2s//r1// 4p) .285xr -3 -27 n i s2p3 n i sp3 5p -.04427( 2s//r1// 5p) .297xr -2 -25 n i s2p3 n i sp3 6p -.03306( 2s//r1// 6p) .302xr -1 -24 n i s2p3 n i sp3 7p -.02583( 2s//r1// 7p) .305xr -1 -24 n i s2p3 n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p3 n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p3 n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i s2p2 3s -5.81107( 3p//r1// 3s)-1.000xr -93-100 n i s2p2 3p n i s2p2 4s 4.78583( 3p//r1// 4s) .772xr 31 -47 n i s2p2 3p n i s2p2 5s 1.14232( 3p//r1// 5s) .342xr 10 -28 n i s2p2 3p n i s2p2 6s .59751( 3p//r1// 6s) .267xr 6 -24 n i s2p2 3p n i s2p2 7s .39149( 3p//r1// 7s) .236xr 4 -22 n i s2p2 3p n i s2p2 8s .28533( 3p//r1// 8s) .221xr 3 -21 n i s2p2 3p n i s2p2 9s .22128( 3p//r1// 9s) .211xr 2 -21 n i s2p2 3p n i s2p2 3d 10.68210( 3p//r1// 3d) -.999xr -88 -99 n i s2p2 3p n i s2p2 4d 1.49962( 3p//r1// 4d) -.275xr -28 -62 n i s2p2 3p n i s2p2 5d .52039( 3p//r1// 5d) -.145xr -15 -50 n i s2p2 3p n i s2p2 6d .24626( 3p//r1// 6d) -.093xr -10 -45 n i s2p2 3p n i s2p2 7d .13631( 3p//r1// 7d) -.066xr -7 -42 n i s2p2 3p n i s2p2 8d .08279( 3p//r1// 8d) -.050xr -5 -40 n i s2p2 3p n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 3p n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i s2p2 3s -.16914( 4p//r1// 3s) -.058xr -21 -48 n i s2p2 4p n i s2p2 4s -12.56208( 4p//r1// 4s) -.989xr -88 -98 n i s2p2 4p n i s2p2 5s 10.52931( 4p//r1// 5s) .778xr 38 -53 n i s2p2 4p n i s2p2 6s 2.30184( 4p//r1// 6s) .282xr 13 -29 n i s2p2 4p n i s2p2 7s 1.16874( 4p//r1// 7s) .203xr 7 -24 n i s2p2 4p n i s2p2 8s .75616( 4p//r1// 8s) .171xr 5 -21 n i s2p2 4p n i s2p2 9s .54823( 4p//r1// 9s) .155xr 3 -20 n i s2p2 4p n i s2p2 3d -11.39660( 4p//r1// 3d) .821xr 44 -57 n i s2p2 4p n i s2p2 4d 20.18577( 4p//r1// 4d) -.967xr -76 -94 n i s2p2 4p n i s2p2 5d 3.60607( 4p//r1// 5d) -.289xr -28 -58 n i s2p2 4p n i s2p2 6d 1.52188( 4p//r1// 6d) -.174xr -17 -47 n i s2p2 4p n i s2p2 7d .85893( 4p//r1// 7d) -.128xr -11 -42 n i s2p2 4p n i s2p2 8d .56143( 4p//r1// 8d) -.104xr -8 -39 n i s2p2 4p n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4p n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i s2p2 3s .01416( 5p//r1// 3s) .008xr -10 -39 n i s2p2 5p n i s2p2 4s -.73160( 5p//r1// 4s) -.099xr -23 -45 n i s2p2 5p n i s2p2 5s -21.69063( 5p//r1// 5s) -.978xr -84 -96 n i s2p2 5p n i s2p2 6s 18.21598( 5p//r1// 6s) .781xr 41 -56 n i s2p2 5p n i s2p2 7s 3.79149( 5p//r1// 7s) .251xr 14 -29 n i s2p2 5p n i s2p2 8s 1.88469( 5p//r1// 8s) .170xr 8 -23 n i s2p2 5p n i s2p2 9s 1.20607( 5p//r1// 9s) .138xr 5 -20 n i s2p2 5p n i s2p2 3d -1.09749( 5p//r1// 3d) .134xr 9 -22 n i s2p2 5p n i s2p2 4d -23.76952( 5p//r1// 4d) .869xr 54 -68 n i s2p2 5p n i s2p2 5d 32.14985( 5p//r1// 5d) -.929xr -70 -88 n i s2p2 5p n i s2p2 6d 6.16749( 5p//r1// 6d) -.274xr -27 -52 n i s2p2 5p n i s2p2 7d 2.74595( 5p//r1// 7d) -.167xr -16 -42 n i s2p2 5p n i s2p2 8d 1.61425( 5p//r1// 8d) -.124xr -11 -37 n i s2p2 5p n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5p n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i s2p2 3s .03882( 6p//r1// 3s) .030xr -7 -36 n i s2p2 6p n i s2p2 4s -.17536( 6p//r1// 4s) -.035xr -12 -36 n i s2p2 6p n i s2p2 5s -1.53290( 6p//r1// 5s) -.108xr -23 -42 n i s2p2 6p n i s2p2 6s -33.22068( 6p//r1// 6s) -.968xr -82 -94 n i s2p2 6p n i s2p2 7s 27.86998( 6p//r1// 7s) .783xr 44 -58 n i s2p2 6p n i s2p2 8s 5.61430( 6p//r1// 8s) .230xr 15 -29 n i s2p2 6p n i s2p2 9s 2.74523( 6p//r1// 9s) .149xr 9 -22 n i s2p2 6p n i s2p2 3d -.49766( 6p//r1// 3d) .090xr 5 -17 n i s2p2 6p n i s2p2 4d -2.20116( 6p//r1// 4d) .126xr 13 -26 n i s2p2 6p n i s2p2 5d -39.59087( 6p//r1// 5d) .889xr 60 -74 n i s2p2 6p n i s2p2 6d 46.62810( 6p//r1// 6d) -.899xr -65 -83 n i s2p2 6p n i s2p2 7d 9.20666( 6p//r1// 7d) -.258xr -26 -47 n i s2p2 6p n i s2p2 8d 4.18918( 6p//r1// 8d) -.155xr -16 -38 n i s2p2 6p n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6p n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i s2p2 3s .04073( 7p//r1// 3s) .042xr -5 -34 n i s2p2 7p n i s2p2 4s -.05455( 7p//r1// 4s) -.015xr -8 -32 n i s2p2 7p n i s2p2 5s -.46440( 7p//r1// 5s) -.047xr -13 -32 n i s2p2 7p n i s2p2 6s -2.55837( 7p//r1// 6s) -.110xr -23 -39 n i s2p2 7p n i s2p2 7s -47.16029( 7p//r1// 7s) -.961xr -81 -93 n i s2p2 7p n i s2p2 8s 39.49853( 7p//r1// 8s) .784xr 45 -60 n i s2p2 7p n i s2p2 9s 7.77070( 7p//r1// 9s) .216xr 15 -29 n i s2p2 7p n i s2p2 3d -.30754( 7p//r1// 3d) .075xr 3 -15 n i s2p2 7p n i s2p2 4d -.97560( 7p//r1// 4d) .079xr 7 -19 n i s2p2 7p n i s2p2 5d -3.51896( 7p//r1// 5d) .116xr 15 -27 n i s2p2 7p n i s2p2 6d -58.97559( 7p//r1// 6d) .901xr 63 -78 n i s2p2 7p n i s2p2 7d 63.63487( 7p//r1// 7d) -.877xr -62 -80 n i s2p2 7p n i s2p2 8d 12.73216( 7p//r1// 8d) -.244xr -25 -44 n i s2p2 7p n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7p n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i s2p2 3s .03798( 8p//r1// 3s) .049xr -3 -32 n i s2p2 8p n i s2p2 4s -.01414( 8p//r1// 4s) -.005xr -6 -30 n i s2p2 8p n i s2p2 5s -.20633( 8p//r1// 5s) -.027xr -8 -28 n i s2p2 8p n i s2p2 6s -.84140( 8p//r1// 6s) -.050xr -13 -30 n i s2p2 8p n i s2p2 7s -3.80413( 8p//r1// 7s) -.109xr -23 -37 n i s2p2 8p n i s2p2 8s -63.51270( 8p//r1// 8s) -.956xr -80 -93 n i s2p2 8p n i s2p2 9s 53.10525( 8p//r1// 9s) .786xr 46 -61 n i s2p2 8p n i s2p2 3d -.21702( 8p//r1// 3d) .067xr 2 -13 n i s2p2 8p n i s2p2 4d -.59735( 8p//r1// 4d) .062xr 4 -16 n i s2p2 8p n i s2p2 5d -1.52653( 8p//r1// 5d) .069xr 8 -19 n i s2p2 8p n i s2p2 6d -5.04938( 8p//r1// 6d) .108xr 16 -27 n i s2p2 8p n i s2p2 7d -81.95474( 8p//r1// 7d) .910xr 66 -80 n i s2p2 8p n i s2p2 8d 83.17689( 8p//r1// 8d) -.860xr -60 -77 n i s2p2 8p n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8p n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i s2p2 3s .03441( 9p//r1// 3s) .054xr -3 -32 n i s2p2 9p n i s2p2 4s .00231( 9p//r1// 4s) .001xr -4 -28 n i s2p2 9p n i s2p2 5s -.10900( 9p//r1// 5s) -.018xr -6 -26 n i s2p2 9p n i s2p2 6s -.40789( 9p//r1// 6s) -.030xr -9 -26 n i s2p2 9p n i s2p2 7s -1.30249( 9p//r1// 7s) -.050xr -13 -28 n i s2p2 9p n i s2p2 8s -5.26845( 9p//r1// 8s) -.107xr -23 -36 n i s2p2 9p n i s2p2 9s -82.27980( 9p//r1// 9s) -.952xr -79 -92 n i s2p2 9p n i s2p2 3d -.16485( 9p//r1// 3d) .062xr 1 -13 n i s2p2 9p n i s2p2 4d -.42000( 9p//r1// 4d) .054xr 3 -15 n i s2p2 9p n i s2p2 5d -.92530( 9p//r1// 5d) .053xr 5 -16 n i s2p2 9p n i s2p2 6d -2.14811( 9p//r1// 6d) .061xr 9 -19 n i s2p2 9p n i s2p2 7d -6.78931( 9p//r1// 7d) .102xr 17 -27 n i s2p2 9p n i s2p2 8d -108.54039( 9p//r1// 8d) .915xr 68 -82 n i s2p2 9p n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 9p n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i s2p2 3d 17.35679( 4f//r1// 3d) 1.000xr 73-100 n i s2p2 4f n i s2p2 4d -27.72047( 4f//r1// 4d) -.910xr -68 -77 n i s2p2 4f n i s2p2 5d 3.52345( 4f//r1// 5d) .167xr -4 -8 n i s2p2 4f n i s2p2 6d 1.20840( 4f//r1// 6d) .085xr -2 -6 n i s2p2 4f n i s2p2 7d .66660( 4f//r1// 7d) .062xr -1 -5 n i s2p2 4f n i s2p2 8d .44500( 4f//r1// 8d) .052xr -1 -5 n i s2p2 4f n i s2p2 5g -35.43432( 4f//r1// 5g) 1.000xr 80-100 n i s2p2 4f n i s2p2 6g -10.50283( 4f//r1// 6g) .500xr 36 -73 n i s2p2 4f n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 4f n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i s2p2 3d 5.76260( 5f//r1// 3d) .596xr 35 -81 n i s2p2 5f n i s2p2 4d 23.12651( 5f//r1// 4d) .800xr 44 -68 n i s2p2 5f n i s2p2 5d -52.38185( 5f//r1// 5d) -.970xr -82 -89 n i s2p2 5f n i s2p2 6d 7.86058( 5f//r1// 6d) .197xr -5 -8 n i s2p2 5f n i s2p2 7d 2.68859( 5f//r1// 7d) .096xr -2 -6 n i s2p2 5f n i s2p2 8d 1.47439( 5f//r1// 8d) .068xr -2 -5 n i s2p2 5f n i s2p2 5g 45.00666( 5f//r1// 5g) -.861xr -60 -70 n i s2p2 5f n i s2p2 6g -45.10198( 5f//r1// 6g) .852xr 55 -78 n i s2p2 5f n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 5f n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i s2p2 3d 3.15141( 6f//r1// 3d) .463xr 22 -72 n i s2p2 6f n i s2p2 4d 8.83157( 6f//r1// 4d) .478xr 26 -59 n i s2p2 6f n i s2p2 5d 29.68405( 6f//r1// 5d) .651xr 30 -45 n i s2p2 6f n i s2p2 6d -81.60182( 6f//r1// 6d) -.987xr -89 -94 n i s2p2 6f n i s2p2 7d 13.62807( 6f//r1// 7d) .217xr -4 -7 n i s2p2 6f n i s2p2 8d 4.64031( 6f//r1// 8d) .103xr -2 -6 n i s2p2 6f n i s2p2 5g -4.05134( 6f//r1// 5g) .110xr -4 -8 n i s2p2 6f n i s2p2 6g 80.51358( 6f//r1// 6g) -.943xr -74 -83 n i s2p2 6f n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6f n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i s2p2 3d 2.09152( 7f//r1// 3d) .401xr 16 -67 n i s2p2 7f n i s2p2 4d 5.06960( 7f//r1// 4d) .368xr 18 -54 n i s2p2 7f n i s2p2 5d 11.85093( 7f//r1// 5d) .383xr 19 -41 n i s2p2 7f n i s2p2 6d 37.03170( 7f//r1// 6d) .553xr 21 -32 n i s2p2 7f n i s2p2 7d -115.78416( 7f//r1// 7d) -.994xr -92 -96 n i s2p2 7f n i s2p2 8d 20.86152( 7f//r1// 8d) .231xr -4 -6 n i s2p2 7f n i s2p2 5g -1.27758( 7f//r1// 5g) .049xr -2 -6 n i s2p2 7f n i s2p2 6g -8.55577( 7f//r1// 6g) .134xr -6 -9 n i s2p2 7f n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7f n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i s2p2 3d 1.53473( 8f//r1// 3d) .367xr 12 -64 n i s2p2 8f n i s2p2 4d 3.44549( 8f//r1// 4d) .315xr 13 -51 n i s2p2 8f n i s2p2 5d 6.93276( 8f//r1// 5d) .291xr 14 -38 n i s2p2 8f n i s2p2 6d 15.03341( 8f//r1// 6d) .319xr 14 -30 n i s2p2 8f n i s2p2 7d 45.16493( 8f//r1// 7d) .487xr 16 -23 n i s2p2 8f n i s2p2 8d -155.04206( 8f//r1// 8d) -.996xr -95 -97 n i s2p2 8f n i s2p2 5g -.66031( 8f//r1// 5g) .032xr -1 -4 n i s2p2 8f n i s2p2 6g -2.77602( 8f//r1// 6g) .060xr -3 -7 n i s2p2 8f n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 8f n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i s2p2 5g 60.85331( 6h//r1// 5g) 1.000xr 83-100 n i s2p2 6h n i s2p2 6g -66.74587( 6h//r1// 6g) -.823xr -55 -65 n i s2p2 6h n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 6h n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i s2p2 5g 16.67523( 7h//r1// 5g) .442xr 36 -68 n i s2p2 7h n i s2p2 6g 73.93480( 7h//r1// 6g) .877xr 61 -82 n i s2p2 7h n i sp4 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i s2p2 7h n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i sp4 -.67568( 3s//r1// 2p) .724xr 9 -27 n i sp3 3s n i sp3 3p 5.79754( 3s//r1// 3p)-1.000xr -93-100 n i sp3 3s n i sp3 4p .18370( 3s//r1// 4p) -.063xr -21 -49 n i sp3 3s n i sp3 5p -.00744( 3s//r1// 5p) .004xr -11 -40 n i sp3 3s n i sp3 6p -.03503( 3s//r1// 6p) .027xr -7 -36 n i sp3 3s n i sp3 7p -.03834( 3s//r1// 7p) .040xr -5 -34 n i sp3 3s n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3s n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i sp4 -.25422( 4s//r1// 2p) .603xr 3 -21 n i sp3 4s n i sp3 3p -4.82164( 4s//r1// 3p) .775xr 31 -48 n i sp3 4s n i sp3 4p 12.52513( 4s//r1// 4p) -.989xr -87 -98 n i sp3 4s n i sp3 5p .75907( 4s//r1// 5p) -.103xr -23 -45 n i sp3 4s n i sp3 6p .18884( 4s//r1// 6p) -.038xr -12 -36 n i sp3 4s n i sp3 7p .06262( 4s//r1// 7p) -.017xr -8 -32 n i sp3 4s n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4s n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i sp4 -.14674( 5s//r1// 2p) .561xr 2 -19 n i sp3 5s n i sp3 3p -1.14196( 5s//r1// 3p) .341xr 10 -29 n i sp3 5s n i sp3 4p -10.59566( 5s//r1// 4p) .781xr 38 -54 n i sp3 5s n i sp3 5p 21.62220( 5s//r1// 5p) -.977xr -84 -96 n i sp3 5s n i sp3 6p 1.57560( 5s//r1// 6p) -.111xr -23 -42 n i sp3 5s n i sp3 7p .48589( 5s//r1// 7p) -.049xr -13 -33 n i sp3 5s n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5s n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i sp4 -.09919( 6s//r1// 2p) .541xr 1 -18 n i sp3 6s n i sp3 3p -.59626( 6s//r1// 3p) .265xr 6 -24 n i sp3 6s n i sp3 4p -2.29715( 6s//r1// 4p) .281xr 13 -30 n i sp3 6s n i sp3 5p -18.31731( 6s//r1// 5p) .784xr 42 -57 n i sp3 6s n i sp3 6p 33.11509( 6s//r1// 6p) -.967xr -82 -94 n i sp3 6s n i sp3 7p 2.61795( 6s//r1// 7p) -.112xr -23 -39 n i sp3 6s n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6s n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i sp4 -.07299( 7s//r1// 2p) .531xr 1 -17 n i sp3 7s n i sp3 3p -.39035( 7s//r1// 3p) .235xr 4 -22 n i sp3 7s n i sp3 4p -1.16418( 7s//r1// 4p) .202xr 7 -24 n i sp3 7s n i sp3 5p -3.78144( 7s//r1// 5p) .250xr 14 -29 n i sp3 7s n i sp3 6p -28.01120( 7s//r1// 6p) .786xr 44 -59 n i sp3 7s n i sp3 7p 47.01251( 7s//r1// 7p) -.960xr -80 -93 n i sp3 7s n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 7s n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i sp4 -.05667( 8s//r1// 2p) .524xr 0 -17 n i sp3 8s n i sp3 3p -.28435( 8s//r1// 3p) .219xr 3 -21 n i sp3 8s n i sp3 4p -.75256( 8s//r1// 4p) .170xr 5 -21 n i sp3 8s n i sp3 5p -1.87624( 8s//r1// 5p) .169xr 8 -23 n i sp3 8s n i sp3 6p -5.59804( 8s//r1// 6p) .229xr 15 -29 n i sp3 8s n i sp3 7p -39.68473( 8s//r1// 7p) .787xr 46 -60 n i sp3 8s n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 8s n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 3d n i sp4 .52193( 3d//r1// 2p) 1.000xr 10-100 n i sp3 3d n i sp3 3p -10.69771( 3d//r1// 3p) -.999xr -88 -99 n i sp3 3d n i sp3 4p 11.35818( 3d//r1// 4p) .820xr 43 -57 n i sp3 3d n i sp3 5p 1.10431( 3d//r1// 5p) .135xr 9 -22 n i sp3 3d n i sp3 6p .50044( 3d//r1// 6p) .091xr 5 -17 n i sp3 3d n i sp3 7p .30897( 3d//r1// 7p) .075xr 3 -15 n i sp3 3d n i sp3 4f -17.32794( 3d//r1// 4f) 1.000xr 73-100 n i sp3 3d n i sp3 5f -5.76351( 3d//r1// 5f) .597xr 35 -81 n i sp3 3d n i sp3 6f -3.15412( 3d//r1// 6f) .464xr 22 -72 n i sp3 4d n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 4d n i sp4 .37305( 4d//r1// 2p) .999xr 8-100 n i sp3 4d n i sp3 3p -1.47175( 4d//r1// 3p) -.269xr -28 -62 n i sp3 4d n i sp3 4p -20.23930( 4d//r1// 4p) -.967xr -77 -94 n i sp3 4d n i sp3 5p 23.67559( 4d//r1// 5p) .867xr 54 -68 n i sp3 4d n i sp3 6p 2.22371( 4d//r1// 6p) .127xr 13 -26 n i sp3 4d n i sp3 7p .98579( 4d//r1// 7p) .080xr 7 -19 n i sp3 4d n i sp3 4f 27.73856( 4d//r1// 4f) -.911xr -68 -78 n i sp3 4d n i sp3 5f -23.02271( 4d//r1// 5f) .798xr 44 -67 n i sp3 4d n i sp3 6f -8.81881( 4d//r1// 6f) .478xr 26 -59 n i sp3 5d n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 5d n i sp4 .27677( 5d//r1// 2p) .997xr 6-100 n i sp3 5d n i sp3 3p -.49800( 5d//r1// 3p) -.138xr -15 -50 n i sp3 5d n i sp3 4p -3.56385( 5d//r1// 4p) -.285xr -28 -57 n i sp3 5d n i sp3 5p -32.26211( 5d//r1// 5p) -.931xr -70 -88 n i sp3 5d n i sp3 6p 39.42142( 5d//r1// 6p) .888xr 59 -74 n i sp3 5d n i sp3 7p 3.56735( 5d//r1// 7p) .118xr 14 -27 n i sp3 5d n i sp3 4f -3.58192( 5d//r1// 4f) .169xr -4 -8 n i sp3 5d n i sp3 5f 52.41407( 5d//r1// 5f) -.971xr -82 -89 n i sp3 5d n i sp3 6f -29.46689( 5d//r1// 6f) .647xr 29 -45 n i sp3 6d n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i sp3 6d n i sp4 .21467( 6d//r1// 2p) .996xr 4-100 n i sp3 6d n i sp3 3p -.22824( 6d//r1// 3p) -.086xr -10 -44 n i sp3 6d n i sp3 4p -1.48800( 6d//r1// 4p) -.170xr -16 -47 n i sp3 6d n i sp3 5p -6.11017( 6d//r1// 5p) -.271xr -27 -52 n i sp3 6d n i sp3 6p -46.82148( 6d//r1// 6p) -.902xr -66 -84 n i sp3 6d n i sp3 7p 58.71116( 6d//r1// 7p) .899xr 63 -77 n i sp3 6d n i sp3 4f -1.22905( 6d//r1// 4f) .086xr -2 -6 n i sp3 6d n i sp3 5f -8.00266( 6d//r1// 5f) .200xr -5 -8 n i sp3 6d n i sp3 6f 81.64462( 6d//r1// 6f) -.987xr -89 -94 n i p5 n i s2p2 3s 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 4s 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 5s 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 6s 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 7s 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 8s 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 9s 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 3d 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 4d 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 5d 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 6d 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 7d 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 8d 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 5g 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i s2p2 6g 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i sp4 -1.32072( 2p//r1// 2s) -.997xr -95 -97 n i p5 n i sp3 3p 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i sp3 4p 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i sp3 5p 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i sp3 6p 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i sp3 7p 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i sp3 4f 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i sp3 5f 0.00000( //r1// ) 0.000xr 0 0 n i p5 n i sp3 6f 0.00000( //r1// ) 0.000xr 0 0 -99999999.0