# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.006697 1.305160 35.992598 2 2.892064 1.669734 0.000000 11.062181 1.305161 36.572982 3 5.784136 1.669734 0.000000 10.993320 1.305158 36.700301 4 10.122236 4.174342 0.000000 11.004471 1.305156 35.721030 5 4.338100 4.174342 0.000000 11.022718 1.305158 36.776827 6 7.230172 4.174342 0.000000 10.989646 1.305155 36.494424 7 11.568268 6.678943 0.000000 11.047913 1.305158 36.223533 8 5.784132 6.678943 0.000000 11.035015 1.305160 36.109758 9 8.676204 6.678943 0.000000 11.031225 1.305156 36.027137 10 0.000000 0.000000 2.361358 10.998925 1.280316 17.303834 11 2.892064 0.000000 2.361358 10.976235 1.280315 17.094571 12 5.784136 0.000000 2.361358 10.951804 1.280318 17.006531 13 1.446032 2.504601 2.361358 10.982316 1.280315 17.153490 14 4.338096 2.504601 2.361358 11.014822 1.280314 17.290290 15 7.230168 2.504601 2.361358 10.950849 1.280316 17.024817 16 2.892068 5.009209 2.361358 10.978169 1.280318 17.154844 17 5.784132 5.009209 2.361358 10.973344 1.280316 17.122337 18 8.676204 5.009209 2.361358 10.954902 1.280319 17.076286 19 1.421804 0.769745 4.750039 11.006971 1.270960 17.263201 20 4.330612 0.766138 4.714053 11.005057 1.278504 17.150781 21 7.229452 0.757347 4.775987 11.009382 1.295602 17.647188 22 2.871488 3.281439 4.729451 11.016301 1.285281 17.292999 23 5.770246 3.275570 4.731853 11.010385 1.281760 17.313315 24 8.674443 3.271220 4.762820 11.003725 1.287156 17.429121 25 4.308124 5.789631 4.765586 10.999306 1.270365 17.489394 26 7.218087 5.781306 4.732625 11.006862 1.280023 17.282163 27 10.131880 5.780953 4.783000 10.999368 1.300391 17.568630 28 8.663325 1.532126 7.214121 11.029840 1.248470 17.525288 29 2.882585 1.542653 7.075004 11.016043 1.242982 16.811490 30 5.750377 1.550009 7.094391 11.038928 1.271189 17.113533 31 10.111178 4.046239 7.176548 11.027861 1.261599 17.299094 32 4.299769 4.046698 7.115836 11.052688 1.266182 17.216472 33 7.191364 4.051672 7.117295 11.025631 1.285040 17.194801 34 11.554252 6.555228 7.476441 11.043079 1.311462 19.102550 35 5.749974 6.553883 7.107322 11.013721 1.233507 16.915106 36 8.668921 6.556536 7.083432 11.015751 1.271834 16.898175 37 1.627369 0.637397 9.252446 10.964613 1.112112 33.641265 38 4.281817 0.637983 9.239536 10.934109 1.138596 29.048310 39 7.077155 1.078149 9.315046 10.936094 1.106341 32.275298 40 2.890068 3.052966 9.238099 10.937506 1.127455 31.266906 41 5.732626 3.201499 9.289247 10.945683 0.954836 17.084413 42 8.582289 3.271979 9.280733 10.933359 1.115723 29.699125 43 4.695559 5.517421 9.295037 10.931324 1.088599 32.080933 44 7.229791 5.800316 9.263448 10.944304 1.122488 27.659316 45 9.749906 5.607481 9.304859 10.989460 1.120936 36.286515 46 5.841881 3.242968 10.799221 1.182710 0.460874 35.707485 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0054 VACUUM VOLUME: 299.9487 NUMBER OF ELECTRONS: 496.0000