Gaussian 09 31-Jan-2022 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 UB3LYP Gen SP #p B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=dichloromethane) int=grid=ultrafine 1147.7749 0 3 AuxInfo=1/0/N:8,11,14,7,10,13,9,12,15,16,41,38,44,40,37,43,42,39,45,2,4,6,1,3,5;33,25,27,23,24,29,22,18,20,21,19;32/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)(14,15,16)(17,18,19)(20,21,22)(23,24,25);(2,3)(4,5)(9,10);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,20-1,21-1,22-1;2.3,3.3,4.3,5.3,6.3,7.3,8.1,9.1,10.1;/rA:45NNNNNNC3C3C3C3C3C3C3C3C3B4HN2SO1O1C3C3C3C3HC3HC3HHCuCHHHBrBrBrBrBrBrBrBrBr/rB:s1;;s3;;s5;s2;s7;s1s8;s4;s10;s3s11;s6;s13;s5s14;s1s3s5;s16;;s18;s19;s19;s19;s22;s22;s23;s23;s24;s24;s25s27;s25;s27;s2s4s6s18;s29;s33;s33;s33;s10;s11;s12;s7;s8;s9;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19346.inp" -scrdir="/scratch/" nprocshared=12 mem=20GB #p B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=( 1/38=1/1 2/12=2,15=1,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=32201,72=9,74=-5,75=-5,124=31/1,2,3 4//1 5/5=2,8=3,13=1,38=5,53=9/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Cat_N_t_v3_SP 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 41 42 43 44 45 14 14 14 14 14 14 12 12 12 12 12 12 12 12 12 11 1 14 32 16 16 12 12 12 12 1 12 1 12 1 1 63 12 1 1 1 79 79 79 79 79 79 79 79 79 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 11.0093053 1.0078250 14.0030740 31.9720718 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 62.9295992 12.0000000 1.0078250 1.0078250 1.0078250 78.9183361 78.9183361 78.9183361 78.9183361 78.9183361 78.9183361 78.9183361 78.9183361 78.9183361 2 2 2 2 2 2 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 0 0 0 1 0 1 0 1 1 3 0 1 1 1 3 3 3 3 3 3 3 3 3 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 125751 NPrTT= 503851 LenC2= 93339 LenP2D= 219929. LDataN: DoStor=T MaxTD1= 8 Len= 415 NBasis= 1407 RedAO= T EigKep= 7.06D-06 NBF= 1407 NBsUse= 1407 1.00D-06 EigRej= -1.00D+00 NBFU= 1407 (5D, 7F) 7 8 9 10 11 12 13 14 15 22 23 24 25 27 29 33 1 2 3 4 5 6 18 17 26 28 30 31 34 35 36 16 20 21 19 37 38 39 40 41 42 43 44 45 def2TZVP 32 def2QZVP 1 7 No pseudopotential on this center. 2 7 No pseudopotential on this center. 3 7 No pseudopotential on this center. 4 7 No pseudopotential on this center. 5 7 No pseudopotential on this center. 6 7 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 6 No pseudopotential on this center. 10 6 No pseudopotential on this center. 11 6 No pseudopotential on this center. 12 6 No pseudopotential on this center. 13 6 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 6 No pseudopotential on this center. 16 5 No pseudopotential on this center. 17 1 No pseudopotential on this center. 18 7 No pseudopotential on this center. 19 16 No pseudopotential on this center. 20 8 No pseudopotential on this center. 21 8 No pseudopotential on this center. 22 6 No pseudopotential on this center. 23 6 No pseudopotential on this center. 24 6 No pseudopotential on this center. 25 6 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 6 No pseudopotential on this center. 28 1 No pseudopotential on this center. 29 6 No pseudopotential on this center. 30 1 No pseudopotential on this center. 31 1 No pseudopotential on this center. 32 29 No pseudopotential on this center. 33 6 No pseudopotential on this center. 34 1 No pseudopotential on this center. 35 1 No pseudopotential on this center. 36 1 No pseudopotential on this center. 37 35 No pseudopotential on this center. 38 35 No pseudopotential on this center. 39 35 No pseudopotential on this center. 40 35 No pseudopotential on this center. 41 35 No pseudopotential on this center. 42 35 No pseudopotential on this center. 43 35 No pseudopotential on this center. 44 35 No pseudopotential on this center. 45 35 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 45 45 45 1.00e+00 60 F Grimme-D3 -0.0967763538 PCM (using non-symmetric T matrix) SMD-Coulomb. Total charges None On-the-fly selection Dichloromethane 8.930000 2.028346 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1147.7749 AuxInfo=1/0/N:8,11,14,7,10,13,9,12,15,16,41,38,44,40,37,43,42,39,45,2,4,6,1,3,5;33,25,27,23,24,29,22,18,20,21,19;32/E:(1,2,3)(4,5,6)(7,8,9)(11,12,13)(14,15,16)(17,18,19)(20,21,22)(23,24,25);(2,3)(4,5)(9,10);/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4,20-1,21-1,22-1;2.3,3.3,4.3,5.3,6.3,7.3,8.1,9.1,10.1;/rA:45NNNNNNC3C3C3C3C3C3C3C3C3B4HN2SO1O1C3C3C3C3HC3HC3HHCuCHHHBrBrBrBrBrBrBrBrBr/rB:s1;;s3;;s5;s2;s7;s1s8;s4;s10;s3s11;s6;s13;s5s14;s1s3s5;s16;;s18;s19;s19;s19;s22;s22;s23;s23;s24;s24;s25s27;s25;s27;s2s4s6s18;s29;s33;s33;s33;s10;s11;s12;s7;s8;s9;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.362704 0.000000 2.529856 3.044484 0.000000 3.065989 2.955459 1.363592 0.000000 2.525812 3.045947 2.528443 3.035612 0.000000 3.045741 2.937003 3.057078 2.934903 1.364202 0.000000 2.169567 1.330057 4.235972 4.165413 4.224923 4.125865 0.000000 2.232808 2.251879 4.601088 4.910824 4.580709 4.861116 1.407714 0.000000 1.354298 2.216732 3.669432 4.313298 3.650773 4.272807 2.208031 1.394159 0.000000 4.244631 4.146669 2.170301 1.330092 4.226770 4.142922 5.245990 5.967301 5.388593 0.000000 4.590198 4.870077 2.233076 2.251973 4.596818 4.894718 5.938489 6.377527 5.582134 1.407823 0.000000 3.650289 4.269757 1.354742 2.217371 3.671307 4.305802 5.353150 5.568831 4.569630 2.208332 1.393913 0.000000 4.234960 4.143911 4.235758 4.123014 2.170882 1.330188 5.219147 5.924870 5.354353 5.217529 5.947765 5.381334 0.000000 4.595271 4.885464 4.585967 4.852069 2.232722 2.251731 5.937112 6.360276 5.566679 5.917107 6.365698 5.582145 1.407922 0.000000 3.662554 4.289858 3.652467 4.261379 1.354823 2.217850 5.363001 5.567718 4.567540 5.344361 5.568265 4.577768 2.208872 1.393600 0.000000 1.553372 2.526343 1.553690 2.530129 1.553378 2.532143 3.642132 3.762546 2.644174 3.644551 3.762449 2.642953 3.645668 3.761264 2.641302 0.000000 2.250616 3.493819 2.250689 3.496281 2.251352 3.498550 4.415445 4.177649 2.842456 4.415779 4.175154 2.839549 4.416923 4.173838 2.837995 1.181569 0.000000 4.669160 3.528160 4.652263 3.505623 4.677248 3.545038 4.200672 5.556968 5.742237 4.170299 5.527593 5.719647 4.231888 5.584316 5.758396 4.964004 6.145525 0.000000 6.319458 5.132044 6.174569 4.924251 6.248722 5.034479 5.636123 7.032482 7.347131 5.301145 6.707583 7.123991 5.482602 6.881187 7.240523 6.606049 7.786139 1.665227 0.000000 6.870223 5.761996 6.302934 4.955579 6.894815 5.804377 6.319269 7.675751 7.924958 4.954887 6.333429 7.019024 6.383208 7.732170 7.960610 7.047638 8.197508 2.523073 1.471155 0.000000 6.806376 5.500968 7.137831 5.974819 7.035729 5.827150 5.680224 7.079472 7.646067 6.476999 7.865478 8.175496 6.243522 7.638771 8.020993 7.368096 8.541430 2.533180 1.470192 2.545464 0.000000 7.038140 6.005570 6.704654 5.534189 6.319885 4.993869 6.696728 8.043362 8.177740 5.949482 7.305471 7.667419 5.015913 6.380096 7.043184 7.043742 8.187876 2.642281 1.770660 2.662066 2.660469 0.000000 7.554569 6.514397 7.558217 6.507762 6.744576 5.380415 7.087882 8.402571 8.611300 7.098441 8.429071 8.633463 5.144840 6.459717 7.306665 7.645202 8.763184 3.478175 2.742706 3.894555 2.994460 1.398944 0.000000 7.402357 6.541572 6.595027 5.429923 6.360873 5.117683 7.426067 8.714977 8.649879 5.635266 6.907241 7.391024 5.064190 6.319244 6.993292 7.121366 8.208934 3.345122 2.738282 3.035364 3.923672 1.401846 2.445377 0.000000 8.368713 7.462893 8.240641 7.278141 7.181962 5.848426 8.134113 9.383772 9.466959 7.858670 9.115918 9.283461 5.310334 6.473095 7.513316 8.275082 9.327485 4.630502 4.031516 5.034535 4.382079 2.400627 1.392465 2.801829 0.000000 7.551307 6.424577 7.890323 6.874423 7.014045 5.668001 6.803836 8.116953 8.485067 7.562528 8.909110 9.039475 5.504658 6.822023 7.620964 7.850627 8.974289 3.601067 2.881436 4.199150 2.588658 2.160425 1.084555 3.424943 2.161175 0.000000 8.229781 7.483219 7.373290 6.339730 6.823983 5.607625 8.424359 9.658533 9.498503 6.578097 7.742442 8.149891 5.231222 6.332745 7.209896 7.795631 8.811174 4.529618 4.026406 4.408206 5.054578 2.401370 2.803675 1.388938 2.421458 3.888166 0.000000 7.282338 6.474781 6.182546 4.956619 6.352378 5.223296 7.414538 8.680407 8.555878 4.932058 6.180806 6.826546 5.373450 6.588251 7.085645 6.929034 7.998305 3.372154 2.873584 2.668042 4.247508 2.163514 3.424839 1.084657 3.886436 4.315699 2.156621 0.000000 8.692366 7.916860 8.168559 7.217859 7.226511 5.962281 8.761070 9.981625 9.892939 7.644387 8.820286 9.074617 5.356212 6.410866 7.469893 8.354738 9.358627 5.082253 4.558434 5.263283 5.261436 2.789302 2.437107 2.434264 1.406335 3.423691 1.406780 3.420414 0.000000 8.958312 8.061954 9.036698 8.145756 7.757735 6.449008 8.645368 9.852458 9.984223 8.812434 10.054675 10.134363 5.784695 6.851647 7.979154 8.925450 9.945683 5.447444 4.887720 5.986367 4.992523 3.386252 2.145668 3.888037 1.086219 2.484305 3.406431 4.972646 2.159224 0.000000 8.722107 8.091675 7.584183 6.602041 7.154666 6.051584 9.122850 10.309971 10.033011 6.689851 7.738366 8.216148 5.649189 6.607949 7.458711 8.116950 9.064860 5.292805 4.880615 5.033612 6.017940 3.387482 3.889800 2.143051 3.405987 4.974293 1.086131 2.479464 2.159071 4.304224 0.000000 2.998395 2.117600 3.001284 2.127534 3.007150 2.138939 3.202867 4.356280 4.210335 3.216470 4.366467 4.215753 3.231842 4.379609 4.224873 3.155560 4.337123 1.808743 3.459713 4.065059 4.255750 4.099470 4.817649 4.464868 5.726269 4.988148 5.432765 4.372336 6.009556 6.484428 6.015328 0.000000 9.808363 9.144244 9.221626 8.379557 8.089989 6.917228 10.028375 11.185246 11.010289 8.796449 9.874198 10.080595 6.096918 6.922301 8.109208 9.343146 10.261149 6.519379 6.063512 6.727857 6.728499 4.294453 3.816514 3.809624 2.532253 4.692103 2.527010 4.682592 1.505188 2.734549 2.724931 7.285087 0.000000 10.753883 10.037214 10.093978 9.181874 9.100645 7.911089 10.898401 12.099401 11.966337 9.498219 10.596206 10.905339 7.149556 7.999398 9.163728 10.305233 11.244988 7.205075 6.535696 7.067696 7.157809 4.783483 4.342447 4.253149 3.106287 5.195894 2.986818 5.063723 2.149520 3.251244 3.047063 8.121618 1.097422 0.000000 9.992590 9.341302 9.640223 8.875539 8.255963 7.096661 10.158602 11.271832 11.129204 9.423251 10.497773 10.582305 6.155032 6.899217 8.171705 9.590922 10.480629 6.919922 6.545756 7.385433 7.041040 4.809278 4.048073 4.576942 2.668563 4.745560 3.415408 5.529612 2.161568 2.443568 3.746547 7.625451 1.093409 1.768084 0.000000 9.751050 9.218389 8.962108 8.207241 7.841547 6.777139 10.205307 11.299975 10.990607 8.572171 9.540170 9.731498 5.905050 6.579594 7.755643 9.120301 9.964611 6.802383 6.531372 7.097571 7.362176 4.801638 4.542268 4.071671 3.369921 5.481287 2.714442 4.785139 2.157978 3.679470 2.536740 7.348292 1.094341 1.763531 1.777638 0.000000 5.701501 5.218426 3.976513 2.805916 5.670367 5.195573 6.169749 7.142101 6.841660 1.883540 2.973927 4.063444 6.112818 7.062782 6.777713 5.330323 6.221735 3.912339 4.467816 3.671636 5.737572 5.197682 6.524203 4.787122 7.348206 7.052461 5.874423 3.881467 7.086910 8.384260 5.969848 3.817211 8.319223 8.842282 9.079299 8.202266 0.000000 6.380481 6.682446 4.070660 4.081612 6.395016 6.716521 7.665802 8.037597 7.250435 2.965080 1.882419 2.951586 7.687650 8.037382 7.245986 5.549334 5.769203 7.094063 8.054097 7.404315 9.267933 8.648450 9.874953 8.080616 10.523610 10.428248 8.876789 7.204628 10.083611 11.516825 8.706009 6.147638 11.076172 11.696137 11.804308 10.670206 3.745065 0.000000 4.485417 5.483028 2.863359 4.031455 4.539725 5.546957 6.416354 6.235917 5.022509 4.059363 2.948392 1.881658 6.491067 6.310451 5.086540 3.428164 2.897902 7.489086 8.955416 8.897206 9.956197 9.448001 10.337746 9.151992 10.911374 10.725781 9.804011 8.619307 10.672744 11.706732 9.806917 5.862946 11.567019 12.435458 12.010777 11.127843 5.864553 3.702092 0.000000 3.978343 2.810120 5.688776 5.230499 5.678554 5.190875 1.884494 2.971637 4.063103 6.159520 7.101322 6.799039 6.131378 7.100974 6.809486 5.330653 6.223425 3.956208 4.957614 5.719541 4.562005 6.243026 6.524222 7.235100 7.731562 6.021955 8.331330 7.316988 8.570036 8.182706 9.167565 3.806430 9.930441 10.692133 10.043573 10.298221 6.567603 8.743389 8.077185 0.000000 4.070484 4.081455 6.398988 6.733096 6.372227 6.672996 2.964897 1.882377 2.952141 7.708776 8.049753 7.245645 7.650675 8.019480 7.236757 5.550282 5.773410 7.126995 8.458559 9.116542 8.258547 9.576269 9.832134 10.374258 10.860750 9.397212 11.345835 10.376362 11.586811 11.238400 12.056856 6.135889 12.800998 13.702218 12.818462 12.986919 8.803633 9.589538 7.694343 3.738900 0.000000 2.861847 4.030013 4.524995 5.540616 4.501338 5.500231 4.059261 2.949421 1.881451 6.478975 6.287510 5.058159 6.437048 6.257571 5.042577 3.429671 2.901199 7.508235 9.143008 9.668102 9.507767 9.875361 10.301986 10.229852 11.052002 10.225872 10.982282 10.099278 11.384077 11.544235 11.420481 5.859713 12.392500 13.389331 12.483859 12.262213 8.146427 7.745828 4.785321 5.863878 3.705108 0.000000 5.690638 5.213057 5.687210 5.186645 3.978512 2.807895 6.135372 7.091039 6.803405 6.126424 7.107937 6.824504 1.884397 2.974117 4.064435 5.333931 6.224860 3.998486 4.737975 5.806545 5.406569 3.790015 3.586952 3.930511 3.511128 4.037564 3.857275 4.569302 3.653500 3.920986 4.456520 3.837699 4.398825 5.451832 4.384729 4.407367 6.497441 8.763461 8.149350 6.527346 8.730927 8.100487 0.000000 6.392829 6.707196 6.376510 6.662903 4.070700 4.081544 7.676203 8.030693 7.243283 7.641049 8.023995 7.251121 2.964944 1.882768 2.951606 5.548093 5.767426 7.161569 8.271535 9.186246 8.982358 7.461412 7.304644 7.310638 6.975952 7.705323 6.981468 7.717809 6.803447 7.147566 7.150413 6.162478 6.917119 7.992477 6.703905 6.462697 8.697447 9.574462 7.774373 8.756331 9.568481 7.719522 3.743331 0.000000 4.517904 5.520871 4.499848 5.488321 2.864208 4.032675 6.457456 6.275243 5.056119 6.425752 6.256284 5.049262 4.060310 2.948475 1.882182 3.425957 2.894598 7.521017 9.052154 9.693603 9.829740 8.908194 9.184816 8.793488 9.345527 9.489584 8.963004 8.813695 9.239447 9.773862 9.108300 5.870367 9.760448 10.816583 9.793052 9.304619 8.075800 7.719402 4.837424 8.119012 7.734815 4.806780 5.865524 3.701946 0.000000 0.0361753 0.0289020 0.0286878 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1496 1496 1496 1496 1496 MxSgAt= 45 MxSgA2= 45. 1 open 1 1 1 -26371.3860949445 -26373.8954219047 -2.509326960251 -26372.4972665902 1.398155314499 -26352.9765192319 19.520747358300 -26378.0383323378 -25.061813105873 -26377.5699030128 0.468429324967 -26379.4420604706 -1.872157457801 -26379.9110495251 -0.468989054498 -26380.0569516750 -0.145902149889 -26380.0723847609 -0.015433085886 -26380.0875039430 -0.015119182099 -26380.0890749828 -0.001571039815 -26380.0895469250 -0.000471942178 -26380.0896783128 -0.000131387787 -26380.0897191207 -0.000040807921 -26380.0897276979 -0.000008577263 -26380.0897348546 -0.000007156661 -26380.0897401748 -0.000005320166 -26380.0897443608 -0.000004186033 -26380.0897457945 -0.000001433742 -26380.0897469381 -0.000001143591 -26380.0897480491 -0.000001110915 -26380.0897481622 -0.000000113178 -26380.0897481866 -0.000000024324 -26380.0897481911 -0.000000004562 -26380.0897481938 -0.000000002685 -26380.0897481937 0.000000000058 -26380.0897481943 -0.000000000524 -26380.0897481945 -0.000000000233 -26380.0897482 29 2.0176 2.633553606642e+04 -9.018116611215e+04 2.385661872365e+04 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 7957157 IEndB= 7957157 NGot= 2684354560 MDV= 2679043878 LenX= 2679043878 LenY= 2676401628 Requested convergence on RMS density matrix=1.00D-08 within 64 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 2.0176 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 41 42 43 44 45 N N N N N N C C C C C C C C C B H N S O O C C C C H C H C H H Cu C H H H Br Br Br Br Br Br Br Br Br 14 14 14 14 14 14 13 13 13 13 13 13 13 13 13 11 1 14 33 17 17 13 13 13 13 1 13 1 13 1 1 63 13 1 1 1 79 79 79 79 79 79 79 79 79 0.00094 0.04839 0.00193 0.05317 0.00220 0.05987 0.00087 0.00230 0.00107 -0.00028 0.00203 0.00158 0.00112 0.00222 0.00147 -0.00010 -0.00005 0.13526 -0.04251 0.00376 0.00378 0.00351 0.00144 0.00119 -0.00185 -0.00031 -0.00231 -0.00038 0.00304 0.00016 0.00018 -0.22601 -0.00135 0.00190 0.00026 0.00064 -0.00361 -0.00036 -0.00017 -0.00353 -0.00042 -0.00020 -0.00375 -0.00030 -0.00021 0.15140 7.81744 0.31125 8.58911 0.35541 9.67241 0.48843 1.29170 0.59891 -0.15472 1.13948 0.88990 0.62707 1.25054 0.82639 -0.07436 -0.10294 21.85078 -7.29986 -1.13999 -1.14572 1.97518 0.80949 0.66811 -1.03913 -0.69307 -1.29903 -0.85137 1.70857 0.35908 0.40377 -134.03440 -0.75626 4.25491 0.57829 1.44027 -2.02812 -0.19991 -0.09476 -1.98121 -0.23867 -0.11173 -2.10631 -0.16831 -0.11719 0.05402 2.78946 0.11106 3.06481 0.12682 3.45136 0.17428 0.46091 0.21371 -0.05521 0.40659 0.31754 0.22376 0.44622 0.29488 -0.02653 -0.03673 7.79690 -2.60477 -0.40678 -0.40882 0.70479 0.28885 0.23840 -0.37079 -0.24730 -0.46352 -0.30379 0.60966 0.12813 0.14407 -47.82681 -0.26985 1.51826 0.20635 0.51392 -0.72368 -0.07133 -0.03381 -0.70695 -0.08516 -0.03987 -0.75158 -0.06006 -0.04182 0.05050 2.60762 0.10382 2.86502 0.11855 3.22637 0.16292 0.43086 0.19977 -0.05161 0.38009 0.29684 0.20917 0.41713 0.27565 -0.02480 -0.03434 7.28864 -2.43497 -0.38026 -0.38217 0.65885 0.27002 0.22286 -0.34662 -0.23118 -0.43331 -0.28399 0.56992 0.11978 0.13468 -44.70906 -0.25226 1.41929 0.19290 0.48042 -0.67651 -0.06668 -0.03161 -0.66086 -0.07961 -0.03727 -0.70259 -0.05614 -0.03909 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 41 42 43 44 45 0.009567 0.046429 0.005507 -0.002445 0.000313 -0.040539 0.003123 0.003723 0.004921 -0.003589 0.000979 0.001633 -0.003051 -0.001439 0.000039 0.005131 0.002455 -1.148415 -0.002177 0.142851 0.102093 0.065614 0.016342 0.020728 -0.006405 0.003784 -0.007192 0.002021 0.032260 0.000798 0.000359 0.975473 0.002253 0.001349 0.000227 -0.000192 0.013611 -0.001412 0.004742 0.025915 0.005040 0.006418 0.007611 -0.006182 -0.001330 -0.005053 -0.031384 -0.002812 -0.021011 0.005008 0.056668 0.001767 -0.002255 -0.001604 -0.008839 -0.001371 -0.003480 0.007854 0.002864 0.003548 -0.001146 -0.000563 0.292914 0.009195 0.018765 -0.013821 -0.037610 -0.006328 -0.004542 0.004561 -0.004521 0.005136 -0.002931 -0.011608 -0.000626 0.000400 -0.119286 -0.000129 -0.000150 0.000136 0.001312 -0.011343 -0.003171 -0.004584 -0.014068 -0.003747 -0.003266 0.001249 0.009140 0.005980 -0.004514 -0.015045 -0.002695 0.023456 -0.005320 -0.016129 -0.004890 -0.001468 -0.003317 0.012428 0.000392 0.001846 -0.004803 -0.001425 -0.003587 -0.003985 -0.001893 0.855500 -0.007018 -0.161616 -0.088273 -0.028004 -0.010014 -0.016186 0.001844 0.000737 0.002056 0.000910 -0.020651 -0.000172 -0.000759 -0.856186 -0.002124 -0.001199 -0.000364 -0.001120 -0.002268 0.004583 -0.000158 -0.011847 -0.001293 -0.003152 -0.008859 -0.002958 -0.004650 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 41 42 43 44 45 -0.001108 0.030582 -0.006430 -0.018796 -0.008266 -0.024315 0.005681 0.000731 0.000121 -0.004436 -0.001572 -0.003772 0.001689 -0.002354 -0.002849 -0.005047 -0.002418 0.791335 0.001408 -0.237957 -0.203175 0.021782 -0.016037 -0.015364 0.006529 0.000364 0.010212 0.004853 -0.026880 0.001396 0.002556 -0.673690 0.000646 0.001459 0.001301 0.001390 -0.016482 -0.000808 -0.004780 -0.003716 0.005059 0.000491 -0.010163 -0.003162 -0.006141 -0.004112 -0.038492 0.005655 0.052198 -0.002052 -0.014730 -0.007399 -0.002205 -0.003339 0.003976 0.002858 0.003167 0.003120 -0.000769 -0.000020 -0.000466 -0.000201 0.379540 -0.000763 -0.127685 -0.082126 -0.002765 -0.008784 -0.017011 0.005227 0.005614 0.005395 -0.004917 -0.021910 0.001957 -0.000378 -0.313776 -0.000635 -0.000086 0.000926 0.000147 0.019515 0.006557 0.006436 -0.014020 -0.005029 -0.004092 -0.004768 -0.001944 -0.001559 0.000030 -0.009372 -0.003026 -0.030976 0.003350 0.041254 -0.008283 -0.000232 -0.001851 -0.002009 -0.001625 -0.001473 0.010932 0.001973 0.004177 0.000249 0.000118 -0.184388 0.004604 0.048799 0.099334 -0.008110 0.011745 0.006130 0.000923 -0.001369 -0.002094 -0.004276 0.012235 0.000231 -0.000662 0.219830 0.000943 0.000186 0.000896 -0.000122 -0.009969 -0.002699 -0.002832 0.000140 -0.001554 -0.000903 0.006439 0.004671 0.004668 0.2651 0.3905 0.8816 -0.0414 0.9181 -0.3942 0.9633 -0.068 -0.2596 -0.0057 -0.005 0.0108 -0.221 -0.193 0.415 -0.079 -0.069 0.148 -0.074 -0.065 0.138 1 N 14 -0.4172 0.8632 -0.2843 0.267 0.4154 0.8696 0.8687 0.2869 -0.4038 -0.0431 -0.0313 0.0744 -1.661 -1.209 2.87 -0.593 -0.431 1.024 -0.554 -0.403 0.957 2 N 14 0.4951 0.8675 -0.0484 -0.3292 0.2389 0.9136 0.8041 -0.4364 0.4038 -0.0063 -0.0055 0.0118 -0.243 -0.213 0.457 -0.087 -0.076 0.163 -0.081 -0.071 0.152 3 N 14 0.6687 -0.3355 -0.6635 0.4787 0.8771 0.0389 0.5689 -0.3436 0.7471 -0.0448 -0.0326 0.0775 -1.728 -1.259 2.987 -0.617 -0.449 1.066 -0.576 -0.42 0.996 4 N 14 -0.355 -0.4887 0.797 0.7296 0.3882 0.563 -0.5845 0.7813 0.2187 -0.0065 -0.0057 0.0121 -0.249 -0.219 0.468 -0.089 -0.078 0.167 -0.083 -0.073 0.156 5 N 14 0.9448 0.0961 0.3133 -0.2383 -0.4548 0.8581 -0.225 0.8854 0.4068 -0.0479 -0.0339 0.0818 -1.847 -1.308 3.155 -0.659 -0.467 1.126 -0.616 -0.436 1.052 6 N 14 0.2737 0.4264 0.8622 0.7312 -0.6746 0.1015 0.6248 0.6026 -0.4964 -0.0113 -0.0031 0.0145 -1.521 -0.422 1.943 -0.543 -0.151 0.693 -0.507 -0.141 0.648 7 C 13 -0.2336 0.9101 -0.3422 0.2736 0.3992 0.8751 0.933 0.1108 -0.3423 -0.0024 -0.0023 0.0046 -0.316 -0.304 0.62 -0.113 -0.108 0.221 -0.105 -0.101 0.207 8 C 13 0.2768 0.4233 0.8626 -0.2306 0.9008 -0.368 0.9328 0.0971 -0.347 -0.0053 -9.0E-4 0.0062 -0.711 -0.118 0.829 -0.254 -0.042 0.296 -0.237 -0.039 0.276 9 C 13 0.4991 0.8665 -0.0102 0.8285 -0.4807 -0.2874 0.2539 -0.135 0.9578 -0.0114 -0.0024 0.0138 -1.526 -0.321 1.847 -0.544 -0.115 0.659 -0.509 -0.107 0.616 10 C 13 -0.2178 0.7249 0.6535 0.6939 0.5859 -0.4185 0.6863 -0.3624 0.6306 -0.0024 -0.0021 0.0044 -0.317 -0.278 0.595 -0.113 -0.099 0.212 -0.106 -0.093 0.199 11 C 13 0.4785 0.8776 -0.0304 -0.5272 0.3148 0.7893 0.7022 -0.3617 0.6132 -0.0055 -9.0E-4 0.0063 -0.736 -0.115 0.851 -0.263 -0.041 0.304 -0.246 -0.038 0.284 12 C 13 -0.2229 -0.464 0.8573 0.96 -0.2572 0.1104 0.1693 0.8476 0.5028 -0.0115 -0.0031 0.0147 -1.547 -0.422 1.969 -0.552 -0.151 0.703 -0.516 -0.141 0.657 13 C 13 0.8539 0.4626 -0.2385 0.3589 -0.1913 0.9136 -0.377 0.8657 0.3294 -0.0025 -0.0021 0.0046 -0.335 -0.287 0.623 -0.12 -0.102 0.222 -0.112 -0.096 0.208 14 C 13 -0.2193 -0.4538 0.8637 0.9 0.2477 0.3587 -0.3767 0.856 0.3541 -0.0058 -8.0E-4 0.0065 -0.775 -0.101 0.876 -0.277 -0.036 0.313 -0.259 -0.034 0.292 15 C 13 0.108 0.1043 0.9887 0.4751 0.8681 -0.1435 0.8733 -0.4852 -0.0442 -0.004 -0.0039 0.008 -0.686 -0.676 1.363 -0.245 -0.241 0.486 -0.229 -0.226 0.455 16 B 11 0.3481 0.6817 -0.6435 0.3398 0.548 0.7644 0.8737 -0.4847 -0.0409 -0.0019 -0.0019 0.0038 -1.019 -1.012 2.031 -0.363 -0.361 0.725 -0.34 -0.338 0.677 17 H 1 0.9007 -0.3993 -0.1712 0.4129 0.9093 0.0514 0.1352 -0.1169 0.9839 -1.5713 0.6418 0.9296 -60.603 24.752 35.851 -21.625 8.832 12.793 -20.215 8.256 11.959 18 N 14 0.1748 -0.2619 0.9491 0.9803 -0.0437 -0.1926 0.092 0.9641 0.2491 -0.0084 -0.0021 0.0105 -0.346 -0.086 0.431 -0.123 -0.031 0.154 -0.115 -0.029 0.144 19 S 33 0.4983 0.3317 0.801 0.382 0.7454 -0.5463 0.7783 -0.5782 -0.2447 -0.2208 -0.1389 0.3598 15.979 10.053 -26.032 5.702 3.587 -9.289 5.33 3.353 -8.683 20 O 17 0.4283 0.7825 -0.452 0.5094 0.204 0.836 0.7464 -0.5883 -0.3112 -0.1824 -0.1141 0.2965 13.199 8.254 -21.453 4.71 2.945 -7.655 4.403 2.753 -7.156 21 O 17 -0.1673 0.902 0.3979 0.1198 -0.382 0.9164 0.9786 0.201 -0.0442 -0.0452 -0.025 0.0702 -6.069 -3.353 9.422 -2.166 -1.196 3.362 -2.024 -1.118 3.143 22 C 13 0.1543 0.7241 -0.6722 0.556 0.4988 0.6649 0.8167 -0.4763 -0.3256 -0.0206 -0.0085 0.0292 -2.771 -1.147 3.918 -0.989 -0.409 1.398 -0.924 -0.383 1.307 23 C 13 0.3609 -0.0094 0.9326 0.3678 0.9204 -0.133 0.857 -0.391 -0.3356 -0.0228 -0.0116 0.0344 -3.064 -1.552 4.616 -1.093 -0.554 1.647 -1.022 -0.518 1.54 24 C 13 0.8765 -0.3485 -0.3321 0.1024 -0.5391 0.836 0.4704 0.7667 0.4369 -0.011 0.0019 0.0091 -1.474 0.254 1.22 -0.526 0.09 0.435 -0.492 0.085 0.407 25 C 13 -0.3192 0.822 0.4716 -0.5226 -0.5678 0.636 0.7906 -0.0434 0.6108 -0.0054 -0.0027 0.0081 -2.907 -1.416 4.322 -1.037 -0.505 1.542 -0.97 -0.472 1.442 26 H 1 0.8299 -0.4566 -0.3205 0.2236 -0.2541 0.941 0.5111 0.8526 0.1088 -0.0149 0.0039 0.011 -1.999 0.524 1.475 -0.713 0.187 0.526 -0.667 0.175 0.492 27 C 13 -0.349 0.8903 0.2925 0.6603 0.0121 0.7509 0.665 0.4552 -0.592 -0.0062 -0.0035 0.0097 -3.328 -1.858 5.186 -1.188 -0.663 1.85 -1.11 -0.62 1.73 28 H 1 0.1515 -0.3913 0.9077 0.4996 0.8227 0.2712 0.8529 -0.4124 -0.3201 -0.0296 -0.0239 0.0535 -3.97 -3.207 7.177 -1.417 -1.144 2.561 -1.324 -1.07 2.394 29 C 13 0.6355 -0.5079 -0.5815 0.068 0.7871 -0.6131 0.7691 0.3501 0.5347 -0.0021 -7.0E-4 0.0028 -1.125 -0.366 1.491 -0.401 -0.131 0.532 -0.375 -0.122 0.497 30 H 1 -0.6875 0.7114 0.1459 0.2369 0.0297 0.9711 0.6865 0.7022 -0.1889 -0.0022 -9.0E-4 0.0031 -1.177 -0.465 1.642 -0.42 -0.166 0.586 -0.393 -0.155 0.548 31 H 1 0.0952 -0.1864 0.9779 0.4508 0.8839 0.1245 0.8875 -0.429 -0.1682 -0.9286 -0.4319 1.3606 -131.477 -61.156 192.633 -46.914 -21.822 68.736 -43.856 -20.399 64.255 32 Cu 63 0.1684 -0.3843 0.9077 -0.1554 0.899 0.4094 0.9734 0.21 -0.0917 -0.0026 2.0E-4 0.0025 -0.354 0.025 0.329 -0.126 0.009 0.117 -0.118 0.008 0.11 33 C 13 0.2894 -0.4847 0.8254 -0.4338 0.7022 0.5645 0.8532 0.5215 0.007 -0.0013 -9.0E-4 0.0022 -0.714 -0.481 1.195 -0.255 -0.172 0.427 -0.238 -0.16 0.399 34 H 1 -0.6915 0.7223 -0.0087 -0.3354 -0.3103 0.8895 0.6398 0.618 0.4568 -0.0011 -0.001 0.0021 -0.598 -0.547 1.145 -0.213 -0.195 0.408 -0.199 -0.182 0.382 35 H 1 -0.5202 0.3179 0.7927 0.6841 -0.4006 0.6095 0.5113 0.8593 -0.0091 -0.0013 -9.0E-4 0.0021 -0.675 -0.467 1.142 -0.241 -0.167 0.408 -0.225 -0.156 0.381 36 H 1 0.4248 0.9043 0.0419 -0.4766 0.1841 0.8596 0.7697 -0.3852 0.5092 -0.0195 -0.0152 0.0348 -2.622 -2.042 4.664 -0.936 -0.729 1.664 -0.875 -0.681 1.556 37 Br 79 0.7598 -0.3298 -0.5603 0.3917 0.92 -0.0105 0.519 -0.2115 0.8282 -0.0059 -0.0035 0.0094 -0.791 -0.467 1.258 -0.282 -0.167 0.449 -0.264 -0.156 0.42 38 Br 79 0.3686 0.9287 0.04 -0.5042 0.1636 0.848 0.781 -0.3327 0.5285 -0.0066 -0.0045 0.0111 -0.886 -0.608 1.493 -0.316 -0.217 0.533 -0.295 -0.203 0.498 39 Br 79 0.3178 0.3739 0.8713 -0.0473 0.9241 -0.3793 0.947 -0.0793 -0.3113 -0.0169 -0.0139 0.0308 -2.267 -1.869 4.136 -0.809 -0.667 1.476 -0.756 -0.623 1.38 40 Br 79 -0.4814 0.8472 -0.2246 0.2807 0.3917 0.8762 0.8303 0.3588 -0.4264 -0.0062 -0.0036 0.0098 -0.833 -0.483 1.316 -0.297 -0.172 0.469 -0.278 -0.161 0.439 41 Br 79 0.2983 0.3829 0.8743 -0.1939 0.9212 -0.3373 0.9346 0.0689 -0.3491 -0.0049 -0.003 0.008 -0.663 -0.408 1.071 -0.237 -0.145 0.382 -0.221 -0.136 0.357 42 Br 79 -0.0132 -0.4454 0.8952 0.6547 0.6729 0.3444 0.7558 -0.5906 -0.2828 -0.012 -0.0053 0.0173 -1.609 -0.717 2.325 -0.574 -0.256 0.83 -0.537 -0.239 0.776 43 Br 79 0.9371 0.0847 0.3386 -0.2852 -0.3737 0.8826 -0.2013 0.9237 0.326 -0.0072 -0.0043 0.0115 -0.962 -0.578 1.54 -0.343 -0.206 0.549 -0.321 -0.193 0.514 44 Br 79 PT198594.100S 2022-01-31T11:18:53.000+01:00 -482.88358 -482.88261 -482.88249 -482.88211 -323.09272 -89.06946 -62.53768 -62.53766 -62.53743 -62.53274 -62.53137 -62.53084 -62.52988 -62.52975 -62.52938 -56.35427 -56.35424 -56.35401 -56.35028 -56.35026 -56.35011 -56.35009 -56.35003 -56.34986 -56.34926 -56.34794 -56.34737 -56.34644 -56.34632 -56.34594 -56.34533 -56.34521 -56.34399 -56.34386 -56.34345 -56.34330 -56.34243 -56.34238 -56.34230 -56.34225 -56.34193 -56.34187 -38.89422 -34.10320 -34.09529 -34.09248 -19.14076 -19.14027 -14.41056 -14.41020 -14.41001 -14.39307 -14.39066 -14.38993 -14.38925 -10.29028 -10.28998 -10.28975 -10.28277 -10.28145 -10.28118 -10.25359 -10.25304 -10.25287 -10.22237 -10.20916 -10.20366 -10.20335 -10.19133 -10.19042 -10.17096 -8.72835 -8.72832 -8.72810 -8.72342 -8.72191 -8.72149 -8.72060 -8.72047 -8.72010 -8.11433 -6.79271 -6.55891 -6.55888 -6.55865 -6.55381 -6.55235 -6.55190 -6.55108 -6.55097 -6.55059 -6.54642 -6.54639 -6.54617 -6.54587 -6.54585 -6.54562 -6.54151 -6.54110 -6.53996 -6.53961 -6.53955 -6.53912 -6.53854 -6.53840 -6.53834 -6.53820 -6.53804 -6.53783 -6.07777 -6.07628 -6.07618 -4.38305 -2.88895 -2.87100 -2.86580 -2.67329 -2.67326 -2.67303 -2.66972 -2.66970 -2.66947 -2.66931 -2.66928 -2.66905 -2.66822 -2.66675 -2.66631 -2.66546 -2.66535 -2.66497 -2.66468 -2.66437 -2.66319 -2.66287 -2.66279 -2.66242 -2.66180 -2.66168 -2.66166 -2.66154 -2.66131 -2.66116 -2.65931 -2.65931 -2.65929 -2.65928 -2.65907 -2.65906 -2.65453 -2.65452 -2.65297 -2.65296 -2.65258 -2.65258 -2.65162 -2.65162 -2.65147 -2.65147 -2.65112 -2.65112 -1.12074 -1.09347 -1.08144 -1.08060 -1.01562 -0.89478 -0.89069 -0.88198 -0.88150 -0.87796 -0.87327 -0.86595 -0.86550 -0.81830 -0.81774 -0.81738 -0.79912 -0.79820 -0.78741 -0.78677 -0.77477 -0.76917 -0.76173 -0.76126 -0.71494 -0.64450 -0.64342 -0.63024 -0.62654 -0.61451 -0.61377 -0.59961 -0.59918 -0.58815 -0.57408 -0.54300 -0.54007 -0.53959 -0.50804 -0.49540 -0.49531 -0.49510 -0.48239 -0.47857 -0.47788 -0.46918 -0.45500 -0.44952 -0.44896 -0.44836 -0.44277 -0.43640 -0.43575 -0.43537 -0.43387 -0.43174 -0.42632 -0.42016 -0.41834 -0.41673 -0.39399 -0.39174 -0.38908 -0.38135 -0.38000 -0.37666 -0.37147 -0.37118 -0.36556 -0.36412 -0.36320 -0.36053 -0.35963 -0.35182 -0.34906 -0.34298 -0.33585 -0.33578 -0.32898 -0.32707 -0.32685 -0.32464 -0.32335 -0.32149 -0.31954 -0.31882 -0.31838 -0.31446 -0.31115 -0.30686 -0.30625 -0.30128 -0.29828 -0.28517 -0.27937 -0.27484 -0.27354 -0.26716 -0.26427 -0.26334 -0.26273 -0.25495 -0.05348 -0.04876 -0.04854 -0.04777 -0.04273 -0.04247 -0.03478 -0.01810 -0.01158 -0.00975 -0.00907 -0.00501 -0.00257 -0.00199 0.00597 0.00861 0.00901 0.01732 0.02755 0.02854 0.02968 0.05296 0.05529 0.06368 0.07117 0.07675 0.08213 0.08532 0.08631 0.08782 0.10016 0.10558 0.10635 0.11090 0.11192 0.11604 0.11898 0.12156 0.12369 0.12759 0.12855 0.13328 0.13549 0.13998 0.14465 0.14552 0.14776 0.14827 0.15121 0.15456 0.15708 0.16145 0.16385 0.16597 0.16735 0.17156 0.17230 0.17301 0.17907 0.18179 0.18518 0.18953 0.19424 0.19512 0.19587 0.19865 0.20041 0.20332 0.20681 0.20793 0.21145 0.21457 0.21643 0.21844 0.22126 0.22534 0.22629 0.22764 0.23009 0.23210 0.23498 0.23703 0.23747 0.24074 0.24250 0.24435 0.24625 0.24651 0.24715 0.24750 0.25138 0.25202 0.25326 0.25613 0.25994 0.26433 0.26855 0.26943 0.27008 0.27273 0.27560 0.27714 0.27775 0.28088 0.28354 0.28492 0.29211 0.29591 0.29793 0.29947 0.30076 0.30231 0.30821 0.31266 0.31687 0.31731 0.32311 0.32593 0.32929 0.33193 0.33511 0.33838 0.34218 0.34522 0.34632 0.34825 0.34979 0.35044 0.35384 0.35654 0.35863 0.36147 0.36359 0.36625 0.36691 0.37032 0.37175 0.37481 0.37577 0.38279 0.38472 0.38690 0.38965 0.39144 0.39640 0.39790 0.40453 0.40688 0.41139 0.41385 0.41605 0.41705 0.42053 0.42312 0.42432 0.42869 0.42967 0.43465 0.43622 0.44221 0.44657 0.45328 0.45436 0.45978 0.46343 0.46608 0.46887 0.47266 0.47533 0.47976 0.48321 0.48417 0.48801 0.49284 0.49793 0.49859 0.50455 0.50605 0.50769 0.51441 0.51799 0.51891 0.52028 0.52453 0.52618 0.53212 0.53382 0.54135 0.54357 0.54540 0.55094 0.55297 0.55333 0.56136 0.56637 0.56767 0.57175 0.57210 0.57423 0.57749 0.58015 0.58310 0.58735 0.59074 0.59526 0.59931 0.60002 0.60664 0.60745 0.61415 0.61621 0.61834 0.61973 0.62917 0.62959 0.63384 0.63628 0.63917 0.64302 0.64353 0.64996 0.65417 0.65798 0.66729 0.66890 0.67321 0.67552 0.67674 0.67971 0.68400 0.68990 0.69192 0.69425 0.69854 0.70189 0.70555 0.71069 0.71156 0.72207 0.72336 0.72444 0.72743 0.73429 0.73635 0.73906 0.74650 0.75202 0.75927 0.76096 0.76938 0.77086 0.77688 0.77974 0.78444 0.78753 0.79250 0.79589 0.79655 0.79776 0.80765 0.81017 0.81608 0.82311 0.82539 0.83031 0.83803 0.84021 0.84705 0.85213 0.85599 0.86212 0.86615 0.86789 0.87275 0.87569 0.87664 0.88390 0.88645 0.89144 0.89568 0.90365 0.90866 0.91404 0.92966 0.93072 0.93792 0.94150 0.94231 0.94608 0.95395 0.95834 0.96265 0.96367 0.96804 0.97101 0.97153 0.98106 0.98436 0.99115 0.99519 1.00000 1.00508 1.01115 1.01155 1.01582 1.01874 1.02619 1.02800 1.03671 1.04150 1.04718 1.05367 1.05492 1.05640 1.06153 1.06190 1.06868 1.07066 1.07208 1.08066 1.08598 1.09280 1.09673 1.09910 1.10865 1.11493 1.11856 1.12424 1.12564 1.12938 1.13930 1.14962 1.15398 1.16088 1.16145 1.16179 1.17517 1.17629 1.18475 1.18730 1.19036 1.19618 1.19684 1.20056 1.20605 1.21418 1.21721 1.22027 1.22721 1.23055 1.23591 1.23971 1.24445 1.24951 1.25500 1.26019 1.26433 1.26714 1.27263 1.27655 1.27937 1.28145 1.28716 1.29216 1.29830 1.29928 1.30028 1.30512 1.30896 1.30973 1.31279 1.31436 1.31724 1.32031 1.32558 1.32718 1.33212 1.33616 1.33821 1.34214 1.34617 1.34960 1.35350 1.35776 1.36649 1.37017 1.37879 1.38018 1.38395 1.38631 1.38752 1.38953 1.39125 1.39408 1.40203 1.40782 1.40980 1.41253 1.41391 1.41979 1.42319 1.42793 1.43451 1.43510 1.43640 1.43874 1.44137 1.44559 1.44974 1.45546 1.45986 1.46946 1.47236 1.47442 1.47795 1.48017 1.48182 1.48323 1.48704 1.49015 1.49205 1.49473 1.49553 1.49659 1.49776 1.50171 1.50484 1.50553 1.50673 1.50708 1.50842 1.50914 1.51173 1.51529 1.51590 1.51687 1.51982 1.52111 1.52247 1.52516 1.52620 1.52780 1.52907 1.53022 1.53254 1.53465 1.53787 1.54077 1.54165 1.54494 1.55029 1.55341 1.55409 1.55914 1.56042 1.56664 1.57076 1.57138 1.57632 1.58000 1.58332 1.58578 1.58740 1.59147 1.59419 1.59814 1.59984 1.60214 1.60559 1.60859 1.60943 1.61206 1.61345 1.61597 1.61878 1.62064 1.62163 1.62679 1.62954 1.63058 1.63422 1.63467 1.63916 1.64153 1.64411 1.64981 1.65202 1.65284 1.65360 1.65674 1.66190 1.66429 1.66531 1.66849 1.67394 1.68251 1.68873 1.68983 1.69166 1.69370 1.69958 1.70414 1.70690 1.71084 1.71651 1.72011 1.72624 1.73110 1.73131 1.73866 1.74300 1.74640 1.75004 1.75223 1.75419 1.75551 1.75938 1.76089 1.76523 1.76945 1.77098 1.77793 1.78735 1.78834 1.79109 1.79450 1.79823 1.79953 1.80322 1.80568 1.80983 1.81324 1.82098 1.82529 1.82784 1.83092 1.83430 1.84502 1.84612 1.84766 1.85267 1.85468 1.85672 1.86172 1.86742 1.86860 1.87097 1.87422 1.87792 1.88269 1.88535 1.88691 1.88712 1.89183 1.89631 1.90019 1.90177 1.90917 1.91347 1.91967 1.92271 1.93157 1.94522 1.95367 1.95729 1.96426 1.96752 1.97786 1.98126 1.99274 1.99790 2.00342 2.00576 2.01158 2.02237 2.03123 2.03982 2.04971 2.05801 2.06202 2.07123 2.07427 2.08063 2.08436 2.10698 2.10769 2.11327 2.11681 2.12569 2.12806 2.13182 2.13603 2.14531 2.15352 2.16501 2.17503 2.17697 2.17807 2.18324 2.18950 2.19580 2.20546 2.21047 2.21542 2.22473 2.23121 2.23497 2.24014 2.24385 2.26153 2.26452 2.26669 2.27349 2.27488 2.27692 2.28361 2.29211 2.29349 2.29825 2.32127 2.32383 2.33030 2.33225 2.34244 2.34699 2.35550 2.35850 2.36374 2.36848 2.37063 2.37472 2.37972 2.38348 2.38561 2.38978 2.39942 2.40355 2.40368 2.40928 2.42801 2.43545 2.44173 2.45105 2.45951 2.46324 2.47907 2.48853 2.49205 2.51222 2.51620 2.52368 2.53100 2.53369 2.54674 2.55521 2.56394 2.56800 2.57526 2.58430 2.59690 2.59732 2.60122 2.61129 2.61495 2.61660 2.62267 2.62719 2.63226 2.63543 2.64054 2.65833 2.65970 2.66315 2.66791 2.67143 2.67646 2.68107 2.68880 2.69125 2.69848 2.71465 2.71557 2.72008 2.72331 2.72879 2.72903 2.73108 2.74108 2.75413 2.75999 2.76113 2.77270 2.78467 2.78589 2.79008 2.79506 2.80281 2.80599 2.80807 2.81332 2.81693 2.83739 2.84033 2.84080 2.85015 2.85110 2.85822 2.87751 2.88166 2.88546 2.88888 2.90973 2.92068 2.93819 2.94844 2.95113 2.95352 2.96967 2.97763 2.98756 2.99120 2.99367 3.00900 3.01755 3.02233 3.02339 3.02508 3.03234 3.03871 3.04084 3.04587 3.05424 3.06864 3.06998 3.07495 3.08027 3.08267 3.08785 3.09031 3.09668 3.10238 3.10954 3.11143 3.11500 3.11996 3.12948 3.13249 3.13440 3.13600 3.14308 3.15774 3.15981 3.16609 3.17161 3.17696 3.17917 3.18688 3.18994 3.19485 3.19997 3.20633 3.22649 3.23115 3.23624 3.23701 3.24303 3.25132 3.26010 3.26439 3.26692 3.27818 3.28543 3.28922 3.29051 3.29464 3.29715 3.30037 3.30766 3.31321 3.31538 3.31724 3.32673 3.33718 3.34537 3.36299 3.36407 3.37255 3.37467 3.37874 3.38552 3.38753 3.38860 3.39321 3.39416 3.39640 3.39866 3.41033 3.41685 3.42155 3.42315 3.43506 3.44355 3.44778 3.44829 3.46052 3.46236 3.46307 3.47048 3.47754 3.47907 3.48768 3.49801 3.50630 3.50959 3.51131 3.52540 3.53271 3.54267 3.56012 3.56111 3.57634 3.60061 3.60089 3.60663 3.62698 3.64729 3.65025 3.66986 3.67272 3.67449 3.68297 3.68494 3.68842 3.72880 3.73505 3.73742 3.74276 3.74831 3.74874 3.74971 3.76437 3.77002 3.77534 3.77885 3.78390 3.80849 3.81260 3.83660 3.84584 3.85651 3.86028 3.86724 3.86980 3.87539 3.89427 3.90410 3.90805 3.95119 3.95217 3.95811 3.95994 3.96188 3.97997 3.98212 3.98495 3.98644 3.98851 3.99861 4.00020 4.00186 4.00942 4.01391 4.02114 4.02452 4.02705 4.03262 4.03828 4.04360 4.04750 4.05359 4.05889 4.07032 4.07787 4.08138 4.08462 4.08640 4.09014 4.09558 4.10382 4.10399 4.10904 4.11724 4.12260 4.12940 4.13542 4.13727 4.13821 4.14027 4.14908 4.15637 4.16269 4.16592 4.16751 4.17457 4.18977 4.19067 4.19637 4.20693 4.21034 4.22577 4.23037 4.23269 4.23477 4.24418 4.24623 4.24689 4.24944 4.25298 4.26019 4.27429 4.27890 4.28086 4.31122 4.31207 4.31354 4.33013 4.33830 4.34381 4.36509 4.36763 4.36879 4.37242 4.37290 4.38034 4.39598 4.39662 4.40879 4.41645 4.43670 4.44391 4.45428 4.49336 4.50108 4.51475 4.52930 4.53737 4.55434 4.55881 4.56913 4.59117 4.60106 4.61752 4.62800 4.63017 4.63956 4.64125 4.65234 4.66514 4.67180 4.68006 4.68251 4.69269 4.69963 4.71061 4.74404 4.75077 4.75278 4.76839 4.76981 4.77280 4.79968 4.80232 4.81730 4.83768 4.85687 4.85874 4.85977 4.86422 4.87303 4.87698 4.88090 4.89178 4.91035 4.91116 4.91685 4.92612 4.93532 4.94799 4.95420 4.96202 4.97713 4.98968 5.00378 5.01355 5.01840 5.02500 5.02778 5.08633 5.10593 5.11126 5.12328 5.12731 5.13150 5.13553 5.13904 5.14108 5.14378 5.14913 5.15058 5.16934 5.19109 5.19356 5.20800 5.21097 5.21466 5.21883 5.23774 5.23928 5.24936 5.28363 5.29236 5.29962 5.30212 5.30479 5.32524 5.35569 5.36625 5.38956 5.42953 5.47526 5.48139 5.49040 5.49245 5.51162 5.51316 5.51808 5.53419 5.53825 5.56118 5.56904 5.58876 5.59675 5.60952 5.61054 5.61150 5.62666 5.66338 5.67609 5.67811 5.73209 5.82124 5.82420 5.84357 5.86466 6.02386 6.09234 6.09383 6.12524 6.12887 6.22413 6.27700 6.31590 6.35215 6.43748 6.67234 6.73379 6.77706 6.79159 6.85777 6.87168 6.89228 6.91431 7.01883 7.02663 7.09350 7.11274 7.11846 7.23857 7.24674 7.54465 7.67060 7.67666 7.68746 7.76621 7.77585 7.80324 7.83912 7.84531 7.92049 9.38397 9.49184 9.61880 11.62336 12.87844 12.88025 12.88212 12.88588 12.88768 12.89051 12.89851 12.89871 12.92943 15.64927 20.69000 20.75989 20.76516 20.77205 20.84379 20.84807 21.02906 22.17391 22.19782 22.38275 22.52385 22.52752 22.56070 22.62750 22.66418 22.71905 22.79264 22.82015 22.82517 22.85422 22.94216 22.95010 22.97199 23.17928 32.30533 32.46876 32.47358 32.53109 32.72135 32.72637 32.87859 40.56045 43.56357 43.79015 137.51760 900.60450 -482.89044 -482.89042 -482.89019 -482.88544 -482.88428 -482.88357 -482.88261 -482.88248 -482.88211 -323.09254 -89.06976 -62.53768 -62.53766 -62.53743 -62.53274 -62.53137 -62.53083 -62.52988 -62.52975 -62.52938 -56.35427 -56.35424 -56.35401 -56.35028 -56.35026 -56.35011 -56.35009 -56.35003 -56.34986 -56.34926 -56.34794 -56.34737 -56.34644 -56.34632 -56.34594 -56.34534 -56.34521 -56.34399 -56.34386 -56.34345 -56.34330 -56.34243 -56.34238 -56.34229 -56.34224 -56.34193 -56.34187 -38.87819 -34.08611 -34.08338 -34.08203 -19.13828 -19.13823 -14.41056 -14.41018 -14.40999 -14.38978 -14.38890 -14.38831 -14.36608 -10.29029 -10.28999 -10.28976 -10.28276 -10.28146 -10.28119 -10.25355 -10.25299 -10.25283 -10.22200 -10.20849 -10.20324 -10.20296 -10.19146 -10.19061 -10.17098 -8.72835 -8.72832 -8.72810 -8.72341 -8.72191 -8.72149 -8.72060 -8.72047 -8.72010 -8.11463 -6.79270 -6.55890 -6.55887 -6.55864 -6.55380 -6.55234 -6.55189 -6.55107 -6.55097 -6.55058 -6.54642 -6.54640 -6.54617 -6.54587 -6.54585 -6.54562 -6.54152 -6.54109 -6.53997 -6.53961 -6.53955 -6.53911 -6.53854 -6.53839 -6.53834 -6.53820 -6.53803 -6.53783 -6.07834 -6.07667 -6.07646 -4.35137 -2.84518 -2.84061 -2.83965 -2.67329 -2.67326 -2.67303 -2.66972 -2.66969 -2.66947 -2.66931 -2.66928 -2.66905 -2.66821 -2.66675 -2.66631 -2.66545 -2.66534 -2.66496 -2.66468 -2.66436 -2.66319 -2.66287 -2.66279 -2.66240 -2.66180 -2.66168 -2.66166 -2.66154 -2.66131 -2.66116 -2.65931 -2.65931 -2.65929 -2.65929 -2.65907 -2.65906 -2.65452 -2.65452 -2.65297 -2.65297 -2.65258 -2.65257 -2.65162 -2.65162 -2.65147 -2.65147 -2.65112 -2.65111 -1.11564 -1.09294 -1.08091 -1.08002 -1.01064 -0.89059 -0.88469 -0.88162 -0.88109 -0.87313 -0.86582 -0.86537 -0.83647 -0.81827 -0.81771 -0.81735 -0.79805 -0.79155 -0.78707 -0.78642 -0.77440 -0.76868 -0.76147 -0.76099 -0.71031 -0.64432 -0.63511 -0.62962 -0.62621 -0.61414 -0.61337 -0.59934 -0.59892 -0.58370 -0.57341 -0.53910 -0.53862 -0.53507 -0.49896 -0.49499 -0.49465 -0.49280 -0.48106 -0.47831 -0.47529 -0.46237 -0.45317 -0.44920 -0.44868 -0.44808 -0.44253 -0.43602 -0.43516 -0.43488 -0.43339 -0.43137 -0.42518 -0.41572 -0.39529 -0.39364 -0.39292 -0.38458 -0.37962 -0.37705 -0.37011 -0.36961 -0.36430 -0.36407 -0.36304 -0.36240 -0.35957 -0.35298 -0.35163 -0.33651 -0.33411 -0.33293 -0.32847 -0.32727 -0.32681 -0.32462 -0.32318 -0.32234 -0.32087 -0.31848 -0.31826 -0.31713 -0.30816 -0.30662 -0.30558 -0.29604 -0.29252 -0.28500 -0.27895 -0.27485 -0.27143 -0.26744 -0.26541 -0.26258 -0.26197 -0.25484 -0.16044 -0.15288 -0.05032 -0.04822 -0.04801 -0.04504 -0.04199 -0.04100 -0.03283 -0.01762 -0.01148 -0.00968 -0.00899 -0.00493 -0.00250 -0.00190 0.00742 0.00869 0.00906 0.01736 0.02948 0.02974 0.03171 0.05402 0.06073 0.06530 0.07261 0.07697 0.08291 0.08679 0.08905 0.09383 0.10259 0.10592 0.10683 0.11128 0.11270 0.11664 0.11936 0.12245 0.12614 0.13042 0.13098 0.13657 0.13717 0.14186 0.14590 0.14742 0.14861 0.14954 0.15204 0.15588 0.15748 0.16270 0.16539 0.16697 0.16793 0.17163 0.17247 0.17336 0.17921 0.18224 0.18578 0.19037 0.19458 0.19545 0.19659 0.19932 0.20118 0.20406 0.20787 0.20864 0.21167 0.21476 0.21715 0.21908 0.22133 0.22635 0.22694 0.22824 0.23065 0.23231 0.23552 0.23727 0.23783 0.24126 0.24265 0.24466 0.24632 0.24685 0.24759 0.24795 0.25162 0.25235 0.25362 0.25647 0.26081 0.26479 0.26908 0.26969 0.27037 0.27306 0.27579 0.27742 0.27810 0.28132 0.28386 0.28586 0.29280 0.29671 0.29903 0.30019 0.30226 0.30276 0.30860 0.31274 0.31777 0.31802 0.32390 0.32639 0.32998 0.33337 0.33563 0.33953 0.34266 0.34580 0.34755 0.34847 0.35016 0.35092 0.35418 0.35738 0.35914 0.36193 0.36396 0.36680 0.36730 0.37094 0.37304 0.37505 0.37629 0.38398 0.38564 0.38824 0.39022 0.39209 0.39672 0.39883 0.40509 0.40884 0.41235 0.41458 0.41635 0.41870 0.42123 0.42454 0.42578 0.42948 0.43104 0.43540 0.43697 0.44331 0.44732 0.45409 0.45518 0.46087 0.46386 0.46687 0.46959 0.47326 0.47588 0.48067 0.48484 0.48593 0.48918 0.49326 0.49855 0.50005 0.50583 0.50738 0.50858 0.51498 0.51865 0.51990 0.52103 0.52524 0.52703 0.53239 0.53420 0.54206 0.54399 0.54632 0.55158 0.55335 0.55370 0.56177 0.56754 0.56843 0.57210 0.57239 0.57466 0.57827 0.58127 0.58415 0.58791 0.59177 0.59689 0.59976 0.60113 0.60746 0.60902 0.61535 0.61695 0.62020 0.62066 0.63028 0.63132 0.63518 0.63699 0.63994 0.64405 0.64502 0.65230 0.65673 0.66164 0.66834 0.67099 0.67369 0.67667 0.67727 0.68143 0.68472 0.69140 0.69264 0.69541 0.69950 0.70273 0.70677 0.71102 0.71213 0.72377 0.72495 0.72757 0.73019 0.73470 0.73702 0.74027 0.74717 0.75339 0.76000 0.76274 0.76991 0.77104 0.77754 0.78111 0.78531 0.78942 0.79355 0.79673 0.79710 0.79865 0.80877 0.81258 0.81763 0.82691 0.83023 0.83102 0.83864 0.84306 0.84838 0.85342 0.85670 0.86401 0.86761 0.86909 0.87368 0.87662 0.87828 0.88579 0.88818 0.89246 0.89630 0.90489 0.90907 0.91536 0.93035 0.93102 0.93856 0.94203 0.94254 0.94665 0.95484 0.95875 0.96397 0.96543 0.96837 0.97195 0.97329 0.98156 0.98623 0.99223 0.99563 1.00134 1.00563 1.01217 1.01283 1.01685 1.01930 1.02663 1.02894 1.03769 1.04279 1.04813 1.05416 1.05521 1.05670 1.06220 1.06229 1.06956 1.07163 1.07274 1.08175 1.08667 1.09342 1.09895 1.10009 1.11065 1.11647 1.11949 1.12576 1.12659 1.13126 1.14198 1.15109 1.15500 1.16156 1.16186 1.16419 1.17758 1.17809 1.18510 1.18803 1.19331 1.19690 1.19764 1.20167 1.21040 1.21549 1.21802 1.22246 1.22910 1.23144 1.23941 1.24168 1.24559 1.25050 1.25614 1.26123 1.26762 1.26906 1.27340 1.27821 1.28218 1.28349 1.28934 1.29491 1.29859 1.30129 1.30233 1.30699 1.30968 1.31036 1.31394 1.31544 1.31814 1.32287 1.32778 1.33121 1.33410 1.33707 1.33922 1.34372 1.34749 1.34997 1.35510 1.35855 1.36771 1.37205 1.37945 1.38146 1.38482 1.38698 1.38861 1.39024 1.39272 1.39485 1.40308 1.40840 1.41028 1.41322 1.41475 1.42113 1.42486 1.42937 1.43503 1.43659 1.43791 1.44069 1.44225 1.44805 1.45172 1.45715 1.46028 1.47020 1.47269 1.47479 1.47870 1.48117 1.48212 1.48409 1.48725 1.49038 1.49221 1.49507 1.49601 1.49699 1.49823 1.50258 1.50571 1.50600 1.50676 1.50746 1.50852 1.50974 1.51230 1.51548 1.51672 1.51714 1.52040 1.52216 1.52277 1.52549 1.52696 1.52819 1.52927 1.53073 1.53295 1.53506 1.53816 1.54163 1.54216 1.54531 1.55158 1.55374 1.55451 1.55968 1.56132 1.56675 1.57102 1.57226 1.57710 1.58026 1.58442 1.58665 1.58795 1.59206 1.59523 1.59856 1.60046 1.60340 1.60586 1.60923 1.60981 1.61256 1.61376 1.61668 1.61931 1.62096 1.62251 1.62759 1.62989 1.63123 1.63480 1.63538 1.63986 1.64185 1.64470 1.65014 1.65245 1.65338 1.65441 1.65743 1.66260 1.66497 1.66728 1.66906 1.67498 1.68353 1.68956 1.69009 1.69241 1.69452 1.70040 1.70540 1.70824 1.71198 1.71752 1.72140 1.72672 1.73192 1.73204 1.73948 1.74344 1.74706 1.75035 1.75281 1.75441 1.75583 1.75977 1.76134 1.76655 1.77040 1.77144 1.77884 1.78761 1.78850 1.79202 1.79662 1.79953 1.80021 1.80512 1.80653 1.81088 1.81386 1.82177 1.82635 1.82903 1.83176 1.83526 1.84512 1.84707 1.84889 1.85333 1.85582 1.85808 1.86277 1.86814 1.86977 1.87186 1.87476 1.87844 1.88382 1.88647 1.88747 1.88832 1.89278 1.89720 1.90104 1.90333 1.91000 1.91459 1.92150 1.92460 1.93187 1.94715 1.95446 1.95927 1.96653 1.96850 1.97861 1.98223 1.99338 1.99850 2.00418 2.00628 2.01209 2.02320 2.03223 2.04125 2.05128 2.05969 2.06438 2.07471 2.07531 2.08153 2.08537 2.10792 2.10869 2.11363 2.11739 2.12690 2.12936 2.13357 2.13777 2.14762 2.15618 2.16698 2.17628 2.17794 2.17962 2.18429 2.19013 2.19780 2.20721 2.21200 2.21709 2.22597 2.23328 2.23683 2.24396 2.24612 2.26224 2.26637 2.26847 2.27476 2.27661 2.27842 2.28566 2.29346 2.29557 2.29983 2.32564 2.32691 2.33215 2.33476 2.34506 2.34849 2.35711 2.36259 2.36627 2.37145 2.37317 2.37723 2.38167 2.38609 2.38938 2.39156 2.40573 2.40586 2.41188 2.41280 2.43230 2.43781 2.44280 2.45254 2.46296 2.47182 2.48637 2.49437 2.50061 2.51401 2.51733 2.53146 2.53268 2.54417 2.55288 2.55999 2.56997 2.57071 2.57813 2.58864 2.59768 2.59871 2.60254 2.61336 2.61655 2.61756 2.62393 2.63030 2.63517 2.63945 2.64405 2.65957 2.66050 2.66335 2.66909 2.67277 2.67806 2.68232 2.69021 2.69209 2.70064 2.71498 2.71596 2.72092 2.72427 2.72922 2.72958 2.73196 2.74235 2.75512 2.76044 2.76185 2.77346 2.78586 2.78674 2.79136 2.79586 2.80357 2.80637 2.80829 2.81418 2.81766 2.83747 2.84082 2.84122 2.85133 2.85231 2.85920 2.87881 2.88278 2.88669 2.88976 2.91031 2.92188 2.93969 2.95050 2.95423 2.95706 2.97204 2.97888 2.98915 2.99259 2.99395 3.00980 3.01833 3.02348 3.02457 3.02655 3.03350 3.04110 3.04230 3.04763 3.05617 3.06867 3.07035 3.07561 3.08193 3.08390 3.08832 3.09138 3.09873 3.10283 3.11018 3.11189 3.11531 3.12088 3.13051 3.13303 3.13564 3.13701 3.14413 3.15839 3.16007 3.16687 3.17196 3.17740 3.17946 3.18839 3.19125 3.19510 3.20175 3.20980 3.22664 3.23221 3.23677 3.23808 3.24428 3.25259 3.26088 3.26467 3.26750 3.27968 3.28774 3.28954 3.29124 3.29639 3.29766 3.30060 3.30863 3.31544 3.31573 3.31806 3.32810 3.33800 3.34591 3.36331 3.36437 3.37348 3.37651 3.38067 3.38603 3.38849 3.38946 3.39419 3.39611 3.39683 3.39950 3.41152 3.41986 3.42193 3.42721 3.43588 3.44502 3.44788 3.44864 3.46099 3.46262 3.46441 3.47187 3.47820 3.47955 3.48855 3.49866 3.50694 3.50984 3.51159 3.52623 3.53304 3.54519 3.56052 3.56145 3.57648 3.60106 3.60139 3.61005 3.62883 3.64924 3.65325 3.67092 3.67341 3.67536 3.68336 3.68544 3.68964 3.72941 3.73558 3.73782 3.74462 3.74892 3.74943 3.75078 3.76609 3.77388 3.77594 3.78287 3.79282 3.81266 3.83421 3.83746 3.86027 3.86848 3.86977 3.87673 3.88072 3.90440 3.90822 3.91911 3.93693 3.95174 3.95345 3.95831 3.96005 3.96388 3.98171 3.98416 3.98533 3.98714 3.99611 3.99915 4.00075 4.00868 4.01052 4.01436 4.02319 4.02532 4.02798 4.03311 4.03866 4.04407 4.04804 4.05449 4.05904 4.07056 4.07814 4.08225 4.08518 4.09151 4.09289 4.09679 4.10435 4.10889 4.11055 4.12213 4.12875 4.13091 4.13585 4.13975 4.14523 4.14929 4.15093 4.16241 4.16351 4.16707 4.17232 4.17621 4.19065 4.19144 4.19767 4.20910 4.21226 4.22706 4.23304 4.23372 4.23567 4.24501 4.24693 4.24794 4.24968 4.25342 4.26041 4.27623 4.27961 4.28125 4.31169 4.31292 4.31434 4.33077 4.34096 4.36231 4.36745 4.36973 4.37207 4.37526 4.38005 4.38451 4.40241 4.40803 4.40988 4.41809 4.44411 4.44719 4.45796 4.49523 4.50224 4.51753 4.53121 4.54769 4.55734 4.55996 4.57014 4.61314 4.61523 4.63033 4.63445 4.63894 4.64184 4.65560 4.66854 4.67608 4.68105 4.68297 4.69168 4.70570 4.71156 4.72151 4.74465 4.75690 4.75925 4.77439 4.77956 4.78193 4.80257 4.80475 4.81934 4.85504 4.85939 4.86140 4.86350 4.86730 4.87397 4.87794 4.88269 4.89604 4.91266 4.91302 4.91697 4.94086 4.94405 4.95137 4.96041 4.98194 4.99111 4.99505 5.00437 5.02189 5.02349 5.03519 5.04262 5.08850 5.10681 5.11220 5.12779 5.13186 5.13615 5.13732 5.14266 5.14311 5.14680 5.15097 5.15466 5.17308 5.19169 5.19423 5.20952 5.21285 5.21846 5.22587 5.24026 5.24414 5.25022 5.28650 5.29441 5.30282 5.30337 5.30687 5.32668 5.36205 5.37261 5.39049 5.44219 5.48186 5.48263 5.49099 5.49322 5.51334 5.51494 5.52027 5.53638 5.54061 5.56711 5.57392 5.59452 5.60314 5.61023 5.61120 5.61308 5.62745 5.66698 5.67753 5.67962 5.73652 5.82230 5.82518 5.84441 5.86641 6.02480 6.09362 6.09506 6.12645 6.13000 6.22534 6.28341 6.32260 6.36008 6.44435 6.67705 6.73960 6.78222 6.79695 6.86110 6.88182 6.89580 6.91802 7.02808 7.03436 7.10077 7.12795 7.13393 7.26485 7.27613 7.56159 7.67064 7.67669 7.68747 7.76627 7.77588 7.80326 7.83922 7.84540 7.92056 9.38410 9.49159 9.61830 11.64124 12.90458 12.90577 12.90810 12.90877 12.91008 12.91046 12.91122 12.91612 12.94905 15.64928 20.70646 20.78321 20.79835 20.80372 20.88524 20.89245 21.05515 22.17406 22.19807 22.38275 22.52388 22.52755 22.56072 22.62774 22.66424 22.71944 22.79298 22.82019 22.82520 22.85425 22.94218 22.95012 22.97200 23.17973 32.33307 32.46977 32.47452 32.53289 32.72154 32.72655 32.87880 40.58129 43.56590 43.79240 137.52985 900.60716 -2.0294 -7.1171 -1.9960 7.6652 -301.3693 -354.7039 -341.2452 26.0454 9.6448 -5.6951 31.0702 -22.2645 -8.8057 26.0454 9.6448 -5.6951 -423.6076 -126.7605 -96.9059 -31.6260 -197.3272 -90.9689 -107.7005 -29.8574 -46.7521 18.3852 -19115.4300 -11547.8349 -11070.9360 297.0351 155.5529 -50.3545 -120.0883 -85.3893 -143.3378 -5424.3649 -5211.5641 -3772.3820 -113.7534 -29.3254 -57.6365 GINC-KIMIK2141 RPEREZ 2022-01-31T00:00:00.000+01:00 0 Cat_N_t_v3_SP 0 3 Version=EM64L-G09RevD.01 HF=-26380.0897482 S2=2.017649 S2-1=0. S2A=2.000179 RMSD=2.139e-09 Dipole=-0.7984276,-2.8000771,-0.7852954 Quadrupole=23.0998972,-16.5530752,-6.5468219,19.3640968,7.1706984,-4.2341536 PG=C01 [X(C16H8B1Br9Cu1N7O2S1)] 0 2.488498 0.780326 -0.64531 0 1.416765 1.619941 -0.703605 0 1.920848 -0.396347 1.521112 0 0.739637 0.220638 1.809995 0 1.251749 -1.421508 -0.691212 0 -0.021699 -0.93966 -0.77607 0 1.805276 2.714624 -1.35151 0 3.156223 2.611989 -1.733696 0 3.546676 1.360149 -1.260279 0 0.628088 0.263408 3.134711 0 1.748355 -0.330421 3.74654 0 2.544138 -0.733943 2.675609 0 -0.742873 -1.839355 -1.439288 0 0.054259 -2.940088 -1.806998 0 1.317036 -2.625931 -1.308178 0 2.350943 -0.605483 0.042859 0 3.381138 -1.182483 -0.000448 0 -1.967144 1.832328 0.27208 0 -3.477331 2.454786 0.595906 0 -3.526743 2.731187 2.040017 0 -3.727777 3.538316 -0.365709 0 -4.492017 1.055903 0.210191 0 -5.052482 0.945953 -1.06685 0 -4.649903 0.048227 1.171874 0 -5.791248 -0.193302 -1.375525 0 -4.913073 1.735969 -1.796712 0 -5.389126 -1.080279 0.841461 0 -4.204483 0.153235 2.155264 0 -5.967399 -1.222174 -0.433096 0 -6.238923 -0.287849 -2.360675 0 -5.518922 -1.868235 1.57764 0 -0.394301 0.945937 0.162413 0 -6.772429 -2.448192 -0.771321 0 -7.796266 -2.350751 -0.388441 0 -6.836521 -2.601961 -1.851965 0 -6.341083 -3.344245 -0.31458 0 -0.879559 1.04726 3.947298 0 2.09358 -0.534317 5.585765 0 4.21464 -1.597313 2.743824 0 0.607382 4.137652 -1.653764 0 4.196478 3.872673 -2.667446 0 5.235965 0.545658 -1.411157 0 -2.578878 -1.558251 -1.757119 0 -0.465275 -4.482961 -2.752748 0 2.891171 -3.650371 -1.431587