NOSYM -4 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Sep15-2023 19:21:51 Hydrogen (TZP) SINGLE POINT DFT B3LYP == Not Default == TZP TZP TZP 2257.4622000000004 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Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.O ADF 2019 Sep15-2023 19:21:50 1 1 Oxygen TZP 1s t21.Ta ADF 2019 Sep15-2023 19:21:45 1 1 Tantalum TZP 4d t21.H ADF 2019 Sep15-2023 19:21:44 1 1 Hydrogen TZP 1819.41 46.79 1876.89 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -8.007 -8.004 -8.003 -7.897 -7.795 -7.773 -7.735 -7.733 -7.700 -7.690 -1.908 -1.739 -1.693 -1.571 -1.400 -1.234 -1.171 -1.010 -0.941 -0.774 A A A A A A A A A A A A A A A A A A A A 0.00000000040980 0.00039900761440 0.00029416394735 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 O O Ta O O O O Ta Ta O O O O Ta Ta O O Ta O O Ta Ta O O O O O Ta O O O O Ta O O O O O H H -1.0559 -1.0561 2.3903 -0.9292 -1.0849 -1.0831 -0.9429 2.8116 2.4643 -0.9293 -1.3273 -1.0643 -1.0919 2.3906 2.4644 -1.0917 -0.9429 2.8119 -1.2076 -1.0850 2.4648 2.3907 -1.0559 -0.9293 -1.0918 -1.0831 -0.9430 2.4651 -0.9292 -1.3274 -1.2072 -1.0852 2.3900 -1.0563 -1.0848 -0.9429 -1.0643 -1.0918 0.3703 0.3703 1.9469 1.9469 2.0986 1.9519 1.9404 1.9369 1.9501 2.0413 2.0815 1.9518 1.9296 1.8628 1.9388 2.0984 2.0815 1.9387 1.9501 2.0411 1.9402 1.9404 2.0814 2.0984 1.9469 1.9519 1.9387 1.9370 1.9501 2.0813 1.9519 1.9296 1.9403 1.9403 2.0987 1.9469 1.9404 1.9501 1.8629 1.9387 0.5480 0.5480 5.0788 5.0789 6.0638 4.9462 5.1155 5.1183 4.9626 5.9951 6.0326 4.9464 5.3747 5.1699 5.1248 6.0637 6.0327 5.1246 4.9625 5.9950 5.2384 5.1157 6.0325 6.0637 5.0788 4.9463 5.1248 5.1183 4.9627 6.0324 4.9463 5.3747 5.2379 5.1158 6.0639 5.0791 5.1154 4.9625 5.1697 5.1248 0.0817 0.0817 0.0303 0.0303 2.4133 0.0311 0.0290 0.0279 0.0302 2.1147 2.3882 0.0311 0.0230 0.0317 0.0283 2.4132 2.3881 0.0283 0.0302 2.1146 0.0290 0.0290 2.3880 2.4132 0.0303 0.0311 0.0283 0.0279 0.0302 2.3878 0.0311 0.0231 0.0290 0.0290 2.4134 0.0302 0.0290 0.0302 0.0317 0.0283 0.0000 0.0000 0.0000 0.0000 14.0341 0.0000 0.0000 0.0000 0.0000 14.0373 14.0333 0.0000 0.0000 0.0000 0.0000 14.0341 14.0333 0.0000 0.0000 14.0373 0.0000 0.0000 14.0333 14.0341 0.0000 0.0000 0.0000 0.0000 0.0000 14.0333 0.0000 0.0000 0.0000 0.0000 14.0341 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 O O Ta O O O O Ta Ta O O O O Ta Ta O O Ta O O Ta Ta O O O O O Ta O O O O Ta O O O O O H H -1.005639 -1.005644 2.414521 -0.968574 -1.043207 -1.054135 -0.984308 2.429738 2.376269 -0.968820 -1.209570 -0.705797 -1.046121 2.414549 2.376242 -1.046039 -0.984315 2.429815 -1.070793 -1.043339 2.376367 2.414598 -1.005608 -0.968627 -1.046243 -1.054139 -0.984461 2.376540 -0.968662 -1.209404 -1.070517 -1.043484 2.414426 -1.005776 -1.043257 -0.984218 -0.705640 -1.046216 0.124876 0.124609 -0.824508 -0.824401 1.929605 -0.859889 -0.874411 -0.877467 -0.880750 1.800715 1.882664 -0.860173 -0.669899 -0.874271 -0.864361 1.929703 1.882609 -0.864285 -0.880728 1.800450 -0.820865 -0.874618 1.882800 1.929629 -0.824431 -0.859949 -0.864298 -0.877536 -0.880907 1.882969 -0.859992 -0.670500 -0.820734 -0.874634 1.929494 -0.824616 -0.874584 -0.880740 -0.873772 -0.864232 0.425668 0.425247 -0.839297 -0.827028 2.000105 -0.829594 -0.921734 -0.954429 -0.841187 1.876738 1.933938 -0.833640 -0.744375 -0.852231 -0.925777 2.008116 1.933991 -0.927364 -0.844016 1.876617 -0.917408 -0.918323 1.940903 2.008100 -0.839182 -0.829645 -0.927656 -0.954431 -0.844219 1.941024 -0.833465 -0.744832 -0.917227 -0.918464 1.999899 -0.827341 -0.921854 -0.841129 -0.852173 -0.925858 0.417328 0.417119 -78.61014278 -92.98418526 -177.25490987 215.04631206 558.99169075 -446.32089685 -761.34778190 330.04344827 -880.17653222 -889.03513902 -298.2024 380.7995 -88.3010 -400.5804 -20.8533 -427.1375 -26.737 2.00 88 A 19.03 14.55 13.77 8.57 7.80 7.26 4.48 3.36 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-26.706 2.00 90 A 18.48 13.94 8.77 8.56 6.54 4.78 4.60 4.33 4.26 3.79 3.23 2.53 1.92 1.90 1.57 1.13 1.08 1.08 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 F:z3 F:x F:z F:xyz F:z2y F:x F:z F:z3 F:xyz F:z2y F:x F:y F:z F:xyz F:z2y F:z S F:z3 F:xyz -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.243 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 36 38 38 38 36 36 36 32 36 38 29 38 29 29 32 32 18 38 32 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta -26.680 2.00 91 A 30.19 28.82 10.04 3.83 3.49 3.35 3.01 1.90 1.71 1.69 1.55 1.23 1.20 1.17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 F:z2x F:y F:y F:xyz F:x F:x F:z2y F:z2x F:z3 F:z3 F:y F:z2x F:z F:z3 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 32 29 32 32 29 32 32 29 33 32 38 36 29 37 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta -26.679 2.00 92 A 39.46 23.14 6.95 3.42 3.01 2.91 2.62 2.28 2.08 1.70 1.52 1.46 1.35 1.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 F:y F:z2x F:y F:xyz F:x F:x F:z2x F:y F:z3 F:z3 F:z2y F:z2x F:z F:z3 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 38 36 36 36 36 38 38 29 36 31 36 32 38 35 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta -26.678 2.00 93 A 22.00 15.57 9.46 8.07 6.68 6.32 5.19 4.92 4.22 2.08 1.90 1.74 1.41 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 F:x F:z2y F:x F:y F:z3 F:z F:y F:z2y F:x F:y F:z F:z3 F:xyz F:z3 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 29 32 38 29 32 32 32 36 32 36 36 36 32 29 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta -26.677 2.00 94 A 20.63 13.36 11.77 11.24 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5.72 4.80 2.59 2.43 2.00 1.02 1 1 1 1 1 1 1 1 1 1 F:z2x F:y F:x F:x F:y F:xyz F:z3 F:z2x F:z2x F:z2y -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 36 38 38 36 36 36 36 31 38 38 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta -26.674 2.00 97 A 15.48 10.57 9.89 7.71 6.61 6.60 5.22 4.69 4.64 3.80 3.00 2.99 1.74 1.72 1.50 1.22 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 F:x F:x F:x F:z F:z2y F:x F:z F:z2y F:xyz F:y F:y F:xyz F:y F:z F:z3 F:z F:z2y -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 29 32 38 29 32 36 38 36 29 32 36 38 29 32 29 36 29 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta -26.671 2.00 98 A 12.66 10.87 8.04 7.65 7.43 6.93 5.08 4.88 4.22 3.24 3.12 3.06 2.34 2.14 1.84 1.31 1.26 1.23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 F:x F:x F:z2y F:x F:x F:z F:xyz F:z2y F:z F:y F:xyz F:y F:y F:z F:y F:z2x F:z F:z3 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 36 38 36 32 29 38 38 32 29 38 29 36 29 36 32 36 32 38 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta -26.644 2.00 99 A 30.88 25.20 20.52 10.00 2.30 1.23 1.07 1.04 1 1 1 1 1 1 1 1 F:z3 F:z F:xyz F:x F:y F:z3 F:z2x F:z3 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 32 29 29 32 32 29 32 36 Ta Ta Ta Ta Ta Ta Ta Ta -26.643 2.00 100 A 30.93 24.94 20.28 10.24 2.34 1.29 1.16 1 1 1 1 1 1 1 F:z3 F:z F:xyz F:x F:y F:z3 F:z2x -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 36 38 38 36 36 38 36 Ta Ta Ta Ta Ta Ta Ta -26.629 2.00 101 A 20.25 18.22 16.95 13.68 11.88 9.80 3.06 2.88 1.06 1 1 1 1 1 1 1 1 1 F:xyz F:z F:xyz F:z2x F:z F:y F:z2y F:x F:y -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 32 32 29 32 29 32 32 32 29 Ta Ta Ta Ta Ta Ta Ta Ta Ta -26.628 2.00 102 A 26.48 20.41 15.29 12.53 8.72 7.22 3.03 1.77 1.74 1.32 1 1 1 1 1 1 1 1 1 1 F:xyz F:z F:z F:xyz F:z2x F:y F:z2y F:x F:y F:z2x -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 38 38 36 36 36 36 36 36 38 38 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta -26.628 2.00 103 A 18.14 14.39 11.40 11.39 10.08 9.15 7.65 5.39 2.78 2.15 1.62 1.26 1 1 1 1 1 1 1 1 1 1 1 1 F:xyz F:z3 F:z2y F:z2y F:z F:z2x F:z F:z2x F:xyz F:x F:y F:x -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 -26.429 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 32 29 29 32 32 32 29 29 29 32 29 29 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta -26.627 2.00 104 A 21.85 16.63 14.38 11.02 7.43 5.55 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-26.243 -26.243 -3.278 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.60 26 19 6 12 7 16 3 20 38 O O O O O O O O Ta -15.278 2.00 139 A 16.81 16.49 14.75 14.66 5.04 5.01 1.89 1.88 1.58 1.57 1.35 1.35 1.29 1.28 1.25 1.23 1.12 1.10 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 P:z P:z P:x P:x S S P:x P:x P:z P:z S S D:xz D:xz S S P:y P:y -9.877 -9.877 -9.877 -9.877 -6.641 -6.641 -9.877 -9.877 -9.877 -9.877 2.836 2.836 -3.278 -3.278 -26.243 -26.243 -9.877 -9.877 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 0.00 0.00 0.60 0.60 2.00 2.00 1.33 1.33 27 9 9 27 40 39 21 8 22 13 40 39 34 30 27 9 27 9 O O O O H H O O O O H H Ta Ta O O O O -14.986 2.00 140 A 19.15 19.09 14.25 13.89 5.62 5.58 1.66 1.65 1.59 1.58 1.31 1.30 1 1 1 1 1 1 1 1 1 1 2 2 P:z P:z P:x P:x S S S S P:y P:y S S -9.877 -9.877 -9.877 -9.877 -6.641 -6.641 -26.243 -26.243 -9.877 -9.877 2.836 2.836 1.33 1.33 1.33 1.33 1.00 1.00 2.00 2.00 1.33 1.33 0.00 0.00 27 9 9 27 39 40 9 27 9 27 39 40 O O O O H H O O O O H H -13.085 2.00 141 A 10.67 10.48 4.18 4.11 3.90 3.86 3.74 3.72 3.50 3.50 2.82 2.77 1.86 1.86 1.85 1.84 1.44 1.41 1.38 1.38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:y P:y P:y P:y D:z2 D:z2 P:y P:y P:z P:z D:yz D:yz D:xy D:xy P:z P:z -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -3.278 -3.278 -9.877 -9.877 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.60 0.60 1.33 1.33 1.33 1.33 0.60 0.60 0.60 0.60 1.33 1.33 21 8 21 8 22 13 24 2 34 30 15 1 1 15 34 30 30 34 13 22 O O O O O O O O Ta Ta O O O O Ta Ta Ta Ta O O -13.006 2.00 142 A 12.53 12.40 11.17 11.06 5.59 5.53 3.60 3.55 3.29 3.25 1.51 1.50 1.24 1.23 1.03 1.02 1.01 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z D:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 3.659 3.659 -3.278 -3.278 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.60 0.60 0.60 0.60 0.00 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2.52 2.51 2.30 2.26 1.48 1.46 1.35 1.34 1.34 1.31 1.31 1.31 1.27 1.26 1.14 1.13 1.08 1.08 1.08 1.06 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:z P:z P:y P:y P:z P:z P:y P:z P:y P:z P:y P:y P:x P:x P:z P:z P:x P:y P:y P:x P:y P:y P:y P:y P:z P:y P:y P:z P:y P:y -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 1 2 24 17 11 28 10 14 23 4 13 25 22 3 16 28 10 7 20 4 22 13 25 2 24 20 7 28 15 1 10 14 23 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -8.095 2.00 212 A 18.17 17.73 7.00 6.83 4.74 4.62 2.39 2.27 1.71 1.68 1.51 1.49 1.34 1.31 1.28 1.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:z P:z P:y P:y P:z P:z P:x P:x P:x P:y P:x P:y -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 18 5 10 28 11 17 18 5 14 23 8 21 17 25 11 4 O O O O O O O O O O O O O O O O -8.007 2.00 213 A 11.58 10.23 8.69 7.70 5.58 4.46 4.36 3.73 2.74 2.00 1.73 1.58 1.48 1.43 1.36 1.33 1.26 1.24 1.18 1.12 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:y P:x P:y P:x P:z P:z P:y P:y P:x P:y P:z P:z P:z P:x P:y P:y P:x -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 3 20 16 7 23 4 14 25 4 25 20 25 11 4 13 28 22 5 3 7 18 O O O O O O O O O O O O O O O O O O O O O -8.004 2.00 214 A 13.42 11.58 7.32 6.58 4.81 4.34 4.15 3.58 3.35 2.96 2.83 2.66 2.20 1.81 1.79 1.73 1.73 1.71 1.68 1.38 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:y P:y P:z P:z P:y P:x P:y P:x P:x P:x P:z P:y P:z P:z P:z P:x P:y -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 7 3 20 20 23 25 10 3 11 14 25 10 17 28 7 4 11 17 28 16 O O O O O O O O O O O O O O O O O O O O O -8.003 2.00 215 A 12.48 9.63 8.74 6.89 6.34 4.22 3.66 3.63 3.24 3.01 2.29 2.25 1.96 1.89 1.70 1.66 1.61 1.59 1.51 1.20 1.09 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:z P:y P:x P:z P:z P:z P:x P:x P:y P:y P:x P:x P:z P:y P:y P:x P:z P:y -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 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1.31 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:y P:y P:z P:z P:y P:y P:x P:x P:x P:x -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 6 12 26 19 5 18 5 18 12 19 6 26 5 18 O O O O O O O O O O O O O O -7.773 2.00 218 A 8.07 8.06 7.90 7.80 4.17 4.06 3.51 3.38 2.93 2.81 2.72 2.67 2.56 2.51 1.97 1.94 1.75 1.70 1.67 1.66 1.46 1.43 1.33 1.30 1.27 1.24 1.20 1.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z P:y P:z P:y P:z P:z P:z P:y P:y P:x P:x P:y P:y -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 6 12 26 19 11 17 3 16 20 7 5 18 28 10 20 7 23 28 14 10 4 25 12 19 4 25 6 26 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -7.735 2.00 219 A 8.92 8.50 8.08 7.72 5.54 5.49 5.24 5.20 3.88 3.71 2.54 2.43 2.16 2.14 2.04 2.02 1.54 1.52 1.50 1.46 1.43 1.35 1.33 1.29 1.26 1.22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z P:z P:z -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 6 26 12 19 3 20 16 7 11 17 23 14 4 28 25 10 12 20 19 7 3 16 4 28 25 10 O O O O O O O O O O O O O O O O O O O O O O O O O O -7.733 2.00 220 A 13.88 13.72 13.34 13.26 9.32 9.01 3.35 3.23 1.22 1.19 1 1 1 1 1 1 1 1 1 1 P:y P:z P:y P:z P:y P:y P:z P:z P:x P:x -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 26 19 6 12 18 5 18 5 18 5 O O O O O O O O O O -7.700 2.00 221 A 9.15 8.69 7.00 6.69 6.26 5.95 5.08 4.84 4.18 4.00 2.16 2.14 2.06 2.03 2.01 1.95 1.95 1.89 1.85 1.80 1.59 1.52 1.06 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:z P:z P:z P:z P:x P:x P:y P:x P:y P:x P:y P:y P:x P:y P:x P:y P:z P:z P:y P:y P:y -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 26 6 19 12 7 20 16 3 17 11 14 10 23 28 16 3 25 19 4 12 10 28 7 20 10 O O O O O O O O O O O O O O O O O O O O O O O O O -7.690 2.00 222 A 7.08 6.91 6.87 6.63 5.23 5.15 4.50 4.34 3.50 3.38 2.28 2.23 2.23 2.16 2.16 2.12 1.89 1.81 1.72 1.69 1.67 1.65 1.50 1.47 1.36 1.35 1.13 1.13 1.10 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:y P:y P:y P:y P:x P:x P:x P:y P:x P:z P:y P:z P:x P:x P:z P:z P:z P:z P:x P:x P:z P:z P:x P:y P:x P:y -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 26 6 19 12 16 3 7 20 17 11 10 14 28 7 23 20 18 5 10 25 28 4 25 4 3 16 8 19 21 12 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -1.908 0.00 223 A 17.22 17.02 4.83 4.69 4.21 4.17 3.00 2.95 2.71 2.70 2.26 2.25 1.79 1.74 1.33 1.33 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:xz D:xy D:xy D:xz D:xz D:yz D:yz D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 30 34 30 34 36 32 30 34 29 38 38 29 30 34 33 31 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta -1.739 0.00 224 A 5.68 5.48 4.85 4.67 4.53 4.53 4.32 4.21 4.07 4.03 3.30 3.26 3.18 3.11 2.49 2.40 2.33 2.30 1.08 1.04 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xy D:xy D:x2-y2 D:x2-y2 D:yz D:yz D:xz D:xz D:yz D:yz D:xy D:xz D:xy D:xz D:x2-y2 D:x2-y2 P:x P:x D:xz D:xz D:x2-y2 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 0.60 30 34 30 34 31 33 36 32 37 35 29 30 38 34 29 38 5 18 37 35 31 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta Ta -1.693 0.00 225 A 10.14 9.93 8.67 8.48 5.64 5.55 5.04 4.81 3.14 3.10 2.61 2.57 1.51 1.49 1.29 1.29 1.29 1.29 1.25 1.24 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xy D:xy D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:xy D:xy D:x2-y2 D:x2-y2 P:x P:x P:x P:z P:z P:x P:y P:y D:yz -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.60 34 30 34 30 34 30 32 36 38 29 38 29 24 2 1 11 17 15 13 22 32 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O O O O O O O Ta -1.571 0.00 226 A 18.74 18.48 6.12 6.02 4.98 4.92 2.66 2.60 1.88 1.77 1.37 1.36 1.25 1.22 1.20 1.18 1.12 1.12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:xz D:yz D:yz D:xy D:xy D:x2-y2 D:x2-y2 D:xz D:xz P:x P:x D:xy P:z P:z D:xy P:x P:x -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -9.877 -9.877 -3.278 -9.877 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 1.33 1.33 0.60 1.33 1.33 34 30 30 34 30 34 34 30 32 36 21 8 38 13 22 29 24 2 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta O O Ta O O -1.400 0.00 227 A 6.82 6.69 4.62 4.57 4.34 4.33 2.94 2.92 2.65 2.61 2.57 2.49 2.33 2.30 1.89 1.88 1.82 1.82 1.81 1.70 1.27 1.27 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:xz D:x2-y2 D:x2-y2 D:yz D:yz D:z2 D:z2 D:xy D:xy D:yz D:yz D:xz D:xz S S D:xy D:xz D:xz D:xy P:z P:z -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -6.641 -6.641 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.00 1.00 0.60 0.60 0.60 0.60 1.33 1.33 36 32 29 38 37 35 33 31 29 38 34 30 31 33 40 39 34 35 37 30 11 17 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta H H Ta Ta Ta Ta O O -1.234 0.00 228 A 7.17 7.10 6.80 6.73 3.90 3.87 2.94 2.91 2.86 2.81 2.56 2.52 2.01 2.00 1.94 1.94 1.68 1.68 1.55 1.53 1.45 1.44 1.22 1.20 1.19 1.18 1.08 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:yz D:yz D:yz D:yz D:xz D:xz D:xy D:xy D:xz D:xz D:z2 D:z2 D:xz D:xz D:z2 D:z2 P:x P:x D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 P:x P:x D:x2-y2 D:yz D:yz -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 0.60 35 37 33 31 30 34 29 38 36 32 35 37 33 31 33 31 18 5 34 30 29 38 35 2 24 37 36 32 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta Ta O O Ta Ta Ta -1.171 0.00 229 A 16.90 16.80 8.04 7.96 3.41 3.39 2.49 2.48 1.76 1.76 1.55 1.54 1.10 1.09 1.09 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:yz D:yz D:z2 D:z2 D:xz D:xz P:z P:z D:xz D:xz P:z P:z P:y P:y D:x2-y2 D:x2-y2 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -9.877 -9.877 -9.877 -9.877 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 1.33 1.33 1.33 1.33 0.60 0.60 30 34 30 34 30 34 15 1 32 36 2 24 2 24 38 29 Ta Ta Ta Ta Ta Ta O O Ta Ta O O O O Ta Ta -1.010 0.00 230 A 8.13 8.13 6.48 6.39 4.01 3.98 3.79 3.79 1.85 1.83 1.67 1.65 1.62 1.61 1.38 1.34 1.19 1.17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:xz D:yz D:yz D:z2 D:z2 D:xy D:xy D:yz D:yz D:z2 D:xz D:z2 D:xz D:yz D:yz D:x2-y2 D:x2-y2 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 30 34 34 30 34 30 38 29 32 36 37 32 35 36 33 31 34 30 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta -0.941 0.00 231 A 11.50 11.49 6.40 6.35 5.66 5.61 3.25 3.22 2.45 2.43 2.30 2.30 2.04 2.04 1.72 1.69 1.56 1.54 1.36 1.35 1.05 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:xz D:xy D:xy D:x2-y2 D:x2-y2 D:xy D:xy P:x P:x D:x2-y2 D:x2-y2 P:x P:x D:yz D:yz D:xz D:xz D:xz D:xz P:y P:y -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 1.33 1.33 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 32 36 38 29 38 29 34 30 24 2 34 30 15 1 36 32 34 30 38 29 25 4 Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta O O Ta Ta Ta Ta Ta Ta O O -0.774 0.00 232 A 11.20 10.88 10.60 10.50 4.66 4.47 3.32 3.22 3.20 3.12 1.69 1.59 1.57 1.53 1.51 1.49 1.27 1.23 1.18 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:yz D:yz D:yz D:yz D:z2 D:z2 D:z2 D:z2 D:xz D:xz P:z P:z P:y P:y D:x2-y2 D:x2-y2 D:xz P:y D:xz P:y -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -9.877 -9.877 -3.278 -3.278 -3.278 -9.877 -3.278 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 1.33 1.33 0.60 0.60 0.60 1.33 0.60 1.33 33 37 35 31 33 31 37 35 35 37 23 14 4 25 33 31 33 28 31 10 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O O O Ta Ta Ta O Ta O -0.754 0.00 233 A 11.35 11.30 5.66 5.65 5.00 4.64 4.56 4.08 2.40 2.40 2.21 2.17 1.73 1.71 1.63 1.48 1.28 1.18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:yz D:yz D:z2 D:z2 D:yz D:yz D:yz D:yz D:xy D:xy D:x2-y2 D:x2-y2 P:y P:y D:z2 D:z2 D:xz D:xz -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 0.60 0.60 34 30 34 30 35 31 37 33 33 31 35 37 8 21 35 37 31 33 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta -0.677 0.00 234 A 8.06 8.02 6.55 6.52 4.48 4.36 4.35 4.29 3.88 3.70 2.76 2.73 2.28 2.26 2.16 2.08 1.58 1.54 1.50 1.49 1.09 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xy D:xy D:x2-y2 D:x2-y2 D:yz D:xz D:xz D:yz D:yz D:yz P:x P:x P:x P:x D:z2 D:z2 D:xz D:xz P:x P:x D:x2-y2 D:x2-y2 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 1.33 1.33 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 30 34 30 34 37 30 34 35 31 33 2 24 15 1 31 33 37 35 21 8 31 33 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O O O Ta Ta Ta Ta O O Ta Ta -0.319 0.00 235 A 7.67 7.54 5.93 5.89 4.78 4.76 3.43 3.39 3.27 3.27 2.15 2.15 2.01 1.98 1.72 1.71 1.52 1.49 1.18 1.17 1.17 1.17 1.07 1.06 1.01 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 1 1 1 2 2 1 1 1 1 D:xz D:xz D:x2-y2 D:x2-y2 S S D:z2 D:z2 S S D:z2 D:z2 D:yz D:yz S S P:z P:z D:x2-y2 D:xz D:xz D:x2-y2 P:y P:y S -3.278 -3.278 -3.278 -3.278 -6.641 -6.641 -3.278 -3.278 -5.945 -5.945 -3.278 -3.278 -3.278 -3.278 2.836 2.836 -9.877 -9.877 -3.278 3.659 3.659 -3.278 -9.877 -9.877 -26.243 0.60 0.60 0.60 0.60 1.00 1.00 0.60 0.60 2.00 2.00 0.60 0.60 0.60 0.60 0.00 0.00 1.33 1.33 0.60 0.00 0.00 0.60 1.33 1.33 2.00 37 35 31 33 40 39 37 35 34 30 31 33 31 33 39 40 3 16 32 37 35 36 7 20 27 Ta Ta Ta Ta H H Ta Ta Ta Ta Ta Ta Ta Ta H H O O Ta Ta Ta Ta O O O -0.260 0.00 236 A 4.16 4.10 3.66 3.63 3.43 3.42 3.40 3.39 3.23 3.23 3.21 3.20 2.96 2.93 2.62 2.61 2.07 2.05 1.90 1.88 1.65 1.64 1.55 1.52 1.23 1.22 1.22 1.21 1.21 1.17 1.01 1.00 1 1 1 1 2 2 2 2 3 3 3 3 1 1 3 3 1 1 1 1 1 1 2 2 3 1 3 3 3 1 1 1 D:xz D:xz D:x2-y2 D:x2-y2 S S S S S S S S S S S S D:xz D:xz D:xz D:xz D:xz D:xz S S S P:z S S S P:z D:x2-y2 D:x2-y2 -3.278 -3.278 -3.278 -3.278 -5.945 -5.945 -5.945 -5.945 1.493 1.493 1.493 1.493 -6.641 -6.641 1.493 1.493 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 2.836 2.836 1.493 -9.877 1.493 1.493 1.493 -9.877 -3.278 -3.278 0.60 0.60 0.60 0.60 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 0.00 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.00 0.00 1.33 0.00 0.00 0.00 1.33 0.60 0.60 37 35 33 31 35 33 31 37 35 33 31 37 39 40 30 34 32 36 29 38 30 34 39 40 36 3 29 38 32 16 30 34 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta H H Ta Ta Ta Ta Ta Ta Ta Ta H H Ta O Ta Ta Ta O Ta Ta -0.122 0.00 237 A 5.16 4.99 4.48 4.31 3.17 3.03 2.90 2.87 2.87 2.85 2.85 2.84 2.06 2.06 2.05 2.02 1.92 1.90 1.70 1.66 1.66 1.65 1.64 1.61 1.59 1.56 1.52 1.51 1.31 1.27 1.02 1.01 1 1 1 1 1 1 1 3 1 3 3 3 2 2 2 2 3 3 1 3 3 3 3 1 1 1 1 1 1 1 1 1 D:xz D:xz D:xz D:xz D:xz D:xz D:xy S D:xy S S S S S S S S S P:z S S S S P:z D:yz D:xy D:yz D:xy P:z P:z D:xz P:x -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 1.493 -3.278 1.493 1.493 1.493 -5.945 -5.945 -5.945 -5.945 1.493 1.493 -9.877 1.493 1.493 1.493 1.493 -9.877 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.60 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 1.33 0.60 0.60 0.60 0.60 1.33 1.33 0.60 1.33 33 31 37 35 29 38 35 33 37 31 35 37 35 31 33 37 34 30 20 32 29 38 36 7 33 32 31 36 3 16 32 6 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta Ta Ta O Ta Ta Ta Ta O O Ta O -0.092 0.00 238 A 7.80 7.58 4.04 3.99 3.59 3.54 2.65 2.62 2.23 2.21 2.15 2.13 2.12 2.00 1.62 1.62 1.58 1.54 1.47 1.46 1.39 1.36 1.35 1.34 1.30 1.26 1.10 1.08 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xy D:xy D:xz D:xz D:xy D:xy D:xy D:xy P:y D:x2-y2 P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:y P:y D:xz D:xz D:x2-y2 P:z D:x2-y2 P:z D:yz D:yz D:yz D:yz P:x -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -3.278 -9.877 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 -9.877 -3.278 -9.877 -3.278 -3.278 -3.278 -3.278 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 0.60 1.33 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 0.60 1.33 0.60 1.33 0.60 0.60 0.60 0.60 1.33 37 35 31 33 32 36 33 31 3 33 16 31 37 35 29 38 20 7 29 38 32 7 36 20 31 33 29 38 12 Ta Ta Ta Ta Ta Ta Ta Ta O Ta O Ta Ta Ta Ta Ta O O Ta Ta Ta O Ta O Ta Ta Ta Ta O -0.082 0.00 239 A 9.02 8.73 4.85 4.84 3.86 3.80 3.22 3.12 3.01 2.86 2.13 2.08 1.92 1.88 1.87 1.86 1.70 1.66 1.65 1.63 1.61 1.56 1.14 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:xz D:xy D:xy D:x2-y2 D:x2-y2 P:z P:z D:xz D:xz D:xy D:xy D:yz P:y D:yz P:y D:yz D:yz D:yz D:x2-y2 D:yz D:x2-y2 P:x P:x -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -3.278 -9.877 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 0.60 0.60 0.60 1.33 0.60 1.33 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 35 37 31 33 31 33 16 3 38 29 36 32 38 7 29 20 35 31 37 36 33 32 26 6 Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta Ta O Ta O Ta Ta Ta Ta Ta Ta O O -0.005 0.00 240 A 6.85 6.73 5.83 5.59 2.92 2.69 2.67 2.54 2.49 2.47 2.36 2.35 2.27 2.25 2.13 2.10 1.87 1.61 1.53 1.50 1.25 1.25 1.23 1.22 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:xy D:xz D:x2-y2 D:xy P:y P:y D:x2-y2 D:z2 D:z2 P:z P:z D:xy D:xy D:z2 D:z2 D:x2-y2 P:y P:y D:x2-y2 P:x -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 -3.278 0.004 0.004 -3.278 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 0.60 1.33 1.33 0.60 0.60 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0.155 0.00 242 A 4.84 4.82 4.74 4.69 3.45 3.44 2.98 2.89 2.80 2.73 2.58 2.53 2.36 2.33 1.94 1.93 -1.91 -1.91 1.90 1.89 1.88 1.88 1.86 1.85 1.75 1.73 1.34 1.34 1.29 1.26 1.13 1.13 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 3 3 3 3 2 3 2 2 1 1 1 1 1 1 1 1 1 D:xy D:xy D:yz D:yz D:xy D:xy D:xz D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:y P:y S S S S S S S S S S P:z P:z D:z2 D:z2 P:y P:y D:yz D:yz D:xz -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 1.493 -5.945 1.493 1.493 1.493 1.493 -5.945 1.493 -5.945 -5.945 -9.877 -9.877 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 1.33 1.33 0.60 0.60 1.33 1.33 0.60 0.60 0.60 35 37 31 33 31 33 35 37 33 31 35 37 16 3 36 36 30 34 29 38 29 32 38 32 22 13 35 37 20 7 35 37 31 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta O O Ta Ta Ta 0.211 0.00 243 A 8.73 8.23 7.83 7.37 3.43 3.38 3.24 3.23 2.69 2.53 2.06 1.95 1.27 1.27 1.22 1.18 1.18 1.16 1.03 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:yz D:yz D:yz D:yz P:z D:z2 D:z2 P:z P:y P:y D:z2 D:z2 D:xz P:z P:z D:yz D:xz D:yz D:z2 D:z2 D:xz -3.278 -3.278 -3.278 -3.278 -9.877 -3.278 -3.278 -9.877 -9.877 -9.877 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.60 0.60 0.60 0.60 1.33 0.60 0.60 1.33 1.33 1.33 0.60 0.60 0.60 1.33 1.33 0.60 0.60 0.60 0.60 0.60 0.60 29 38 32 36 12 32 36 19 6 26 29 38 29 1 15 30 38 34 30 34 33 Ta Ta Ta Ta O Ta Ta O O O Ta Ta Ta O O Ta Ta Ta Ta Ta Ta 0.242 0.00 244 A 10.44 10.23 10.03 9.73 4.59 4.39 4.03 3.85 3.61 3.44 3.06 2.88 2.15 2.10 1.67 1.59 1.12 1.06 1.06 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:yz D:yz D:yz D:yz P:z P:z P:y P:y D:z2 D:z2 D:z2 D:z2 D:xz D:xz D:xz D:xz P:z P:z D:x2-y2 D:x2-y2 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 0.60 0.60 0.60 0.60 1.33 1.33 1.33 1.33 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 36 38 32 29 19 12 26 6 38 29 36 32 36 32 38 29 15 1 38 29 Ta Ta Ta Ta O O O O Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta 0.287 0.00 245 A 8.74 8.72 7.15 7.13 3.40 3.35 3.25 3.24 2.99 2.97 2.01 2.00 2.00 2.00 1.94 1.92 1.72 1.72 1.40 1.40 1.40 1.39 1.10 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:xz D:xz D:xz D:xy D:xy P:z P:z D:yz D:yz P:z D:x2-y2 D:x2-y2 P:z D:xy D:xy D:x2-y2 D:x2-y2 P:y D:xz D:xz P:y D:z2 D:z2 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -9.877 -3.278 -3.278 -9.877 -3.278 -3.278 -3.278 -3.278 -9.877 -3.278 -3.278 -9.877 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 1.33 0.60 0.60 1.33 0.60 0.60 0.60 0.60 1.33 0.60 0.60 1.33 0.60 0.60 31 33 35 37 37 35 7 20 31 33 16 37 35 3 32 36 31 33 3 29 38 16 35 37 Ta Ta Ta Ta Ta Ta O O Ta Ta O Ta Ta O Ta Ta Ta Ta O Ta Ta O Ta Ta 0.357 0.00 246 A 5.32 5.29 5.24 5.23 3.43 3.33 3.20 3.15 2.47 2.46 2.00 1.98 1.84 1.82 1.76 1.74 1.62 1.61 1.33 1.33 1.32 1.32 1.22 1.20 1.12 1.12 1.11 1.09 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 D:x2-y2 D:xy D:xy D:x2-y2 D:xy D:xy D:yz D:yz D:z2 D:z2 D:z2 D:z2 P:z P:z D:z2 D:z2 D:xz D:xz P:z P:y P:y P:z P:y P:y D:yz D:yz P:y P:y -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.004 0.004 -3.278 -3.278 -3.278 -3.278 -9.877 0.004 0.004 -9.877 -9.877 -9.877 -3.278 -3.278 -9.877 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.00 0.60 0.60 0.60 0.60 1.33 0.00 0.00 1.33 1.33 1.33 0.60 0.60 1.33 1.33 31 35 37 33 36 32 29 38 30 34 29 38 29 38 32 36 33 31 6 36 32 26 7 20 34 30 19 12 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta O O O Ta Ta O O 0.405 0.00 247 A 5.86 5.86 5.85 5.78 5.75 5.72 5.71 5.68 3.46 3.46 2.64 2.60 2.29 2.29 2.27 2.27 1.67 1.67 1.53 1.52 1.27 1.25 1.20 -1.20 -1.19 1.18 1.12 1.11 1.02 1.01 3 3 3 3 2 2 2 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 S S S S S S S S S S S S D:xz D:xz D:xz D:xz D:xy D:xy D:x2-y2 D:x2-y2 D:yz D:yz D:xy P:x P:x D:xy P:z P:z P:x P:x 1.493 1.493 1.493 1.493 -5.945 -5.945 -5.945 -5.945 -6.641 -6.641 2.836 2.836 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.004 0.004 -3.278 -9.877 -9.877 -9.877 -9.877 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 1.00 1.00 0.00 0.00 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.00 0.60 1.33 1.33 1.33 1.33 35 33 31 37 31 35 37 33 39 40 39 40 37 35 36 32 31 33 31 33 37 35 29 34 30 38 3 16 5 18 Ta Ta Ta Ta Ta Ta Ta Ta H H H H Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O O O 0.568 0.00 248 A 6.91 6.80 6.68 6.65 5.21 5.12 5.05 5.02 3.33 3.29 -3.19 -3.17 2.84 2.80 2.36 2.32 2.08 2.04 -1.80 -1.80 1.65 1.58 1.40 1.40 1.08 1.07 3 3 3 3 2 2 2 2 1 1 2 2 1 1 1 1 1 1 3 3 1 1 1 1 2 2 S S S S S S S S D:z2 D:z2 S S D:xy D:xy D:yz D:yz D:z2 D:z2 S S D:xz D:xz D:x2-y2 D:x2-y2 P:x P:x 1.493 1.493 1.493 1.493 -5.945 -5.945 -5.945 -5.945 -3.278 -3.278 -5.945 -5.945 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 1.493 1.493 -3.278 -3.278 -3.278 -3.278 0.004 0.004 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.60 0.60 2.00 2.00 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.00 0.60 0.60 0.60 0.60 0.00 0.00 32 29 36 38 32 29 36 38 29 38 34 30 32 36 36 32 35 37 30 34 38 29 30 34 33 31 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 0.623 0.00 249 A 15.04 14.87 14.72 14.68 9.16 9.01 9.00 8.97 2.99 2.87 2.71 2.68 -2.01 -1.99 1.04 3 3 3 3 2 2 2 2 3 3 3 3 2 2 2 S S S S S S S S S S S S P:y P:y S 1.493 1.493 1.493 1.493 -5.945 -5.945 -5.945 -5.945 1.493 1.493 1.493 1.493 0.004 0.004 -5.945 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 36 38 29 32 36 29 38 32 35 33 31 37 34 30 35 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 0.640 0.00 250 A 5.71 4.88 4.43 4.22 4.12 4.00 3.94 3.92 3.83 3.65 3.01 2.82 2.80 2.79 2.72 2.30 1.88 1.70 1.54 1.42 1.34 1.34 1.33 1.32 1.32 1.32 1.32 1.31 1.23 1.21 1 1 2 2 2 1 1 2 1 1 1 3 1 3 3 3 1 1 1 1 1 1 1 1 1 2 1 1 1 2 D:xz D:xz S S S D:xy D:x2-y2 S D:xy D:x2-y2 D:xy S D:xy S S S D:xz D:xz P:x P:x P:x D:xy D:x2-y2 P:x D:xy D:xz P:x D:x2-y2 P:x D:xz -3.278 -3.278 -5.945 -5.945 -5.945 -3.278 -3.278 -5.945 -3.278 -3.278 -3.278 1.493 -3.278 1.493 1.493 1.493 -3.278 -3.278 -9.877 -9.877 -9.877 -3.278 -3.278 -9.877 -3.278 3.659 -9.877 -3.278 -9.877 3.659 0.60 0.60 2.00 2.00 2.00 0.60 0.60 2.00 0.60 0.60 0.60 0.00 0.60 0.00 0.00 0.00 0.60 0.60 1.33 1.33 1.33 0.60 0.60 1.33 0.60 0.00 1.33 0.60 1.33 0.00 38 29 37 33 31 36 36 35 32 32 35 33 37 31 37 35 31 33 26 17 19 38 33 6 29 38 11 31 12 29 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O O Ta Ta O Ta Ta O Ta O Ta 0.654 0.00 251 A 8.72 8.27 4.63 4.60 3.87 3.76 3.60 3.56 3.01 2.97 2.31 2.22 2.04 1.99 1.97 1.89 1.86 1.79 1.74 1.67 1.63 1.60 1.50 1.49 1.47 1.36 1.23 1.18 1.07 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xz D:xz D:xy D:xy D:x2-y2 D:x2-y2 D:yz D:yz D:yz D:yz P:x P:x P:z P:z P:z P:z P:y P:y D:z2 D:z2 D:yz D:yz P:y P:y D:xz D:xz D:xz D:xz D:z2 D:z2 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 0.60 0.60 0.60 0.60 36 32 29 38 38 29 35 37 33 31 18 5 14 23 17 11 25 4 35 37 36 32 28 10 38 31 33 29 31 33 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O O O O O O O Ta Ta Ta Ta O O Ta Ta Ta Ta Ta Ta 0.661 0.00 252 A 9.35 8.92 4.59 4.33 4.29 4.21 3.98 3.41 2.67 2.46 2.14 2.09 1.89 1.84 1.82 1.77 1.62 1.50 1.46 1.38 1.33 1.33 1.29 1.25 1.24 1.13 1.09 1.07 1.06 1.02 1.01 1 1 1 1 1 1 1 1 2 2 1 1 1 3 1 3 2 1 1 2 1 1 1 1 1 1 3 3 1 2 3 D:xz D:xz D:xz D:xz S D:x2-y2 S D:x2-y2 S S P:x P:x P:x S D:xy S S P:x D:xz S P:x D:xy P:x D:xz P:x D:xy S S P:x S S -3.278 -3.278 -3.278 -3.278 -6.641 -3.278 -6.641 -3.278 2.836 2.836 -9.877 -9.877 -9.877 1.493 -3.278 1.493 -5.945 -9.877 -3.278 -5.945 -9.877 -3.278 -9.877 -3.278 -9.877 -3.278 1.493 1.493 -9.877 -5.945 1.493 0.60 0.60 0.60 0.60 1.00 0.60 1.00 0.60 0.00 0.00 1.33 1.33 1.33 0.00 0.60 0.00 2.00 1.33 0.60 2.00 1.33 0.60 1.33 0.60 1.33 0.60 0.00 0.00 1.33 2.00 0.00 29 38 32 36 39 32 40 36 39 40 6 26 12 34 32 30 34 19 33 30 11 36 28 31 10 37 36 29 17 36 38 Ta Ta Ta Ta H Ta H Ta H H O O O Ta Ta Ta Ta O Ta Ta O Ta O Ta O Ta Ta Ta O Ta Ta 0.715 0.00 253 A 4.19 4.07 4.01 3.67 3.16 2.70 2.68 2.48 2.42 2.40 2.35 2.30 2.20 2.13 2.07 2.04 2.03 1.89 1.62 1.53 1.44 1.41 1.41 1.30 1.22 1.17 1.13 1.12 1.10 1.06 1.06 1.04 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 D:xy D:xy D:x2-y2 D:x2-y2 D:xz D:xz S D:yz D:yz D:x2-y2 S D:yz D:yz D:x2-y2 P:x D:z2 D:z2 P:x D:z2 S D:z2 P:y P:y S P:x D:xy P:x P:x P:x D:xz D:xy P:x -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -5.945 -3.278 -3.278 -3.278 -5.945 -3.278 -3.278 -3.278 -9.877 -3.278 -3.278 -9.877 -3.278 -6.641 -3.278 -9.877 -9.877 -6.641 -9.877 -3.278 -9.877 -9.877 -9.877 -3.278 -3.278 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 2.00 0.60 0.60 0.60 2.00 0.60 0.60 0.60 1.33 0.60 0.60 1.33 0.60 1.00 0.60 1.33 1.33 1.00 1.33 0.60 1.33 1.33 1.33 0.60 0.60 1.33 36 32 36 32 29 38 30 29 38 38 34 36 32 29 19 29 38 12 33 40 31 26 6 39 17 38 11 4 25 32 29 6 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta O Ta H Ta O O H O Ta O O O Ta Ta O 0.798 0.00 254 A 7.85 7.77 7.70 7.69 6.40 6.30 6.11 6.07 3.71 3.66 2.65 2.48 2.45 2.36 1.71 1.68 1.15 1.12 1.12 1.10 -1.09 -1.08 1.06 -1.02 2 2 2 2 3 3 3 3 3 3 2 1 2 1 1 1 1 1 1 1 2 2 1 2 S S S S S S S S S S S D:xy S D:xy D:yz D:yz D:x2-y2 D:x2-y2 D:x2-y2 D:xz P:z P:z D:x2-y2 P:z -5.945 -5.945 -5.945 -5.945 1.493 1.493 1.493 1.493 1.493 1.493 -5.945 -3.278 -5.945 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.004 0.004 -3.278 0.004 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.60 2.00 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.00 0.60 0.00 29 36 32 38 29 36 38 32 34 30 34 36 30 32 37 35 31 29 33 29 34 30 38 29 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 0.815 0.00 255 A 6.22 6.17 6.15 6.15 6.13 6.12 6.10 6.06 3.37 3.33 3.00 2.83 2.76 2.75 2.36 2.16 1.62 1.59 1.32 1.32 1.31 1.29 1.26 1.26 1.23 1.23 1.12 1.06 3 2 2 3 2 3 3 2 1 1 2 2 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 S S S S S S S S D:yz D:yz S S D:yz D:yz S S D:xy D:xy D:yz P:z P:z S D:xy S D:xy D:yz D:xz D:xz 1.493 -5.945 -5.945 1.493 -5.945 1.493 1.493 -5.945 -3.278 -3.278 -5.945 -5.945 -3.278 -3.278 1.493 1.493 -3.278 -3.278 -3.278 -9.877 -9.877 -6.641 -3.278 -6.641 -3.278 -3.278 -3.278 -3.278 0.00 2.00 2.00 0.00 2.00 0.00 0.00 2.00 0.60 0.60 2.00 2.00 0.60 0.60 0.00 0.00 0.60 0.60 0.60 1.33 1.33 1.00 0.60 1.00 0.60 0.60 0.60 0.60 31 35 33 37 31 35 33 37 31 33 30 34 35 37 30 34 35 37 32 22 13 40 38 39 29 36 36 32 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O H Ta H Ta Ta Ta Ta 0.941 0.00 256 A 3.93 3.86 3.69 3.69 3.57 3.55 2.52 2.49 2.48 2.39 2.11 2.11 2.10 2.08 2.08 2.03 1.79 1.75 1.69 1.68 1.67 1.58 1.48 1.45 1.26 1.24 1.23 1.23 1.17 1.17 1.17 1.16 1.16 1.15 1.06 1.04 1 1 2 2 2 2 1 1 3 3 1 3 3 3 1 3 1 1 1 1 2 2 1 1 1 2 1 2 2 1 1 2 1 1 1 1 D:yz D:yz S S S S D:xy D:xy S S D:x2-y2 S S S D:x2-y2 S D:x2-y2 D:x2-y2 D:yz D:yz S S D:xy D:xy D:xz S D:xz S S D:z2 P:z S P:z D:z2 D:x2-y2 D:x2-y2 -3.278 -3.278 -5.945 -5.945 -5.945 -5.945 -3.278 -3.278 1.493 1.493 -3.278 1.493 1.493 1.493 -3.278 1.493 -3.278 -3.278 -3.278 -3.278 -5.945 -5.945 -3.278 -3.278 -3.278 -5.945 -3.278 -5.945 -5.945 -3.278 -9.877 -5.945 -9.877 -3.278 -3.278 -3.278 0.60 0.60 2.00 2.00 2.00 2.00 0.60 0.60 0.00 0.00 0.60 0.00 0.00 0.00 0.60 0.00 0.60 0.60 0.60 0.60 2.00 2.00 0.60 0.60 0.60 2.00 0.60 2.00 2.00 0.60 1.33 2.00 1.33 0.60 0.60 0.60 36 32 31 37 33 35 38 29 34 30 30 32 36 38 34 29 36 32 30 34 34 30 30 34 38 36 29 32 38 29 1 29 15 38 29 38 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta O Ta Ta Ta 0.991 0.00 257 A 11.40 11.27 5.96 5.86 4.55 4.50 3.14 3.13 2.70 2.69 2.32 2.30 2.11 2.10 1.87 1.84 1.81 1.80 1.47 1.46 1.14 1.13 1.12 1.12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 D:yz D:yz D:z2 D:z2 D:yz D:yz P:y P:y P:y P:y P:z P:z D:xz D:xz D:yz D:x2-y2 D:x2-y2 D:yz P:z P:z P:z P:y P:y P:z -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -3.278 -3.278 3.659 -3.278 -3.278 3.659 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 1.33 1.33 1.33 1.33 0.60 0.60 0.00 0.60 0.60 0.00 1.33 1.33 1.33 1.33 1.33 1.33 32 36 29 38 38 29 5 18 6 26 12 19 32 36 36 38 29 32 1 15 5 24 2 18 Ta Ta Ta Ta Ta Ta O O O O O O Ta Ta Ta Ta Ta Ta O O O O O O 0.998 0.00 258 A 16.31 15.95 15.92 15.87 9.53 9.41 9.34 9.31 -1.73 -1.71 1.29 -1.28 -1.25 1.20 2 2 2 2 3 3 3 3 2 2 1 2 2 1 S S S S S S S S P:z P:z D:z2 D:z2 D:z2 D:z2 -5.945 -5.945 -5.945 -5.945 1.493 1.493 1.493 1.493 0.004 0.004 -3.278 3.659 3.659 -3.278 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.60 32 29 38 36 32 38 36 29 29 38 37 34 30 35 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 1.026 0.00 259 A 6.53 6.48 3.49 3.47 2.56 2.53 2.36 2.33 2.06 1.96 1.89 1.88 1.79 1.79 1.78 1.70 1.70 1.67 1.65 1.63 1.62 1.62 1.49 1.46 1.13 1.12 1.11 1.10 1.08 -1.08 1.06 1.06 1.02 -1.01 1.01 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 3 1 1 1 3 1 S S D:x2-y2 D:x2-y2 D:xz D:xz D:xy D:xy D:z2 D:z2 S S D:x2-y2 D:yz D:yz D:x2-y2 D:xz D:xz S S D:xz D:xz D:xy D:xy D:z2 D:xy D:z2 D:xy D:z2 S D:xy D:z2 P:y S P:y -5.945 -5.945 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -5.945 -5.945 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -5.945 -5.945 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 1.493 -3.278 -3.278 -9.877 1.493 -9.877 2.00 2.00 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 2.00 2.00 0.60 0.60 0.60 0.60 0.60 0.60 2.00 2.00 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.60 0.60 1.33 0.00 1.33 30 34 34 30 35 37 29 38 35 37 36 38 36 31 33 32 36 32 29 32 33 31 31 33 31 34 33 30 34 34 35 30 23 30 14 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta O 1.061 0.00 260 A 6.16 5.92 4.85 4.77 3.33 3.25 2.91 2.87 2.52 2.44 2.27 2.23 2.05 2.03 2.03 1.90 1.72 1.70 1.62 1.56 1.39 1.30 1.11 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:xz D:xy D:xy D:xz D:xz D:xy D:xy P:x P:x D:yz D:yz P:x P:x P:x P:x D:xz D:xz P:x P:x -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -9.877 -9.877 -9.877 -9.877 3.659 3.659 -9.877 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 0.60 1.33 1.33 1.33 1.33 0.00 0.00 1.33 1.33 29 38 32 36 33 31 36 32 35 37 37 35 11 17 33 31 12 19 6 26 29 38 25 4 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta O O O O Ta Ta O O 1.101 0.00 261 A 4.97 4.90 3.51 3.44 3.39 3.38 3.26 3.19 2.89 2.85 2.59 2.51 2.45 2.42 1.97 1.88 1.65 1.63 1.59 1.59 1.57 1.54 1.24 1.20 1.19 1.19 1.16 1.13 1.11 1.11 1.11 1.01 1 1 2 1 1 2 2 2 2 2 1 1 1 1 2 2 3 3 3 3 1 1 3 3 3 1 3 3 1 3 1 1 S S S D:x2-y2 D:x2-y2 S S S S S D:xy D:yz D:xy D:yz S S S S S S D:z2 D:z2 S S S P:z S S P:z S D:x2-y2 D:x2-y2 -6.641 -6.641 -5.945 -3.278 -3.278 -5.945 -5.945 -5.945 2.836 2.836 -3.278 -3.278 -3.278 -3.278 -5.945 -5.945 1.493 1.493 1.493 1.493 -3.278 -3.278 1.493 1.493 1.493 -9.877 1.493 1.493 -9.877 1.493 -3.278 -3.278 1.00 1.00 2.00 0.60 0.60 2.00 2.00 2.00 0.00 0.00 0.60 0.60 0.60 0.60 2.00 2.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 1.33 0.00 0.00 1.33 0.00 0.60 0.60 40 39 38 33 31 29 32 36 40 39 35 29 37 38 34 30 33 31 37 35 36 32 38 29 34 26 30 32 6 36 36 32 H H Ta Ta Ta Ta Ta Ta H H Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta O Ta Ta Ta 1.414 0.00 262 A 11.24 11.24 4.52 4.49 4.17 4.10 3.77 3.72 3.72 3.69 3.27 3.27 2.62 2.61 2.53 2.51 2.38 2.36 2.34 2.33 2.19 2.15 1.23 1.23 -1.19 -1.17 1.05 1.04 1 1 2 2 2 2 2 2 2 2 3 3 3 3 1 1 3 1 1 3 1 1 2 2 2 2 1 1 S S S S S S S S S S S S S S D:xz D:xz S D:yz D:yz S D:z2 D:z2 D:xz D:xz P:z P:z D:xz D:xz -6.641 -6.641 -5.945 -5.945 -5.945 -5.945 -5.945 2.836 2.836 -5.945 1.493 1.493 1.493 1.493 -3.278 -3.278 1.493 -3.278 -3.278 1.493 -3.278 -3.278 3.659 3.659 10.312 10.312 -3.278 -3.278 1.00 1.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.60 0.60 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.60 40 39 34 30 35 37 31 39 40 33 30 34 35 37 29 38 31 38 29 33 36 32 30 34 27 9 32 36 H H Ta Ta Ta Ta Ta H H Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta 1.434 0.00 263 A 7.07 7.01 6.22 6.16 5.11 5.08 3.60 3.44 3.17 3.07 2.52 2.50 1.85 1.84 1.83 1.81 1.78 1.77 1.65 1.64 1.64 1.59 1.59 1.58 1.32 1.30 1.28 1.23 1.23 1.16 1.12 1.11 1.00 2 2 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 S S S S D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy P:x D:x2-y2 D:x2-y2 P:x D:x2-y2 D:x2-y2 S P:x S S S P:x D:z2 D:z2 P:x P:x D:xy D:xy P:x P:x D:x2-y2 -5.945 -5.945 -5.945 -5.945 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.004 -3.278 -3.278 0.004 -3.278 -3.278 -5.945 0.004 -5.945 -5.945 -5.945 0.004 -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -9.877 -9.877 -3.278 2.00 2.00 2.00 2.00 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.60 0.60 0.00 0.60 0.60 2.00 0.00 2.00 2.00 2.00 0.00 0.60 0.60 1.33 1.33 0.60 0.60 1.33 1.33 0.60 37 31 33 35 32 36 29 38 38 29 33 31 33 31 35 31 33 37 36 35 29 32 38 37 37 35 3 16 37 35 7 20 32 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta O O Ta 1.463 0.00 264 A 14.25 13.83 13.38 13.00 9.14 8.97 8.88 8.75 2.24 2.14 1.69 1.69 -1.61 -1.56 -1.56 -1.53 1.46 1.33 -1.32 -1.32 -1.27 -1.20 1.09 1.01 2 2 2 2 3 3 3 3 1 1 1 1 2 2 2 2 1 1 2 2 2 2 1 1 S S S S S S S S D:xy D:xy D:xz D:xz P:x P:x P:x P:x D:x2-y2 D:x2-y2 P:x P:x P:y P:y D:xy D:xy -5.945 -5.945 -5.945 -5.945 1.493 1.493 1.493 1.493 -3.278 -3.278 -3.278 -3.278 0.004 0.004 0.004 0.004 -3.278 -3.278 0.004 0.004 0.004 0.004 -3.278 -3.278 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.60 0.60 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.60 33 35 31 37 33 35 31 37 32 36 38 29 35 37 32 36 36 32 38 29 33 31 35 29 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 1.722 0.00 265 A 16.14 16.03 16.02 15.97 5.83 5.82 2.11 2.09 2.09 2.08 -1.60 -1.58 1.50 1.50 1.20 1.19 1.02 1.02 2 3 2 3 1 1 1 1 1 1 2 2 2 2 2 2 2 2 S S S S S S D:yz D:yz D:yz D:yz P:y P:y D:xz D:xz S S D:yz D:yz -5.945 1.493 -5.945 1.493 -6.641 -6.641 -3.278 -3.278 -3.278 -3.278 0.004 0.004 3.659 3.659 2.836 2.836 3.659 3.659 2.00 0.00 2.00 0.00 1.00 1.00 0.60 0.60 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 30 34 34 40 39 29 38 36 32 38 29 30 34 40 39 37 35 Ta Ta Ta Ta H H Ta Ta Ta Ta Ta Ta Ta Ta H H Ta Ta 1.948 0.00 266 A 5.92 5.90 5.90 5.84 4.51 4.47 4.37 4.32 3.61 3.58 3.32 3.27 3.21 3.14 2.15 2.10 2.04 1.98 -1.96 -1.91 1.67 1.60 -1.54 -1.49 1.41 1.38 1.15 1.12 1.10 1.09 1 2 1 2 3 3 3 3 1 1 1 1 1 1 2 2 3 3 2 2 3 3 2 2 1 1 2 2 2 2 D:z2 S D:z2 S S S S S D:yz D:yz D:x2-y2 D:x2-y2 D:z2 D:z2 P:z P:z S S P:x P:x S S P:x P:x D:xy D:xy S P:y S P:y -3.278 -5.945 -3.278 -5.945 1.493 1.493 1.493 1.493 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.004 0.004 1.493 1.493 0.004 0.004 1.493 1.493 0.004 0.004 -3.278 -3.278 -5.945 0.004 -5.945 0.004 0.60 2.00 0.60 2.00 0.00 0.00 0.00 0.00 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.60 2.00 0.00 2.00 0.00 36 34 32 30 31 33 37 35 29 38 30 34 29 38 38 29 29 38 37 35 36 32 31 33 30 34 29 32 38 36 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 1.951 0.00 267 A 4.63 4.53 4.46 4.41 3.78 3.75 3.14 3.08 3.01 2.97 2.81 2.77 2.77 2.75 2.74 2.71 2.63 2.60 1.63 1.63 1.60 1.60 1.25 1.21 1.20 1.20 1.10 1.07 1 1 1 1 1 1 3 3 1 1 1 1 1 3 1 3 1 1 1 1 1 1 1 1 1 1 2 2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 S S D:z2 D:z2 D:xy D:xy D:xy S D:xy S D:yz D:yz D:xy D:xy D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:xz P:y P:y -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 1.493 1.493 -3.278 -3.278 -3.278 -3.278 -3.278 1.493 -3.278 1.493 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.004 0.004 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.00 0.60 0.60 0.60 0.60 0.60 0.00 0.60 0.00 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.00 29 38 32 36 35 37 32 36 33 31 32 33 31 29 36 38 37 35 29 38 33 31 29 38 35 37 32 36 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 2.014 0.00 268 A 16.25 16.18 3.60 3.49 3.46 3.43 2.91 2.89 2.89 2.80 2.62 2.61 -2.53 -2.44 2.38 2.28 2.22 2.12 -1.90 -1.90 -1.70 -1.70 1.63 1.61 1.59 1.56 1.55 1.51 1.49 1.49 1.31 1.30 1.29 1.24 1.23 1.23 1.19 1.15 1.15 1.10 1.08 1.07 1.06 1.06 1.02 1.01 1 1 2 2 2 2 3 3 3 3 1 1 2 2 2 2 1 1 2 2 2 2 3 1 1 1 3 2 1 2 1 1 3 1 3 1 1 3 1 3 2 2 2 2 2 2 S S S S S S S S S S D:xy D:xy D:x2-y2 D:x2-y2 S S D:z2 D:z2 P:x P:x P:z P:z S D:xy D:xy D:x2-y2 S D:xz D:x2-y2 D:xz D:z2 D:z2 S P:x S P:x D:yz S D:yz S D:xy D:xz D:xy D:xz S S -6.641 -6.641 -5.945 -5.945 -5.945 -5.945 1.493 1.493 1.493 1.493 -3.278 -3.278 3.659 3.659 2.836 2.836 -3.278 -3.278 10.312 10.312 10.312 10.312 1.493 -3.278 -3.278 -3.278 1.493 3.659 -3.278 3.659 -3.278 -3.278 1.493 -9.877 1.493 -9.877 -3.278 1.493 -3.278 1.493 3.659 3.659 3.659 3.659 -5.945 -5.945 1.00 1.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.60 0.60 0.60 0.00 0.00 0.60 0.00 0.60 0.60 0.00 1.33 0.00 1.33 0.60 0.00 0.60 0.00 0.00 0.00 0.00 0.00 2.00 2.00 39 40 38 32 29 36 38 36 29 32 36 32 34 30 40 39 38 29 27 9 9 27 34 34 30 34 30 37 30 35 31 33 35 27 33 9 35 37 37 31 36 32 32 36 37 35 H H Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta H H Ta Ta O O O O Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta O Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 2.085 0.00 269 A 9.56 9.53 9.52 9.49 6.93 6.92 6.88 6.88 2.64 2.58 1.93 1.93 1.90 1.90 1.86 1.86 1.75 1.74 1.58 1.58 1.49 1.46 -1.25 -1.24 -1.17 -1.17 2 2 2 2 3 3 3 3 1 1 1 1 1 1 2 2 2 2 1 1 1 1 2 2 2 2 S S S S S S S S D:xy D:xy D:x2-y2 D:z2 D:z2 D:x2-y2 S S S S D:z2 D:z2 D:x2-y2 D:x2-y2 P:x P:x P:y P:y -5.945 -5.945 -5.945 -5.945 1.493 1.493 1.493 1.493 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -5.945 -5.945 -5.945 -5.945 -3.278 -3.278 -3.278 -3.278 0.004 0.004 0.004 0.004 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.60 0.60 0.60 0.60 0.60 0.60 2.00 2.00 2.00 2.00 0.60 0.60 0.60 0.60 0.00 0.00 0.00 0.00 31 33 37 35 37 33 31 35 33 31 35 35 37 37 32 36 29 38 32 36 33 31 37 35 32 36 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 2.146 0.00 270 A 13.67 13.57 11.20 10.93 3.64 3.62 3.58 3.56 2.87 2.83 2.48 2.45 2.41 2.40 2.28 2.25 -2.10 -2.09 2.07 2.05 1.64 1.63 -1.47 -1.46 1.42 1.41 1.31 1.28 -1.24 -1.23 1.20 1.20 1.11 1.10 2 2 3 3 1 1 2 2 2 2 2 2 2 2 1 1 2 2 2 2 1 1 2 2 2 2 1 1 2 2 2 2 1 1 S S S S S S D:z2 D:z2 D:yz D:yz S S S S D:z2 D:z2 P:z P:z D:xz D:xz D:x2-y2 D:x2-y2 P:y P:y D:z2 D:z2 D:x2-y2 D:x2-y2 P:y P:y D:yz D:yz D:xy D:xy -5.945 -5.945 1.493 1.493 -6.641 -6.641 3.659 3.659 3.659 3.659 -5.945 -5.945 -5.945 -5.945 -3.278 -3.278 0.004 0.004 3.659 3.659 -3.278 -3.278 0.004 0.004 3.659 3.659 -3.278 -3.278 0.004 0.004 3.659 3.659 -3.278 -3.278 2.00 2.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.60 34 30 30 34 40 39 36 32 29 38 29 38 36 32 32 36 34 30 37 35 30 34 29 38 30 34 38 29 32 36 34 30 30 34 Ta Ta Ta Ta H H Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 2.361 0.00 271 A 5.82 5.44 4.21 3.95 3.80 3.72 3.71 3.44 3.07 2.95 2.93 2.91 2.85 2.78 2.78 2.74 2.47 2.44 2.33 2.32 2.06 2.04 2.01 1.89 -1.70 -1.60 1.38 1.32 1.14 1.13 -1.09 1.08 -1.08 -1.08 1.07 -1.06 1.05 1.01 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 2 3 3 2 2 2 1 2 1 2 2 1 1 1 1 2 1 2 2 1 2 1 1 D:z2 D:z2 D:x2-y2 D:x2-y2 D:yz D:xy D:yz D:xy D:z2 D:z2 D:xy D:yz D:yz D:yz D:xy D:yz S S D:xy D:xy D:xz D:z2 D:xz D:z2 S S D:xz D:xz D:x2-y2 D:z2 P:y D:z2 P:y P:x P:x P:x D:x2-y2 D:x2-y2 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 3.659 3.659 3.659 -3.278 3.659 1.493 1.493 3.659 3.659 3.659 -3.278 3.659 -3.278 -5.945 -5.945 -3.278 -3.278 -3.278 -3.278 0.004 -3.278 0.004 0.004 -9.877 0.004 -3.278 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.60 2.00 2.00 0.60 0.60 0.60 0.60 0.00 0.60 0.00 0.00 1.33 0.00 0.60 0.60 35 37 30 34 35 33 37 31 31 33 30 29 38 36 34 32 34 30 36 32 38 30 29 34 34 30 33 31 33 32 38 36 29 36 9 32 31 38 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta Ta 2.424 0.00 272 A 4.69 4.47 4.32 3.55 2.89 2.70 2.57 2.50 2.43 2.40 2.27 2.22 2.20 2.14 2.13 2.13 2.07 2.00 1.96 1.95 1.92 1.73 1.73 1.67 1.65 1.62 1.62 1.61 1.55 1.41 -1.35 1.32 -1.22 1.18 1 1 1 1 1 1 2 2 1 1 1 2 2 3 3 1 1 2 2 3 3 1 1 2 1 1 1 1 2 1 2 1 2 1 D:xy D:z2 D:xy D:z2 D:x2-y2 D:x2-y2 D:xz S D:x2-y2 D:x2-y2 D:x2-y2 D:xz P:x S S D:z2 D:xy P:x S S S D:z2 D:z2 D:x2-y2 D:z2 D:xy D:x2-y2 D:xy D:x2-y2 D:x2-y2 P:z D:x2-y2 P:z D:xy -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 3.659 -5.945 -3.278 -3.278 -3.278 3.659 0.004 1.493 1.493 -3.278 -3.278 0.004 -5.945 1.493 1.493 -3.278 -3.278 3.659 -3.278 -3.278 -3.278 -3.278 3.659 -3.278 0.004 -3.278 0.004 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.00 2.00 0.60 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.60 0.00 2.00 0.00 0.00 0.60 0.60 0.00 0.60 0.60 0.60 0.60 0.00 0.60 0.00 0.60 0.00 0.60 31 37 33 35 30 32 31 30 35 36 34 33 33 33 35 30 30 31 34 31 37 29 34 37 38 34 37 38 35 33 31 31 33 29 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta 2.442 0.00 273 A 6.10 5.95 5.13 4.70 3.90 3.71 3.60 3.23 3.02 3.00 2.91 2.77 2.58 2.41 2.41 2.40 2.38 2.37 1.96 1.95 1.87 1.84 1.74 1.64 1.61 -1.55 1.51 -1.46 1.45 1.41 -1.24 1.24 -1.23 -1.20 -1.18 1.17 1.14 1.11 1.11 1.10 1.04 2 2 1 1 2 1 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 2 2 2 2 2 1 2 2 1 D:xz D:xz D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:xz P:x D:z2 D:xz P:x D:xy D:xy D:x2-y2 D:x2-y2 D:z2 D:xy D:xy D:xy D:x2-y2 D:xy P:x D:yz P:x D:z2 D:z2 P:x D:yz D:x2-y2 P:x D:x2-y2 D:xy S D:yz D:yz S D:yz 3.659 3.659 -3.278 -3.278 3.659 -3.278 3.659 -3.278 -3.278 -3.278 3.659 -9.877 -3.278 3.659 -9.877 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.004 -3.278 0.004 -3.278 -3.278 10.312 -3.278 3.659 10.312 3.659 3.659 2.836 -3.278 3.659 2.836 -3.278 0.00 0.00 0.60 0.60 0.00 0.60 0.00 0.60 0.60 0.60 0.00 1.33 0.60 0.00 1.33 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.60 0.00 0.60 0.60 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.60 38 29 31 33 36 37 32 34 35 36 32 13 32 36 22 34 29 30 29 34 37 38 30 38 35 38 33 29 35 30 13 31 34 22 30 35 40 35 30 39 37 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta O Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta O Ta Ta H Ta Ta H Ta 2.494 0.00 274 A 10.24 10.22 5.15 5.15 4.82 4.82 4.05 4.02 3.57 3.54 3.51 3.49 -3.34 -3.33 3.25 3.25 3.16 3.15 -3.06 -3.06 2.50 2.49 2.30 2.29 2.18 2.18 2.06 2.06 2.00 1.97 1.92 1.92 1.79 1.79 1.55 1.55 -1.24 -1.24 1.22 1.21 1.20 1.19 -1.18 -1.18 -1.13 -1.12 1.04 1.03 2 2 1 1 2 2 2 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 D:xz D:xz D:z2 D:z2 D:xy D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 D:xy D:xy P:x P:x D:xz D:xz D:x2-y2 D:x2-y2 P:x P:x D:xz D:xz D:yz D:yz D:xz D:xz D:z2 D:z2 D:xy D:xy D:yz D:yz D:z2 D:z2 D:yz D:yz P:x P:x D:x2-y2 D:x2-y2 D:xy D:xy P:x P:x P:x P:x D:xz D:xz 3.659 3.659 -3.278 -3.278 3.659 3.659 3.659 3.659 -3.278 -3.278 3.659 3.659 0.004 0.004 3.659 3.659 3.659 3.659 0.004 0.004 3.659 3.659 -3.278 -3.278 3.659 3.659 3.659 3.659 -3.278 -3.278 -3.278 -3.278 3.659 3.659 3.659 3.659 10.312 10.312 3.659 3.659 3.659 3.659 10.312 10.312 10.312 10.312 3.659 3.659 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.60 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 29 33 31 30 34 36 32 37 35 32 36 38 29 36 32 34 30 36 32 37 35 31 33 30 34 33 31 35 37 35 37 35 37 33 31 6 26 33 31 35 37 12 19 17 11 31 33 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta O O O O Ta Ta 2.678 0.00 275 A 13.51 13.39 6.32 6.27 5.93 5.81 4.51 4.48 4.16 4.11 -3.40 -3.40 -3.39 -3.39 3.34 3.27 2.32 2.32 2.16 2.15 -2.15 -2.15 1.86 1.83 1.70 1.68 -1.64 -1.64 1.62 1.62 1.59 1.58 1.57 1.48 -1.38 -1.38 1.38 1.37 1.20 1.18 1.15 1.09 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 2 2 1 1 2 2 2 2 2 2 1 1 2 2 2 2 D:yz D:yz D:z2 D:z2 D:yz D:yz D:yz D:yz D:yz D:yz P:z P:y P:y P:z D:z2 D:z2 P:y P:y D:yz D:yz P:z P:z D:x2-y2 D:x2-y2 D:z2 D:z2 P:y P:y D:z2 D:z2 D:xz D:xz D:yz D:yz P:y P:y D:z2 D:z2 D:xy D:xy D:xz D:xz 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 0.004 0.004 0.004 0.004 3.659 3.659 0.004 0.004 -3.278 -3.278 10.312 10.312 3.659 3.659 3.659 3.659 10.312 10.312 -3.278 -3.278 3.659 3.659 3.659 3.659 10.312 10.312 -3.278 -3.278 3.659 3.659 3.659 3.659 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 32 36 29 38 29 38 33 31 37 35 36 29 38 32 30 34 34 30 36 32 19 12 29 38 37 35 6 26 34 30 32 36 34 30 5 18 38 29 38 29 33 31 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta O O Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta Ta Ta 2.743 0.00 276 A 3.30 3.26 2.90 2.88 2.69 2.67 2.64 2.63 2.62 2.59 2.47 2.45 2.45 2.45 2.41 2.39 2.39 2.32 2.26 2.23 1.55 1.52 1.52 1.51 1.50 1.46 1.45 1.44 1.43 1.41 1.35 1.34 1.32 1.30 1.30 1.30 1.29 1.28 1.26 1.21 1.19 1.19 1.18 1.16 1.16 1.16 1 1 1 1 1 2 2 1 2 2 2 1 1 2 1 1 2 2 2 2 2 1 1 1 1 1 2 1 1 1 2 2 2 2 2 2 1 1 1 1 2 1 1 2 2 2 D:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 D:yz D:yz D:x2-y2 D:xy D:xy D:xy D:xy D:xy D:xy D:z2 D:z2 D:xz D:xz D:yz D:yz S D:x2-y2 D:xy D:x2-y2 D:z2 D:z2 S D:xy D:xy D:xy S S D:xz S D:xz S D:xz D:xz S D:z2 D:x2-y2 D:z2 S D:x2-y2 D:xy D:xy -3.278 -3.278 -3.278 -3.278 -3.278 3.659 3.659 -3.278 3.659 3.659 3.659 -3.278 -3.278 3.659 -3.278 -3.278 3.659 3.659 3.659 3.659 -5.945 -3.278 -3.278 -3.278 -3.278 -3.278 -5.945 -3.278 -3.278 -3.278 -5.945 -5.945 3.659 -5.945 3.659 -5.945 -3.278 -3.278 -6.641 -3.278 3.659 -3.278 -6.641 3.659 3.659 3.659 0.60 0.60 0.60 0.60 0.60 0.00 0.00 0.60 0.00 0.00 0.00 0.60 0.60 0.00 0.60 0.60 0.00 0.00 0.00 0.00 2.00 0.60 0.60 0.60 0.60 0.60 2.00 0.60 0.60 0.60 2.00 2.00 0.00 2.00 0.00 2.00 0.60 0.60 1.00 0.60 0.00 0.60 1.00 0.00 0.00 0.00 37 35 33 31 31 35 37 33 38 29 37 37 35 35 38 29 36 32 31 33 30 32 38 36 31 33 34 29 32 36 35 33 31 31 33 37 32 36 40 35 32 37 39 36 34 30 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta H Ta Ta Ta H Ta Ta Ta 2.877 0.00 277 A 5.43 5.36 4.08 4.08 3.29 3.16 3.14 3.07 3.06 3.00 2.59 2.51 2.49 2.47 2.44 2.37 -2.31 -2.30 2.03 2.02 1.97 1.92 1.81 1.76 1.76 1.75 1.75 1.73 1.72 1.72 1.63 1.60 1.59 1.57 1.40 1.38 1.38 1.31 -1.27 -1.26 1.22 1.22 1.19 1.19 1.13 1.10 -1.05 -1.04 1.02 1.00 1 1 1 1 1 1 1 1 2 2 2 1 1 2 1 1 2 2 2 2 2 2 3 2 2 2 2 2 3 2 2 1 1 2 2 2 2 2 2 2 1 1 2 2 1 1 2 2 1 1 D:x2-y2 D:x2-y2 P:x P:x D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:xz D:z2 D:z2 D:xz D:xy D:xy P:x P:x P:x P:x D:z2 D:z2 S D:xz D:yz D:xy D:xy D:yz S D:xz D:yz D:yz D:yz D:yz D:xy D:xy D:x2-y2 D:x2-y2 S S P:x P:x P:z P:z D:z2 D:z2 P:z P:z D:xz D:xz -3.278 -3.278 -9.877 -9.877 -3.278 -3.278 -3.278 -3.278 3.659 3.659 3.659 -3.278 -3.278 3.659 -3.278 -3.278 10.312 10.312 0.004 0.004 3.659 3.659 1.493 3.659 3.659 3.659 3.659 3.659 1.493 3.659 3.659 -3.278 -3.278 3.659 3.659 3.659 3.659 3.659 -5.945 -5.945 -9.877 -9.877 0.004 0.004 -3.278 -3.278 10.312 10.312 -3.278 -3.278 0.60 0.60 1.33 1.33 0.60 0.60 0.60 0.60 0.00 0.00 0.00 0.60 0.60 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.00 2.00 2.00 1.33 1.33 0.00 0.00 0.60 0.60 0.00 0.00 0.60 0.60 34 30 22 13 37 35 31 33 33 31 35 33 31 37 34 30 22 13 34 30 34 30 30 34 31 30 34 33 34 30 37 37 35 35 38 29 35 37 30 34 27 9 30 34 30 34 7 20 35 37 Ta Ta O O Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta O O Ta Ta 2.949 0.00 278 A 4.92 4.89 3.74 3.71 2.93 2.84 2.82 2.74 2.44 2.42 2.39 2.38 2.35 2.28 2.13 2.12 2.12 2.07 1.99 1.99 1.98 1.96 1.46 1.44 1.42 1.41 1.27 1.26 1.26 1.23 1.16 1.16 1.16 1.15 1.12 1.12 1.11 1.09 1.09 1.08 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 2 2 2 2 1 1 1 1 1 1 1 1 1 1 3 1 3 1 3 3 1 D:xy D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 D:xy D:z2 D:xy D:z2 P:x D:x2-y2 D:x2-y2 P:x P:x D:yz P:x D:yz D:z2 D:z2 P:x P:x P:x P:z P:x P:z P:x P:y P:y P:x S D:yz S D:yz S S P:x -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 0.004 -3.278 -3.278 0.004 0.004 3.659 0.004 3.659 3.659 3.659 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 -9.877 1.493 -3.278 1.493 -3.278 1.493 1.493 -9.877 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.60 0.00 0.60 0.00 0.00 1.33 31 33 35 37 34 30 37 35 31 33 37 32 35 36 31 33 31 33 37 38 35 29 32 36 7 20 21 21 8 8 3 8 21 16 31 34 37 30 33 35 23 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O O O O O O O O O Ta Ta Ta Ta Ta Ta O 3.012 0.00 279 A 5.99 5.94 3.77 3.75 3.58 3.56 3.12 3.11 2.98 2.97 2.53 2.49 2.01 1.97 1.87 1.87 1.83 1.81 1.81 1.79 1.71 1.67 1.66 1.66 1.65 1.65 1.60 1.59 -1.46 -1.46 -1.36 -1.36 1.28 1.27 1.19 1.17 1.16 1.16 1.15 1.13 1.06 1.05 1 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 1 1 1 1 1 1 2 2 1 1 D:z2 D:z2 D:yz D:yz D:z2 D:z2 D:yz D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:z2 D:z2 D:yz D:yz P:z P:z D:z2 P:z D:z2 D:x2-y2 D:x2-y2 P:z D:yz D:yz P:z P:z P:y P:y D:xy D:xy D:x2-y2 D:x2-y2 P:x P:x D:xz D:xz D:xy D:xy -3.278 -3.278 3.659 3.659 -3.278 -3.278 -3.278 -3.278 3.659 3.659 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 -3.278 -9.877 -3.278 -3.278 -3.278 -9.877 3.659 3.659 0.004 0.004 0.004 0.004 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 3.659 3.659 -3.278 -3.278 0.60 0.60 0.00 0.00 0.60 0.60 0.60 0.60 0.00 0.00 0.60 0.60 0.60 0.60 0.60 0.60 0.60 0.60 1.33 1.33 0.60 1.33 0.60 0.60 0.60 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.60 0.60 0.60 1.33 1.33 0.00 0.00 0.60 0.60 32 36 29 38 30 34 29 38 36 32 35 37 31 33 38 29 30 34 8 21 37 5 35 31 33 18 36 32 32 36 29 38 34 30 29 38 8 21 38 29 29 38 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta O Ta Ta Ta O Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta 3.121 0.00 280 A 6.48 6.46 6.45 6.26 5.73 5.70 4.79 4.64 4.21 4.20 3.27 3.25 2.97 2.92 2.89 2.87 2.84 2.78 2.21 2.21 2.20 2.19 1.71 1.70 1.42 1.40 1.31 1.24 1.15 -1.13 -1.13 1.11 -1.01 -1.01 -1.00 -1.00 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 1 2 2 1 2 2 2 2 D:x2-y2 D:xy D:x2-y2 D:xy D:xz D:xz D:xz D:xz P:x P:x D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 P:x D:z2 D:z2 P:x P:y P:y D:xy D:xy D:x2-y2 D:x2-y2 S P:x P:x S S S S S 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 0.004 0.004 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 0.004 3.659 3.659 0.004 0.004 0.004 -3.278 -3.278 3.659 3.659 -6.641 0.004 0.004 -6.641 26.213 26.213 26.213 26.213 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 33 35 31 37 30 34 29 38 33 31 36 32 34 30 36 33 31 32 37 37 35 35 37 35 32 36 37 35 40 34 30 39 7 3 16 20 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta H Ta Ta H O O O O 3.357 0.00 281 A 4.53 4.49 3.50 3.40 3.30 3.28 2.57 2.45 2.44 2.36 2.18 2.16 2.00 1.94 1.93 1.92 1.90 1.85 1.84 1.81 1.70 1.69 1.51 1.51 1.49 1.47 1.45 1.41 1.40 1.37 1.37 1.35 1.30 1.28 1.22 1.22 1.21 1.21 1.09 1.08 1.07 1.06 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 2 1 2 1 2 2 2 2 2 1 2 1 1 1 1 1 D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:xz D:xz D:xz D:xz D:xy D:xy P:z P:z D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:z2 D:z2 D:x2-y2 P:y P:y D:x2-y2 D:xy P:z D:x2-y2 P:z D:xy D:x2-y2 D:yz D:yz D:z2 P:y D:z2 P:y D:xz P:y P:y D:xz -3.278 -3.278 -3.278 -3.278 -3.278 -3.278 3.659 3.659 -3.278 -3.278 -3.278 -3.278 -9.877 -9.877 3.659 -3.278 3.659 -3.278 -3.278 -3.278 3.659 3.659 -3.278 -9.877 -9.877 -3.278 3.659 -9.877 3.659 -9.877 3.659 3.659 3.659 3.659 3.659 -9.877 3.659 -9.877 -3.278 -9.877 -9.877 -3.278 0.60 0.60 0.60 0.60 0.60 0.60 0.00 0.00 0.60 0.60 0.60 0.60 1.33 1.33 0.00 0.60 0.00 0.60 0.60 0.60 0.00 0.00 0.60 1.33 1.33 0.60 0.00 1.33 0.00 1.33 0.00 0.00 0.00 0.00 0.00 1.33 0.00 1.33 0.60 1.33 1.33 0.60 33 31 35 37 35 37 35 37 33 31 33 31 25 4 31 37 33 29 38 35 35 37 34 13 22 30 34 28 30 10 30 34 33 31 31 9 33 27 35 23 14 37 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta Ta Ta Ta Ta Ta Ta Ta O O Ta Ta O Ta O Ta Ta Ta Ta Ta O Ta O Ta O O Ta 3.393 0.00 282 A 4.83 4.79 4.37 4.29 3.69 3.69 3.50 3.50 3.44 3.29 2.69 2.68 2.67 2.66 2.34 -2.28 2.25 2.24 -2.20 2.19 -1.91 1.89 -1.86 -1.77 1.71 1.68 -1.67 1.64 -1.64 1.62 1.61 1.54 1.51 1.42 1.41 1.41 -1.35 -1.34 1.32 1.23 -1.21 1.21 1.20 1.19 1.19 1.18 1.13 1.13 1.12 1.12 1.07 1.07 1.06 1.04 1.02 1.00 2 2 2 2 1 2 2 2 2 1 2 2 2 2 2 3 2 1 3 1 2 2 2 2 2 1 2 1 2 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 2 1 2 1 2 2 D:yz D:yz D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 S S S S D:xy S D:xy D:xy S D:xy P:y D:x2-y2 S P:y D:x2-y2 D:x2-y2 P:z P:x P:z D:x2-y2 P:x D:xy D:z2 S S D:xy S P:y D:z2 P:x P:y D:yz D:xz S S P:x D:yz D:yz D:xz D:x2-y2 D:yz D:yz P:z P:x D:x2-y2 D:xz 3.659 3.659 3.659 3.659 -3.278 3.659 3.659 3.659 3.659 -3.278 -5.945 -5.945 -5.945 -5.945 3.659 1.493 3.659 -3.278 1.493 -3.278 0.004 3.659 -5.945 0.004 3.659 -3.278 0.004 -9.877 0.004 -3.278 -9.877 3.659 3.659 -5.945 -5.945 3.659 -5.945 0.004 3.659 0.004 0.004 3.659 3.659 -5.945 -5.945 0.004 3.659 3.659 3.659 -3.278 3.659 -3.278 0.004 -9.877 3.659 3.659 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.60 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.60 0.00 0.60 0.00 0.00 2.00 0.00 0.00 0.60 0.00 1.33 0.00 0.60 1.33 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.60 0.00 0.60 0.00 1.33 0.00 0.00 36 32 30 34 35 34 38 30 29 37 33 37 35 31 37 34 35 31 30 33 37 33 34 35 31 38 32 13 36 29 22 38 29 32 38 29 30 38 38 34 29 30 31 29 36 30 34 38 36 36 29 32 34 27 37 32 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta O Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta 3.413 0.00 283 A 5.64 5.57 3.45 3.39 -3.07 2.95 2.90 2.76 2.72 2.44 -2.29 2.23 1.91 1.81 1.78 1.71 1.67 1.66 1.61 1.59 1.53 1.53 1.51 1.50 1.48 1.47 1.42 1.41 1.37 1.35 1.30 1.27 1.19 1.19 1.18 1.17 1.12 1.11 1.09 1.08 1.03 1.02 1 1 3 3 2 1 1 1 1 1 2 1 2 2 1 2 1 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 2 D:z2 D:z2 S S S D:z2 D:z2 D:z2 D:z2 D:yz S D:yz P:z P:y D:z2 P:z D:z2 P:z D:x2-y2 P:y P:z D:yz P:z S S P:z P:y D:x2-y2 D:yz P:y P:z D:xy S P:z D:x2-y2 S D:xy D:xz D:xz D:yz D:yz D:xz -3.278 -3.278 1.493 1.493 -5.945 -3.278 -3.278 -3.278 -3.278 -3.278 -5.945 -3.278 0.004 0.004 -3.278 0.004 -3.278 -9.877 -3.278 0.004 -9.877 -3.278 -9.877 -5.945 -5.945 -9.877 -9.877 -3.278 -3.278 -9.877 -9.877 -3.278 -5.945 -9.877 -3.278 -5.945 -3.278 3.659 3.659 -3.278 -3.278 3.659 0.60 0.60 0.00 0.00 2.00 0.60 0.60 0.60 0.60 0.60 2.00 0.60 0.00 0.00 0.60 0.00 0.60 1.33 0.60 0.00 1.33 0.60 1.33 2.00 2.00 1.33 1.33 0.60 0.60 1.33 1.33 0.60 2.00 1.33 0.60 2.00 0.60 0.00 0.00 0.60 0.60 0.00 29 38 30 34 30 31 36 32 33 36 34 32 38 32 35 29 37 26 32 36 6 38 5 36 29 18 12 36 29 19 10 32 32 28 37 38 36 37 33 33 31 35 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta O Ta O Ta Ta O O Ta Ta O O Ta Ta O Ta Ta Ta Ta Ta Ta Ta Ta 3.513 0.00 284 A 6.37 6.35 6.24 6.20 4.04 4.02 3.93 3.93 3.85 3.82 3.17 3.16 3.14 3.14 3.11 3.11 3.09 3.05 2.96 2.96 2.03 2.01 2.01 1.96 1.79 1.77 1.66 1.66 1.45 -1.42 -1.42 1.41 1.29 1.29 1.29 1.28 1.24 1.23 -1.09 1.07 1.06 -1.04 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 2 2 2 1 1 1 1 2 2 2 2 1 2 2 1 2 1 2 1 2 2 2 1 1 2 D:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:yz D:yz D:z2 D:z2 D:xy D:xy D:xz D:xz D:x2-y2 D:x2-y2 D:z2 D:xy D:xy D:z2 D:xy D:xz D:xy D:xz D:yz D:yz P:z D:x2-y2 D:x2-y2 P:z 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 3.659 -3.278 -3.278 3.659 3.659 3.659 -3.278 -3.278 -3.278 -3.278 3.659 3.659 3.659 3.659 -3.278 3.659 3.659 -3.278 3.659 -3.278 3.659 -3.278 3.659 3.659 10.312 -3.278 -3.278 10.312 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.60 0.00 0.00 0.00 0.60 0.60 0.60 0.60 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.60 0.00 0.60 0.00 0.60 0.00 0.00 0.00 0.60 0.60 0.00 29 38 32 36 31 33 29 38 37 35 33 31 32 36 37 37 35 35 37 35 38 29 36 32 29 38 36 32 31 34 30 33 33 31 31 33 33 31 11 29 38 17 Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta O Ta Ta O Sep15-2023 19:21:43 Nodes: 1 Procs: 1 Sep15-2023 19:21:44 Nodes: 1 Procs: 1 0 Sep15-2023 19:21:44 Nodes: 1 Procs: 1 Sep15-2023 19:21:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Sep15-2023 19:21:50 Nodes: 1 Procs: 1 Sep15-2023 19:21:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Sep15-2023 19:21:51 Nodes: 1 Procs: 28 *** (NO TITLE) *** -4