Orca 5.0.2 RELEASE 1 2 3 4 5 11s6p2d1f 5s2p1d 11s6p2d1f 11s6p2d1f 14s9p3d1f 5s3p2d1f 3s2p1d 5s3p2d1f 5s3p2d1f 5s5p3d1f 0 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 N H C H C O C C O N H C H H H O H H S H C O C H H C H H C H N H H C O O H H 1 2 3 2 3 4 3 3 4 1 2 3 2 2 2 4 2 2 5 2 3 4 3 2 2 3 2 2 3 2 1 2 2 3 4 4 2 2 290.1885 AuxInfo=1/0/N:26,23,3,12,29,8,21,5,7,34,31,1,10,22,16,6,9,36,35,19/CRV:7.3,8.3,9.3,10.3,11.4,14.1,16.1,17.1,19.1/rA:38NHCHC3O1C3CO1NHCHHHOHHSHC3O1CHHCHHCHN4HHC3O1OHH/rB:s1;s1;s3;s3;s5;s1;s7;s7;s8;s8;s8;s10;s12;s12;s5;s16;s3;s12;s19;s10;s21;s21;s23;s23;s23;s26;s26;s26;s29;s29;s31;s31;s29;s34;s34;s36;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Method DFT(GTOs) Exchange WB97X-V Correlation WB97X-V PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.167000 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.833000 Range separation parameter mu (erf(mu*r12)/r12) 0.300000 RI-approximation to the Coulomb term is turned on functions 1180 RIJ-COSX (HFX calculated with COS-X)) on IntName GSH-H_tc_322_OptFreq HFTyp RHF Charge 1 Mult 1 NEL 162 Dim 883 ENuc 1947.1776830378 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 2.000e-06 Converg. threshold II (energy diff.) 1.000e-09 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 1.000e-12 Eh TCut 1.000e-14 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-09 Eh 1-El. energy change 1.000e-06 Eh TolG 2.000e-06 TolX 2.000e-06 TolErr 1.000e-08 Smallest eigenvalue 3.819e-05 Time for diagonalization 0.236 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.138 sec Total time needed 0.380 sec Method DFT(GTOs) Exchange WB97X-V Correlation WB97X-V PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.167000 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.833000 Range separation parameter mu (erf(mu*r12)/r12) 0.300000 RI-approximation to the Coulomb term is turned on functions 1180 RIJ-COSX (HFX calculated with COS-X)) on IntName GSH-H_tc_322_OptFreq HFTyp RHF Charge 1 Mult 1 NEL 162 Dim 883 ENuc 1947.1803124491 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 1 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 2.000e-06 Converg. threshold II (energy diff.) 1.000e-09 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF on SOSCFMaxIt 150 SOSCFStart 0.003300 CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 1.000e-12 Eh TCut 1.000e-14 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-09 Eh 1-El. energy change 1.000e-06 Eh TolG 2.000e-06 TolX 2.000e-06 TolErr 1.000e-08 Smallest eigenvalue 3.819e-05 Time for diagonalization 0.215 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.146 sec Total time needed 0.366 sec 7 1 6 1 6 8 6 6 8 7 1 6 1 1 1 8 1 1 16 1 6 8 6 1 1 6 1 1 6 1 7 1 1 6 8 8 1 1 290.1885 AuxInfo=1/0/N:26,23,3,12,29,8,21,5,7,34,31,1,10,22,16,6,9,36,35,19/CRV:7.3,8.3,9.3,10.3,11.4,14.1,16.1,17.1,19.1/rA:38NHCHC3O1C3CO1NHCHHHOHHSHC3O1CHHCHHCHN4HHC3O1OHH/rB:s1;s1;s3;s3;s5;s1;s7;s7;s8;s8;s8;s10;s12;s12;s5;s16;s3;s12;s19;s10;s21;s21;s23;s23;s23;s26;s26;s26;s29;s29;s31;s31;s29;s34;s34;s36;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1 1 wB97X-D3BJ Opt Freq def2-TZVPP def2/J RIJCOSX VeryTightSCF PAL8 defgrid3 TightOpt maxcore 4096 geom MaxIter 300 # MaxStep 0.1 Calc_Hess true chelpg grid 0.1 rmax 3.0 -1406.318314346389 0 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 N H C H C O C C O N H C H H H O H H S H C O C H H C H H C H N H H C O O H H 0.324105 -0.011840 -0.047998 0.037596 -0.394959 0.166999 -0.382178 -0.128909 0.105934 0.371568 0.050555 -0.233037 0.002932 -0.012175 0.015154 0.401980 -0.065447 0.023523 0.481993 -0.144762 -0.356413 0.123711 0.001827 0.036814 0.037284 0.004926 0.045853 0.033807 -0.050626 0.045860 0.599153 -0.040415 0.037285 -0.465473 0.141269 0.356806 -0.151887 0.039187 0 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 N H C H C O C C O N H C H H H O H H S H C O C H H C H H C H N H H C O O H H 7.1731 0.8101 6.0641 0.8546 5.6563 8.3396 5.8305 6.0166 8.3121 7.1359 0.8348 6.1622 0.8030 0.8866 0.8544 8.2473 0.7509 0.9051 16.1505 0.8852 5.6376 8.4693 6.2398 0.8665 0.8908 6.1973 0.8614 0.8618 6.0014 0.8347 7.0740 0.7674 0.7808 5.7111 8.2981 8.3371 0.7328 0.7650 7.0000 1.0000 6.0000 1.0000 6.0000 8.0000 6.0000 6.0000 8.0000 7.0000 1.0000 6.0000 1.0000 1.0000 1.0000 8.0000 1.0000 1.0000 16.0000 1.0000 6.0000 8.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 7.0000 1.0000 1.0000 6.0000 8.0000 8.0000 1.0000 1.0000 -0.1731 0.1899 -0.0641 0.1454 0.3437 -0.3396 0.1695 -0.0166 -0.3121 -0.1359 0.1652 -0.1622 0.1970 0.1134 0.1456 -0.2473 0.2491 0.0949 -0.1505 0.1148 0.3624 -0.4693 -0.2398 0.1335 0.1092 -0.1973 0.1386 0.1382 -0.0014 0.1653 -0.0740 0.2326 0.2192 0.2889 -0.2981 -0.3371 0.2672 0.2350 3.0660 1.0308 3.8915 0.9871 4.2794 2.1500 4.3874 3.7229 2.2065 3.2628 1.0141 3.9923 1.0056 1.0128 0.9987 2.2576 1.0111 1.0080 2.1607 1.0210 4.0180 2.0141 3.8869 1.0091 1.0235 3.8409 1.0214 1.0012 3.8345 0.9966 3.5722 1.0776 0.9806 4.3508 2.1895 2.1742 1.0815 0.9880 3.0660 1.0308 3.8915 0.9871 4.2794 2.1500 4.3874 3.7229 2.2065 3.2628 1.0141 3.9923 1.0056 1.0128 0.9987 2.2576 1.0111 1.0080 2.1607 1.0210 4.0180 2.0141 3.8869 1.0091 1.0235 3.8409 1.0214 1.0012 3.8345 0.9966 3.5722 1.0776 0.9806 4.3508 2.1895 2.1742 1.0815 0.9880 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.9383 0.9372 1.2321 0.9532 0.9714 0.9815 1.9071 1.2768 0.1759 0.9236 2.1192 0.8390 0.9769 0.9395 0.9567 1.3701 0.9650 0.9907 1.0650 0.9441 1.0103 1.6510 0.9100 0.2221 1.0303 1.0077 0.9041 0.9809 0.9991 0.9443 0.9669 0.8721 0.9579 0.8221 0.9422 0.9225 2.0656 1.2415 0.8527 0 1 0 2 0 6 2 3 2 4 2 17 4 5 4 15 5 36 6 7 6 8 7 9 7 10 7 11 9 12 9 20 11 13 11 14 11 18 15 16 18 19 20 21 20 22 21 31 22 23 22 24 22 25 25 26 25 27 25 28 28 29 28 30 28 33 30 31 30 32 30 37 33 34 33 35 35 36 1.0000000 0 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 N H C H C O C C O N H C H H H O H H S H C O C H H C H H C H N H H C O O H H -0.173133 0.189890 -0.064106 0.145360 0.343663 -0.339649 0.169498 -0.016644 -0.312055 -0.135922 0.165174 -0.162210 0.196958 0.113444 0.145610 -0.247273 0.249101 0.094941 -0.150495 0.114831 0.362369 -0.469279 -0.239797 0.133452 0.109245 -0.197285 0.138591 0.138167 -0.001392 0.165288 -0.073963 0.232563 0.219214 0.288909 -0.298120 -0.337112 0.267196 0.234973 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 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 23.68 41.33 59.73 65.93 78.73 83.45 101.62 114.91 127.44 130.95 134.04 154.59 179.33 190.43 198.17 224.06 228.55 261.15 310.03 335.41 343.23 351.49 368.52 431.28 438.49 451.97 484.95 531.61 545.29 574.24 575.39 581.81 633.72 636.68 647.31 667.83 712.55 749.72 763.99 772.18 801.13 819.89 824.15 886.91 900.19 910.47 939.98 951.56 962.49 973.60 983.78 1025.51 1050.06 1058.56 1095.09 1139.24 1170.47 1178.92 1187.61 1224.34 1230.49 1241.73 1256.50 1283.32 1288.38 1295.55 1339.79 1369.85 1373.23 1378.95 1392.79 1400.41 1417.00 1424.40 1436.19 1445.34 1466.92 1484.26 1492.43 1495.17 1504.19 1505.88 1532.31 1611.24 1624.74 1712.16 1719.76 1790.17 1806.10 1861.13 2727.61 2767.00 3040.54 3080.71 3099.24 3115.84 3120.04 3120.10 3143.91 3157.68 3176.45 3185.42 3221.53 3497.82 3571.27 3633.95 3664.20 3789.80 0.003004 0.006864 0.004803 0.005551 0.006881 0.001738 0.002295 0.001110 0.001719 0.000386 0.001222 0.003929 0.006841 0.004429 0.002361 0.000991 0.007781 0.000583 0.003302 0.008051 0.000710 0.001658 0.000259 0.001146 0.000429 0.005099 0.005538 0.002367 0.003745 0.005369 0.003104 0.001375 0.001411 0.005173 0.003355 0.008268 0.008340 0.001853 0.000870 0.000240 0.000288 0.001543 0.001606 0.000636 0.000165 0.000280 0.000420 0.008037 0.000974 0.000536 0.001191 0.000239 0.000217 0.001588 0.001274 0.001870 0.000445 0.001357 0.005205 0.003470 0.003695 0.001638 0.004681 0.000332 0.004314 0.000128 0.001041 0.001162 0.000498 0.001228 0.001885 0.000205 0.004376 0.007409 0.001569 0.001791 0.000831 0.012651 0.000255 0.000541 0.000026 0.001790 0.003686 0.002544 0.004062 0.006350 0.004890 0.021467 0.005953 0.011453 0.021409 0.000009 0.000319 0.000058 0.000289 0.000098 0.000042 0.000028 0.000074 0.000010 0.014590 0.012611 0.000117 0.001553 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-0.058558 0.006480 0.049979 -0.028543 -0.031551 -0.009664 0.084729 0.025260 -0.087672 0.003991 0.039769 0.008318 -0.014216 -0.008443 -0.004617 0.027877 -0.007865 0.007130 0.011292 -0.007927 0.013649 -0.006220 0.031795 -0.022957 0.002325 -0.032219 0.017886 0.015752 -0.011911 0.018138 -0.012849 -0.002369 -0.007213 0.010379 0.009583 0.003946 -0.013134 0.012909 -0.004580 -0.015257 -0.063101 0.028760 0.056812 -0.018669 -0.016158 0.019095 0.020121 -0.009504 -0.006369 0.025321 -0.020707 0.010988 0.005754 -0.000156 0.014339 -0.014666 -0.001533 -0.000149 0.034963 0.009423 -0.016645 0.020430 -0.019169 0.022122 -0.029290 0.020171 0.024609 0.008935 0.012156 -0.014752 -0.016797 0.032505 -0.004241 -0.035987 0.008269 -0.061983 -0.040899 0.011990 -0.040662 -0.014817 0.022122 -0.054647 -0.028202 -0.006366 0.028325 0.030412 0.058472 -0.018355 0.015748 0.007126 -0.005769 -0.014002 -0.059652 0.023650 -0.008651 0.002079 0.006973 0.009890 -0.025242 -0.017504 0.013654 0.021605 -0.022548 -0.010107 0.006265 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0.001337 -0.006050 0.027681 -0.021962 -0.012105 0.010672 -0.033716 0.023385 0.024693 -0.000500 -0.004278 -0.012870 0.049807 0 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 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 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74.2973 74.5836 75.0123 75.1415 75.4138 75.4354 75.5063 75.8722 76.0704 76.1961 76.4612 76.9131 77.2444 77.4387 77.7686 77.9288 78.0399 78.1902 78.3277 78.6318 78.8602 79.0330 79.3105 79.6010 79.7997 79.8506 79.9619 80.2920 80.4586 80.6489 80.9158 81.1253 81.4466 81.6397 82.0462 82.0662 82.1347 82.4549 82.4939 82.7568 82.7720 82.8327 83.2244 83.3378 83.6090 83.7687 83.9161 84.0164 84.1796 84.3681 84.5445 84.8251 85.0267 85.1482 85.4343 85.7070 85.8250 85.9956 86.1135 86.1331 86.4557 86.5102 87.0298 87.0950 87.1409 87.3853 87.5712 87.6033 87.7693 88.0293 88.0887 88.4007 88.4756 88.8786 88.9484 89.5789 89.5919 89.8513 89.9959 90.0611 90.2371 90.4688 90.6097 90.8017 90.9182 91.0737 91.2089 91.4493 91.7265 91.8175 92.0241 92.2401 92.4316 92.7183 92.9368 93.0481 93.2001 93.3114 93.6945 93.7615 94.0055 94.0463 94.2568 94.5159 94.7986 94.8876 95.2728 95.6488 95.8531 96.0059 96.1606 96.3829 96.5824 96.6739 97.1395 97.1515 97.3206 97.4593 97.5727 97.7810 98.0963 98.2568 98.3519 98.4924 98.8767 99.0256 99.1748 99.3968 99.7086 99.8378 100.1120 100.2829 100.4370 100.6052 100.8380 101.0370 101.2386 101.5993 101.7783 101.8542 102.3082 102.7177 102.8264 102.8457 103.2555 103.3674 103.4465 103.8166 104.0628 104.1790 104.4633 104.7617 104.9550 105.0996 105.3174 105.6982 105.8621 106.2279 106.4089 106.7398 106.9734 107.1515 107.3195 107.6271 107.7620 108.1076 108.4355 108.5501 108.8272 109.0130 109.0948 109.3660 109.3928 109.6399 109.9630 110.1824 110.2953 110.5357 110.7159 110.7741 111.1229 111.2541 111.4422 111.7531 112.0182 112.1672 112.3286 112.6107 112.7580 112.9583 113.1496 113.2850 113.5803 113.7264 114.0009 114.2239 114.6155 114.8083 114.8753 115.1362 115.3564 115.5624 115.7109 116.0735 116.4282 116.7011 116.7594 117.0670 117.4510 117.6661 117.6769 118.0888 118.2740 118.6032 118.7649 118.8050 119.3588 119.4350 119.7206 120.1152 120.3554 120.5285 121.1562 121.1935 121.6207 121.7743 121.8325 122.9446 123.2522 123.5122 123.7834 124.5451 124.6571 125.0461 125.3941 125.5423 126.0049 126.2862 126.4582 126.8199 127.0024 127.3107 127.3924 127.6414 128.2954 128.5195 128.9321 129.1875 129.3500 129.6356 129.9230 130.2016 130.5166 130.7567 131.0907 131.6414 131.8238 131.9034 132.3664 132.7972 133.0060 133.2801 133.6756 133.7915 134.0298 134.1858 134.6461 134.9519 135.2995 135.9142 136.1261 136.4477 136.5695 136.9325 137.8439 137.9763 138.3312 138.7922 138.9573 139.5797 140.0800 140.3632 140.4214 140.8194 141.1127 141.3895 141.4451 141.6939 141.7923 142.1027 142.4916 143.1981 143.4008 143.9378 144.0479 144.3883 145.0763 145.6075 145.7920 145.9898 146.2675 146.4195 146.5216 146.9166 147.1759 147.6528 147.7969 148.3020 148.5924 148.9702 149.1620 149.3535 149.4807 150.4496 150.8230 151.4908 151.6227 151.8555 152.0257 152.1888 152.2878 152.4098 153.2102 153.7310 153.9979 154.1846 154.3608 154.8901 155.0560 155.1688 155.4573 155.8690 156.2349 156.6077 156.9501 157.1115 157.4983 157.8029 158.2400 159.2841 160.0503 161.3697 162.5123 162.9072 163.2897 163.3367 163.4521 163.8918 164.3627 165.6565 165.9713 167.1373 168.5522 169.0148 169.8636 171.0856 171.6871 172.3552 172.9405 173.5509 173.8708 174.4668 175.0140 175.3459 175.4476 175.7222 175.9280 176.1601 177.6462 178.0337 178.4481 178.7031 178.7770 179.2406 180.0671 180.5956 181.2860 181.8782 182.3160 182.4892 183.7822 184.0121 185.3826 185.8888 186.2103 186.2357 186.5079 186.8308 186.9476 187.5250 187.6896 188.2218 188.4597 189.6796 189.9795 190.8347 192.2644 193.6728 194.2504 194.7189 195.6295 195.8167 197.9487 199.9720 201.2723 202.7789 202.9609 203.7679 204.1693 209.3686 244.2866 253.2199 258.8103 551.5993 625.6193 628.7668 632.9281 634.1088 634.4279 635.9830 638.1921 638.5278 639.7296 640.2224 895.2389 899.3926 901.6736 1193.4798 1194.5268 1195.5910 1196.9906 1200.5861 1204.5907 1.0000000 0 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 N H C H C O C C O N H C H H H O H H S H C O C H H C H H C H N H H C O O H H -0.173184 0.189870 -0.064059 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H H S H C O C H H C H H C H N H H C O O H H 7.1732 0.8101 6.0641 0.8547 5.6564 8.3396 5.8305 6.0164 8.3121 7.1361 0.8348 6.1623 0.8030 0.8866 0.8544 8.2473 0.7509 0.9050 16.1506 0.8851 5.6376 8.4692 6.2398 0.8665 0.8907 6.1973 0.8614 0.8618 6.0014 0.8347 7.0740 0.7674 0.7808 5.7111 8.2981 8.3371 0.7328 0.7650 7.0000 1.0000 6.0000 1.0000 6.0000 8.0000 6.0000 6.0000 8.0000 7.0000 1.0000 6.0000 1.0000 1.0000 1.0000 8.0000 1.0000 1.0000 16.0000 1.0000 6.0000 8.0000 6.0000 1.0000 1.0000 6.0000 1.0000 1.0000 6.0000 1.0000 7.0000 1.0000 1.0000 6.0000 8.0000 8.0000 1.0000 1.0000 -0.1732 0.1899 -0.0641 0.1453 0.3436 -0.3396 0.1695 -0.0164 -0.3121 -0.1361 0.1652 -0.1623 0.1970 0.1134 0.1456 -0.2473 0.2491 0.0950 -0.1506 0.1149 0.3624 -0.4692 -0.2398 0.1335 0.1093 -0.1973 0.1386 0.1382 -0.0014 0.1653 -0.0740 0.2326 0.2192 0.2889 -0.2981 -0.3371 0.2672 0.2350 3.0660 1.0308 3.8915 0.9871 4.2794 2.1500 4.3873 3.7230 2.2065 3.2628 1.0142 3.9925 1.0056 1.0127 0.9987 2.2576 1.0111 1.0080 2.1609 1.0210 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