1 84444846460 1 3 1000.0000 7 0 0 2 p 5 d 0 s 0 p 0 f 0 s 0 d 0 fe x s2p5 e= -272863.546 2 p 4 d 0 s 0 p 1 f 0 s 0 d 0 fe x s2p4 4p e= -271713.928 2 p 4 d 0 s 0 p 1 f 0 s 0 d 0 fe x s2p4 5p e= -271310.530 2 p 4 d 0 s 0 p 1 f 0 s 0 d 0 fe x s2p4 6p e= -271115.662 2 p 4 d 0 s 0 p 1 f 0 s 0 d 0 fe x s2p4 7p e= -271005.952 2 p 4 d 0 s 0 p 1 f 0 s 0 d 0 fe x s2p4 8p e= -270937.947 2 p 4 d 0 s 0 p 1 f 0 s 0 d 0 fe x s2p4 9p e= -270892.863 2 p 4 d 0 s 0 p 1 f 0 s 0 d 0 fe x s2p4 10p e= -270861.434 2 p 4 d 0 s 0 p 1 f 0 s 0 d 0 fe x s2p4 11p e= -270838.641 2 p 4 d 0 s 0 p 1 f 0 s 0 d 0 fe x s2p4 12p e= -270821.589 2 p 4 d 0 s 0 p 0 f 1 s 0 d 0 fe x s2p4 4f e= -271451.004 2 p 4 d 0 s 0 p 0 f 1 s 0 d 0 fe x s2p4 5f e= -271192.419 2 p 4 d 0 s 0 p 0 f 1 s 0 d 0 fe x s2p4 6f e= -271051.935 2 p 4 d 0 s 0 p 0 f 1 s 0 d 0 fe x s2p4 7f e= -270967.515 2 p 4 d 0 s 0 p 0 f 1 s 0 d 0 fe x s2p4 8f e= -270912.948 2 p 4 d 0 s 0 p 0 f 1 s 0 d 0 fe x s2p4 9f e= -270875.679 2 p 4 d 0 s 0 p 0 f 1 s 0 d 0 fe x s2p4 10f e= -270849.108 2 p 4 d 0 s 0 p 0 f 1 s 0 d 0 fe x s2p4 11f e= -270829.506 2 p 4 d 0 s 0 p 0 f 1 s 0 d 0 fe x s2p4 12f e= -270814.625 1 p 5 d 0 s 1 p 0 f 0 s 0 d 0 fe x sp5 4s e= -271476.379 1 p 5 d 0 s 0 p 0 f 0 s 1 d 0 fe x sp5 5s e= -271017.177 1 p 5 d 0 s 0 p 0 f 0 s 1 d 0 fe x sp5 6s e= -270800.741 1 p 5 d 0 s 0 p 0 f 0 s 1 d 0 fe x sp5 7s e= -270681.019 1 p 5 d 0 s 0 p 0 f 0 s 1 d 0 fe x sp5 8s e= -270607.735 1 p 5 d 0 s 0 p 0 f 0 s 1 d 0 fe x sp5 9s e= -270559.606 1 p 5 d 0 s 0 p 0 f 0 s 1 d 0 fe x sp5 10s e= -270526.297 1 p 5 d 0 s 0 p 0 f 0 s 1 d 0 fe x sp5 11s e= -270502.281 1 p 5 d 0 s 0 p 0 f 0 s 1 d 0 fe x sp5 12s e= -270484.404 1 p 5 d 1 s 0 p 0 f 0 s 0 d 0 fe x sp5 3d e= -272077.864 1 p 5 d 0 s 0 p 0 f 0 s 0 d 1 fe x sp5 4d e= -271220.915 1 p 5 d 0 s 0 p 0 f 0 s 0 d 1 fe x sp5 5d e= -270901.710 1 p 5 d 0 s 0 p 0 f 0 s 0 d 1 fe x sp5 6d e= -270738.740 1 p 5 d 0 s 0 p 0 f 0 s 0 d 1 fe x sp5 7d e= -270643.851 1 p 5 d 0 s 0 p 0 f 0 s 0 d 1 fe x sp5 8d e= -270583.697 1 p 5 d 0 s 0 p 0 f 0 s 0 d 1 fe x sp5 9d e= -270543.165 1 p 5 d 0 s 0 p 0 f 0 s 0 d 1 fe x sp5 10d e= -270514.557 1 p 5 d 0 s 0 p 0 f 0 s 0 d 1 fe x sp5 11d e= -270493.613 1 p 5 d 0 s 0 p 0 f 0 s 0 d 1 fe x sp5 12d e= -270477.814 0 p 6 d 0 s 0 p 1 f 0 s 0 d 0 fe x p6 4p e= -270987.592 0 p 6 d 0 s 0 p 0 f 1 s 0 d 0 fe x p6 4f e= -270723.725 2 p 3 d 2 s 0 p 0 f 0 s 0 d 0 fe x s2p3 3d2 e= -271947.786 2 p 3 d 1 s 1 p 0 f 0 s 0 d 0 fe x s2p3 3d4s e= -271365.941 2 p 3 d 0 s 2 p 0 f 0 s 0 d 0 fe x s2p3 4s2 e= -270708.956 0 p 5 d 2 s 0 p 0 f 0 s 0 d 0 fe x p5 3d2 e= -271272.332 2 p 4 d 0 s 1 s 0 d 0 p 0 f 0 fe x s2p4 4s e= -271819.138 2 p 4 d 0 s 0 s 1 d 0 p 0 f 0 fe x s2p4 5s e= -271357.852 2 p 4 d 0 s 0 s 1 d 0 p 0 f 0 fe x s2p4 6s e= -271140.932 2 p 4 d 0 s 0 s 1 d 0 p 0 f 0 fe x s2p4 7s e= -271021.025 2 p 4 d 0 s 0 s 1 d 0 p 0 f 0 fe x s2p4 8s e= -270947.653 2 p 4 d 0 s 0 s 1 d 0 p 0 f 0 fe x s2p4 9s e= -270899.478 2 p 4 d 0 s 0 s 1 d 0 p 0 f 0 fe x s2p4 10s e= -270866.140 2 p 4 d 0 s 0 s 1 d 0 p 0 f 0 fe x s2p4 11s e= -270842.107 2 p 4 d 0 s 0 s 1 d 0 p 0 f 0 fe x s2p4 12s e= -270824.219 2 p 4 d 1 s 0 s 0 d 0 p 0 f 0 fe x s2p4 3d e= -272412.858 2 p 4 d 0 s 0 s 0 d 1 p 0 f 0 fe x s2p4 4d e= -271560.101 2 p 4 d 0 s 0 s 0 d 1 p 0 f 0 fe x s2p4 5d e= -271241.242 2 p 4 d 0 s 0 s 0 d 1 p 0 f 0 fe x s2p4 6d e= -271078.398 2 p 4 d 0 s 0 s 0 d 1 p 0 f 0 fe x s2p4 7d e= -270983.560 2 p 4 d 0 s 0 s 0 d 1 p 0 f 0 fe x s2p4 8d e= -270923.433 2 p 4 d 0 s 0 s 0 d 1 p 0 f 0 fe x s2p4 9d e= -270882.915 2 p 4 d 0 s 0 s 0 d 1 p 0 f 0 fe x s2p4 10d e= -270854.316 2 p 4 d 0 s 0 s 0 d 1 p 0 f 0 fe x s2p4 11d e= -270833.378 2 p 4 d 0 s 0 s 0 d 1 p 0 f 0 fe x s2p4 12d e= -270817.583 1 p 6 d 0 s 0 s 0 d 0 p 0 f 0 fe x sp6 e= -272506.969 1 p 5 d 0 s 0 s 0 d 0 p 1 f 0 fe x sp5 4p e= -271375.370 1 p 5 d 0 s 0 s 0 d 0 p 1 f 0 fe x sp5 5p e= -270971.188 1 p 5 d 0 s 0 s 0 d 0 p 1 f 0 fe x sp5 6p e= -270776.089 1 p 5 d 0 s 0 s 0 d 0 p 1 f 0 fe x sp5 7p e= -270666.287 1 p 5 d 0 s 0 s 0 d 0 p 1 f 0 fe x sp5 8p e= -270598.239 1 p 5 d 0 s 0 s 0 d 0 p 1 f 0 fe x sp5 9p e= -270553.131 1 p 5 d 0 s 0 s 0 d 0 p 1 f 0 fe x sp5 10p e= -270521.687 1 p 5 d 0 s 0 s 0 d 0 p 1 f 0 fe x sp5 11p e= -270498.885 1 p 5 d 0 s 0 s 0 d 0 p 1 f 0 fe x sp5 12p e= -270481.827 1 p 5 d 0 s 0 s 0 d 0 p 0 f 1 fe x sp5 4f e= -271112.005 1 p 5 d 0 s 0 s 0 d 0 p 0 f 1 fe x sp5 5f e= -270852.987 1 p 5 d 0 s 0 s 0 d 0 p 0 f 1 fe x sp5 6f e= -270712.331 1 p 5 d 0 s 0 s 0 d 0 p 0 f 1 fe x sp5 7f e= -270627.838 1 p 5 d 0 s 0 s 0 d 0 p 0 f 1 fe x sp5 8f e= -270573.234 1 p 5 d 0 s 0 s 0 d 0 p 0 f 1 fe x sp5 9f e= -270535.943 1 p 5 d 0 s 0 s 0 d 0 p 0 f 1 fe x sp5 10f e= -270509.360 1 p 5 d 0 s 0 s 0 d 0 p 0 f 1 fe x sp5 11f e= -270489.749 1 p 5 d 0 s 0 s 0 d 0 p 0 f 1 fe x sp5 12f e= -270474.863 0 p 6 d 0 s 1 s 0 d 0 p 0 f 0 fe x p6 4s e= -271084.334 0 p 6 d 1 s 0 s 0 d 0 p 0 f 0 fe x p6 3d e= -271694.291 0 p 6 d 0 s 0 s 0 d 1 p 0 f 0 fe x p6 4d e= -270832.512 2 p 3 d 1 s 0 s 0 d 0 p 1 f 0 fe x s2p3 3d4p e= -271260.235 2 p 3 d 0 s 1 s 0 d 0 p 1 f 0 fe x s2p3 4s4p e= -270616.035 1 p 4 d 2 s 0 s 0 d 0 p 0 f 0 fe x sp4 3d2 e= -271634.314 1 p 4 d 1 s 1 s 0 d 0 p 0 f 0 fe x sp4 3d4s e= -271044.979 1 p 4 d 0 s 2 s 0 d 0 p 0 f 0 fe x sp4 4s2 e= -270380.699 e x s2p5 2 00 1082002 00 00 00xr99999999 e x s2p4 4p 7 114961700 13627721 1122222 321312 4639403xr99999999 1317694 1543964 e x s2p4 5p 7 155301580 13681771 1130442 140412 1876533xr99999999 439804 554944 e x s2p4 6p 7 174788340 13698751 1133192 74332 941743xr99999999 207764 270464 e x s2p4 7p 7 185759370 13705821 1134382 44262 541203xr99999999 116474 154134 e x s2p4 8p 7 192559820 13709361 1134982 28512 340393xr99999999 72374 96724 e x s2p4 9p 7 197068200 13711341 1135322 19452 228343xr99999999 48234 64864 e x s2p4 10p 7 200211160 13712541 1135532 13862 160783xr99999999 33824 45684 e x s2p4 11p 7 202490430 13713311 1135662 10222 117563xr99999999 24674 33424 e x s2p4 12p 7 204195620 13713831 1135752 7762 88603xr99999999 18564 25204 e x s2p4 4f 7 141254140 13644271 1126062 3592 5083613xr99999999 3248084 2154524 e x s2p4 5f 7 167112690 13687251 1131462 1932 2171173xr99999999 1505704 1022934 e x s2p4 6f 7 181161080 13701151 1133592 1132 1136003xr99999999 799134 549894 e x s2p4 7f 7 189603070 13706951 1134552 712 675723xr99999999 477524 331104 e x s2p4 8f 7 195059750 13709921 1135062 482 436673xr99999999 309184 215434 e x s2p4 9f 7 198786690 13711631 1135352 342 299253xr99999999 212084 148274 e x s2p4 10f 7 201443700 13712701 1135542 242 214333xr99999999 151984 106504 e x s2p4 11f 7 203403980 13713391 1135672 182 158923xr99999999 112724 79134 e x s2p4 12f 7 204892010 13713871 1135752 142 121163xr99999999 85964 60424 e x sp5 4s 5 138716630 1120882 17847024 1231154 1579874xr99999999 e x sp5 5s 5 184636890 1129522 17904684 394634 523244xr99999999 e x sp5 6s 5 206280480 1132232 17921574 183294 246904xr99999999 e x sp5 7s 5 218252630 1133372 17928524 101614 138034xr99999999 e x sp5 8s 5 225581050 1133952 17931974 62614 85484xr99999999 e x sp5 9s 5 230393910 1134272 17933904 41454 56774xr99999999 e x sp5 10s 5 233724870 1134462 17935064 28914 39694xr99999999 e x sp5 11s 5 236126460 1134582 17935814 20994 28874xr99999999 e x sp5 12s 5 237914180 1134672 17936314 15734 21664xr99999999 e x sp5 3d 8 78568160 1076742 88442 13237473 17621774xr99999999 12001394 15467584 9914564 e x sp5 4d 8 164263070 1121082 27462 4241533 17852844xr99999999 1026194 1071664 1126374 e x sp5 5d 8 196183600 1128952 12852 1783593 17902184xr99999999 399744 397514 446964 e x sp5 6d 8 212480500 1131812 7042 919603 17919584xr99999999 205204 199294 228744 e x sp5 7d 8 221969480 1133082 4292 539223 17927124xr99999999 121114 116104 134414 e x sp5 8d 8 227984800 1133732 2812 344413 17930974xr99999999 77914 74104 86164 e x sp5 9d 8 232038090 1134112 1942 233843 17933154xr99999999 53224 50364 58704 e x sp5 10d 8 234898840 1134342 1402 166243 17934504xr99999999 38024 35844 41854 e x sp5 11d 8 236993260 1134492 1042 122513 17935374xr99999999 28134 26454 30914 e x sp5 12d 8 238573110 1134602 792 92943 17935964xr99999999 21404 20094 23494 e x p6 4p 2 187595350 321602 00 00 00xr99999999 e x p6 4f 2 213982090 3612 00 00 00xr99999999 e x s2p3 3d2 9 91575970 13402371 13861211 8877211 1073572xr99999999 87692 13191173 15449314 9890044 e x s2p3 3d4s 9 149760500 13605591 1116772 93562 13474813xr99999999 15633544 10064984 1580714 1594044 e x s2p3 4s2 3 215459000 13820731 1163332 00 00xr99999999 e x p5 3d2 8 159121360 13865781 8880511 1072382 87732xr99999999 13190283 15444224 9888204 2p5 -s2p4 4p 2 4.93075 22.21695 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 5p 2 2.37795 9.29755 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 6p 2 1.48205 5.24935 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 7p 2 1.04695 3.46215 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 8p 2 0.79525 2.50455 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 9p 2 0.63305 1.92445 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 10p 2 0.52075 1.54215 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 11p 2 0.43905 1.27425 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 12p 2 0.37705 1.07765 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 4f 1 -60.31705 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 5f 1 -42.79975 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 6f 1 -31.57925 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 7f 1 -24.53365 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 8f 1 -19.78655 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 9f 1 -16.40705 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 10f 1 -13.89825 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 11f 1 -11.97405 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -s2p4 12f 1 -10.45895 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -sp5 4s 3 9.37435 22.33195 3.83425 0.00005 0.00005xr99999999 2p5 -sp5 5s 3 4.67325 9.67415 1.68225 0.00005 0.00005xr99999999 2p5 -sp5 6s 3 2.98865 5.70455 0.99735 0.00005 0.00005xr99999999 2p5 -sp5 7s 3 2.14655 3.89585 0.68325 0.00005 0.00005xr99999999 2p5 -sp5 8s 3 1.64795 2.89335 0.50845 0.00005 0.00005xr99999999 2p5 -sp5 9s 3 1.32125 2.26755 0.39895 0.00005 0.00005xr99999999 2p5 -sp5 10s 3 1.09225 1.84425 0.32485 0.00005 0.00005xr99999999 2p5 -sp5 11s 3 0.92385 1.54135 0.27165 0.00005 0.00005xr99999999 2p5 -sp5 12s 3 0.79545 1.31505 0.23195 0.00005 0.00005xr99999999 2p5 -sp5 3d 2 162.12575 123.06415 0.00005 0.00005 0.00005xr99999999 2p5 -sp5 4d 2 14.58205 13.65775 0.00005 0.00005 0.00005xr99999999 2p5 -sp5 5d 2 1.59375 1.93885 0.00005 0.00005 0.00005xr99999999 2p5 -sp5 6d 2 -1.21275 -0.76995 0.00005 0.00005 0.00005xr99999999 2p5 -sp5 7d 2 -1.88315 -1.48005 0.00005 0.00005 0.00005xr99999999 2p5 -sp5 8d 2 -1.96345 -1.61425 0.00005 0.00005 0.00005xr99999999 2p5 -sp5 9d 2 -1.86425 -1.56325 0.00005 0.00005 0.00005xr99999999 2p5 -sp5 10d 2 -1.71545 -1.45435 0.00005 0.00005 0.00005xr99999999 2p5 -sp5 11d 2 -1.56155 -1.33305 0.00005 0.00005 0.00005xr99999999 2p5 -sp5 12d 2 -1.41795 -1.21615 0.00005 0.00005 0.00005xr99999999 2p5 -p6 4p 1 27.17755 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -s2p3 3d2 2 154.54745 99.00195 0.00005 0.00005 0.00005xr99999999 2p5 -s2p3 3d4s1 19.53645 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -s2p3 4s2 1 16.30765 0.00005 0.00005 0.00005 0.00005xr99999999 2p5 -p5 3d2 1 119.80135 0.00005 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p4 5p 4 0.00005 20.17255 7.49385 8.96335 0.00005xr99999999 2p4 4p -s2p4 6p 4 0.00005 12.40675 5.06485 6.04505 0.00005xr99999999 2p4 4p -s2p4 7p 4 0.00005 8.73725 3.74875 4.45575 0.00005xr99999999 2p4 4p -s2p4 8p 4 0.00005 6.63085 2.93215 3.47255 0.00005xr99999999 2p4 4p -s2p4 9p 4 0.00005 5.27805 2.38065 2.81145 0.00005xr99999999 2p4 4p -s2p4 10p 4 0.00005 4.34275 1.98585 2.34025 0.00005xr99999999 2p4 4p -s2p4 11p 4 0.00005 3.66155 1.69105 1.98955 0.00005xr99999999 2p4 4p -s2p4 12p 4 0.00005 3.14555 1.46365 1.71975 0.00005xr99999999 2p4 4p -s2p4 4f 2 21.47465 -2.12415 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p4 5f 2 1.61075 -3.39425 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p4 6f 2 -2.39245 -3.21135 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p4 7f 2 -3.22945 -2.81195 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p4 8f 2 -3.24485 -2.42935 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p4 9f 2 -3.02945 -2.10465 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p4 10f 2 -2.76165 -1.83685 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p4 11f 2 -2.49965 -1.61655 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p4 12f 2 -2.26125 -1.43455 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 4s 2 77.64795 12.65045 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 5s 2 23.07135 7.03065 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 6s 2 13.40815 4.70785 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 7s 2 9.23005 3.46465 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 8s 2 6.92175 2.69875 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 9s 2 5.46955 2.18415 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 10s 2 4.47825 1.81735 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 11s 2 3.76235 1.54435 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 12s 2 3.22355 1.33435 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 3d 2 23.14345 19.10805 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 4d 2 69.51015 11.41695 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 5d 2 26.17265 6.41615 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 6d 2 14.76365 4.17105 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 7d 2 9.83635 2.98995 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 8d 2 7.19125 2.28415 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 9d 2 5.57635 1.82285 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 10d 2 4.50235 1.50155 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 11d 2 3.74345 1.26665 0.00005 0.00005 0.00005xr99999999 2p4 4p -sp5 12d 2 3.18225 1.08845 0.00005 0.00005 0.00005xr99999999 2p4 4p -p6 4p 1 178.37555 0.00005 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p3 3d2 2 22.31265 19.26735 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p3 3d4s2 72.21975 14.54265 0.00005 0.00005 0.00005xr99999999 2p4 4p -s2p3 4s2 1 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4s2 fe x s2p4 11f 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x s2p4 12f 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 4s 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 5s 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 6s 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 7s 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 8s 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 9s 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 10s 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 11s 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 12s 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 3d 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 4d 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 5d 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 6d 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 7d 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 8d 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 9d 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 10d 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 11d 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x sp5 12d 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x p6 4p 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x p6 4f 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x s2p3 3d2 0.00000( //r2// )0.0000xr 0 0 e x s2p3 4s2 fe x s2p3 3d4s -0.47828( 4s//r2// 3d)-0.749xr -7 -14 e x s2p3 4s2 fe x s2p3 4s2 -0.66114( 3p//r2// 3p)1.0000xr 100 100 e x s2p3 4s2 fe x p5 3d2 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p5 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 4p 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 5p 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 6p 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 7p 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 8p 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 9p 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 10p 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 11p 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 12p 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 4f 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 5f 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 6f 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 7f 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 8f 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 9f 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 10f 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 11f 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p4 12f 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 4s 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 5s 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 6s 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 7s 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 8s 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 9s 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 10s 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 11s 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 12s 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 3d 0.60082( 3d//r2// 3s)0.9920xr 85 90 e x p5 3d2 fe x sp5 4d 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 5d 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 6d 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 7d 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 8d 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 9d 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 10d 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 11d 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x sp5 12d 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x p6 4p 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x p6 4f 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p3 3d2 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p3 3d4s 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x s2p3 4s2 0.00000( //r2// )0.0000xr 0 0 e x p5 3d2 fe x p5 3d2 -0.73238( 3d//r2// 3d)1.0000xr 100 100 e x s2p4 4s 4 104440740 13623591 1121842 1578904 00xr99999999 e x s2p4 5s 4 150569330 13682361 1130572 523424 00xr99999999 e x s2p4 6s 4 172261400 13699321 1133312 246954 00xr99999999 e x s2p4 7s 4 184252100 13706241 1134472 138054 00xr99999999 e x s2p4 8s 4 191589220 13709671 1135042 85494 00xr99999999 e x s2p4 9s 4 196406770 13711571 1135372 56784 00xr99999999 e x s2p4 10s 4 199740500 13712721 1135562 39694 00xr99999999 e x s2p4 11s 4 202143820 13713451 1135692 28874 00xr99999999 e x s2p4 12s 4 203932700 13713941 1135772 21664 00xr99999999 e x s2p4 3d 7 45068790 13414831 1077432 88442 13238403xr99999999 15470434 9915734 e x s2p4 4d 7 130344450 13630741 1122062 27452 4238023xr99999999 1070984 1125384 e x s2p4 5d 7 162230310 13680171 1130002 12862 1783493xr99999999 397634 447024 e x s2p4 6d 7 178514750 13697481 1132892 7042 919623xr99999999 199354 228794 e x s2p4 7d 7 187998530 13704931 1134172 4292 539213xr99999999 116124 134434 e x s2p4 8d 7 194011230 13708721 1134832 2812 344393xr99999999 74114 86174 e x s2p4 9d 7 198063020 13710871 1135212 1942 233813xr99999999 50364 58704 e x s2p4 10d 7 200922920 13712181 1135442 1402 166223xr99999999 35844 41854 e x s2p4 11d 7 203016720 13713031 1135602 1042 122493xr99999999 26454 30914 e x s2p4 12d 7 204596240 13713611 1135702 792 92923xr99999999 20084 23494 e x sp6 1 35657620 00 00 00 00xr99999999 e x sp5 4p 8 148817550 1121252 321412 4641913 17850974xr99999999 1417534 1318444 1545004 e x sp5 5p 8 189235780 1129392 140332 1876463 17904144xr99999999 485944 439614 554784 e x sp5 6p 8 208745680 1132112 74292 941743 17921044xr99999999 232344 207694 270394 e x sp5 7p 8 219725810 1133292 44242 541243 17928124xr99999999 131124 116444 154114 e x sp5 8p 8 226530630 1133882 28502 340433 17931684xr99999999 81804 72364 96714 e x sp5 9p 8 231041430 1134222 19442 228383 17933684xr99999999 54654 48224 64864 e x sp5 10p 8 234185870 1134422 13852 160813 17934894xr99999999 38404 33824 45684 e x sp5 11p 8 236466020 1134562 10222 117593 17935674xr99999999 28044 24664 33424 e x sp5 12p 8 238171810 1134642 7752 88623 17936204xr99999999 21124 18564 25204 e x sp5 4f 8 175154070 1125042 3602 5091823 17869324xr99999999 2523464 3256374 2160124 e x sp5 5f 8 201055880 1130402 1932 2171143 17909914xr99999999 1221094 1505764 1023064 e x sp5 6f 8 215121460 1132502 1132 1135963 17923484xr99999999 659874 799034 549874 e x sp5 7f 8 223570740 1133452 722 675763 17929244xr99999999 398024 477484 331114 e x sp5 8f 8 229031190 1133962 482 436723 17932234xr99999999 259144 309174 215444 e x sp5 9f 8 232760250 1134252 342 299303 17933964xr99999999 178394 212084 148284 e x sp5 10f 8 235418580 1134442 252 214373 17935044xr99999999 128154 151984 106514 e x sp5 11f 8 237379660 1134562 182 158953 17935754xr99999999 95214 112724 79144 e x sp5 12f 8 238868300 1134652 142 121193 17936234xr99999999 72704 85964 60434 e x p6 4s 1 177921110 00 00 00 00xr99999999 e x p6 3d 2 116925420 88482 00 00 00xr99999999 e x p6 4d 2 203103320 27492 00 00 00xr99999999 e x s2p3 3d4p 14 160331080 13609741 1117142 93592 320792xr99999999 13479693 4639783 4499493 15637004 10068544 1318504 1546364 1505784 1502724 e x s2p3 4s4p 9 224751010 13822871 1163422 338752 4785623xr99999999 1609174 1351214 1584914 8644164 e x sp4 3d2 11 122923120 13400351 13862551 8878231 1072882xr99999999 87702 13190153 17606184 11976864 15446384 9888774 e x sp4 3d4s 12 181856660 13602491 1115822 93522 13472483xr99999999 17825284 12119764 1231794 15629594 10062884 1581684 1594964 e x sp4 4s2 4 248284690 13816291 1162092 18055494 00xr99999999 2p4 4s -s2p4 5s 2 1.47305 8.82405 0.00005 0.00005 0.00005xr99999999 2p4 4s -s2p4 6s 2 0.98325 5.88375 0.00005 0.00005 0.00005xr99999999 2p4 4s -s2p4 7s 2 0.72125 4.31315 0.00005 0.00005 0.00005xr99999999 2p4 4s -s2p4 8s 2 0.56035 3.35005 0.00005 0.00005 0.00005xr99999999 2p4 4s -s2p4 9s 2 0.45275 2.70575 0.00005 0.00005 0.00005xr99999999 2p4 4s -s2p4 10s 2 0.37615 2.24795 0.00005 0.00005 0.00005xr99999999 2p4 4s -s2p4 11s 2 0.31935 1.90805 0.00005 0.00005 0.00005xr99999999 2p4 4s -s2p4 12s 2 0.27565 1.64705 0.00005 0.00005 0.00005xr99999999 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