Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 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 Cl F O O O O O N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 1 2 3 3 3 3 3 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.8582,.0352,2.9746;-1.002,-1.252,3.1596;-2.8097,1.1224,2.8708;-1.296,-.4594,-1.1137;2.9734,1.6075,.7641;2.6577,.3796,-1.5598;1.8348,2.2077,-2.5555;-1.6878,.331,1.0178;-6.205,.8934,-.152;-5.8414,-.2397,-1.1112;-5.3909,.837,1.1422;-4.372,-.1875,-1.5336;-3.9713,.5485,.8237;-3.5251,.1017,-.3508;-2.8153,.7181,1.739;-2.0539,-.0622,-.2685;-.3747,.2934,1.5099;.6217,1.0418,.8957;-.0481,-.5196,2.5792;1.9395,.9528,1.3214;2.1918,-2.889,-3.3445;1.2455,-.5942,3.0521;2.7548,-1.8617,-2.3666;2.2326,.1346,2.4158;2.5373,-2.6394,-4.8088;2.2662,-.4604,-2.6635;2.0592,-3.7643,-5.7146;2.74,2.4147,-.3619;2.3502,1.6557,-1.6163;-6.0304,1.8544,-.6441;-7.269,.8537,.0852;-6.0426,-1.201,-.6297;-6.4761,-.1959,-1.9972;-5.4749,1.7736,1.6985;-5.7738,.0567,1.8084;-4.066,-1.1265,-2.0009;-4.2116,.5896,-2.2883;.3302,1.6954,.0839;1.1034,-2.9349,-3.2326;2.5663,-3.8749,-3.054;3.848,-1.8842,-2.3924;2.4535,-2.1376,-1.3526;1.4809,-1.2325,3.8935;2.0919,-1.6986,-5.1447;3.6202,-2.518,-4.9131;2.6988,-.0688,-3.5853;1.1776,-.4367,-2.7582;.9781,-3.8998,-5.6414;2.2932,-3.5645,-6.7613;2.5273,-4.7146,-5.4495;3.6831,2.9279,-.5634;1.991,3.1889,-.1715; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 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 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1676 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 222 Dim 1232 ENuc 3005.4731722593 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) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 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 off 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 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 7.862e-06 Time for diagonalization 0.527 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.261 sec Total time needed 0.795 sec 17 9 8 8 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.8582,.0352,2.9746;-1.002,-1.252,3.1596;-2.8097,1.1224,2.8708;-1.296,-.4594,-1.1137;2.9734,1.6075,.7641;2.6577,.3796,-1.5598;1.8348,2.2077,-2.5555;-1.6878,.331,1.0178;-6.205,.8934,-.152;-5.8414,-.2397,-1.1112;-5.3909,.837,1.1422;-4.372,-.1875,-1.5336;-3.9713,.5485,.8237;-3.5251,.1017,-.3508;-2.8153,.7181,1.739;-2.0539,-.0622,-.2685;-.3747,.2934,1.5099;.6217,1.0418,.8957;-.0481,-.5196,2.5792;1.9395,.9528,1.3214;2.1918,-2.889,-3.3445;1.2455,-.5942,3.0521;2.7548,-1.8617,-2.3666;2.2326,.1346,2.4158;2.5373,-2.6394,-4.8088;2.2662,-.4604,-2.6635;2.0592,-3.7643,-5.7146;2.74,2.4147,-.3619;2.3502,1.6557,-1.6163;-6.0304,1.8544,-.6441;-7.269,.8537,.0852;-6.0426,-1.201,-.6297;-6.4761,-.1959,-1.9972;-5.4749,1.7736,1.6985;-5.7738,.0567,1.8084;-4.066,-1.1265,-2.0009;-4.2116,.5896,-2.2883;.3302,1.6954,.0839;1.1034,-2.9349,-3.2326;2.5663,-3.8749,-3.054;3.848,-1.8842,-2.3924;2.4535,-2.1376,-1.3526;1.4809,-1.2325,3.8935;2.0919,-1.6986,-5.1447;3.6202,-2.518,-4.9131;2.6988,-.0688,-3.5853;1.1776,-.4367,-2.7582;.9781,-3.8998,-5.6414;2.2932,-3.5645,-6.7613;2.5273,-4.7146,-5.4495;3.6831,2.9279,-.5634;1.991,3.1889,-.1715; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.8582,.0352,2.9746;-1.002,-1.252,3.1596;-2.8097,1.1224,2.8708;-1.296,-.4594,-1.1137;2.9734,1.6075,.7641;2.6577,.3796,-1.5598;1.8348,2.2077,-2.5555;-1.6878,.331,1.0178;-6.205,.8934,-.152;-5.8414,-.2397,-1.1112;-5.3909,.837,1.1422;-4.372,-.1875,-1.5336;-3.9713,.5485,.8237;-3.5251,.1017,-.3508;-2.8153,.7181,1.739;-2.0539,-.0622,-.2685;-.3747,.2934,1.5099;.6217,1.0418,.8957;-.0481,-.5196,2.5792;1.9395,.9528,1.3214;2.1918,-2.889,-3.3445;1.2455,-.5942,3.0521;2.7548,-1.8617,-2.3666;2.2326,.1346,2.4158;2.5373,-2.6394,-4.8088;2.2662,-.4604,-2.6635;2.0592,-3.7643,-5.7146;2.74,2.4147,-.3619;2.3502,1.6557,-1.6163;-6.0304,1.8544,-.6441;-7.269,.8537,.0852;-6.0426,-1.201,-.6297;-6.4761,-.1959,-1.9972;-5.4749,1.7736,1.6985;-5.7738,.0567,1.8084;-4.066,-1.1265,-2.0009;-4.2116,.5896,-2.2883;.3302,1.6954,.0839;1.1034,-2.9349,-3.2326;2.5663,-3.8749,-3.054;3.848,-1.8842,-2.3924;2.4535,-2.1376,-1.3526;1.4809,-1.2325,3.8935;2.0919,-1.6986,-5.1447;3.6202,-2.518,-4.9131;2.6988,-.0688,-3.5853;1.1776,-.4367,-2.7582;.9781,-3.8998,-5.6414;2.2932,-3.5645,-6.7613;2.5273,-4.7146,-5.4495;3.6831,2.9279,-.5634;1.991,3.1889,-.1715; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3020 GEPOL Volume 2804.7910 GEPOL Surface-area 1595.8244 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.9s -1805.21656146 3005.47317226 -4810.68973372 -8449.27805134 3638.58831762 -0.03572954 -3604.16783548 1798.95127402 2.00348274 110.999935525027 110.999935525027 221.999871050054 -147.725565751610 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 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1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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3.4647 3.5626 3.8449 4.0028 4.1080 4.2169 4.2961 4.4494 4.4521 4.4929 4.7822 4.8988 4.9998 5.0594 5.2458 5.2697 5.3540 5.5629 5.6942 5.7168 5.8353 5.9302 5.9806 6.0906 6.1985 6.2857 6.4072 6.4589 6.5906 6.6749 6.7011 6.8702 7.0219 7.0804 7.1401 7.2538 7.4887 7.5255 7.6379 7.6866 7.8350 7.9111 7.9812 8.0929 8.1510 8.1733 8.3694 8.4475 8.5915 8.7343 8.8362 8.8851 8.9816 9.0599 9.1644 9.1876 9.3407 9.5155 9.5824 9.6922 9.7692 9.9423 10.0208 10.0350 10.1724 10.2853 10.4784 10.6217 10.6483 10.8061 10.8876 11.1093 11.1336 11.2680 11.2846 11.4569 11.4788 11.5696 11.7002 11.7722 11.9733 12.0313 12.0920 12.3085 12.4287 12.4859 12.5921 12.6701 12.8325 12.8815 13.0408 13.1133 13.1537 13.2325 13.2914 13.3781 13.4564 13.4937 13.5320 13.5996 13.6544 13.8221 13.8556 13.9237 14.0433 14.0673 14.1594 14.2080 14.2760 14.3142 14.3690 14.5472 14.5659 14.6017 14.6609 14.7140 14.7745 14.8614 14.9555 15.0383 15.0973 15.2167 15.2834 15.4072 15.4562 15.5168 15.5561 15.6960 15.7103 15.7798 15.8832 16.0450 16.1748 16.2788 16.3516 16.4435 16.6298 16.6681 16.7582 17.0345 17.0745 17.1247 17.2602 17.4641 17.6211 17.6778 17.8078 17.9857 18.0418 18.3213 18.4167 18.6753 18.7270 18.8283 18.8956 19.1474 19.2004 19.3037 19.3388 19.5928 19.7644 19.9379 19.9839 20.2895 20.4166 20.6005 20.7617 20.8195 21.1052 21.2269 21.3469 21.5068 21.5933 21.6756 21.7003 21.8854 22.0391 22.1917 22.2891 22.2954 22.4908 22.6270 22.7096 22.9528 23.0644 23.1567 23.2791 23.3119 23.4306 23.5044 23.5478 23.6262 23.6984 23.7630 23.9410 24.1153 24.2714 24.5214 24.6354 24.8373 24.9809 25.1249 25.1952 25.3494 25.4082 25.4518 25.5684 25.7577 25.8705 26.0313 26.1418 26.1716 26.3141 26.6321 26.7103 26.8700 26.9309 27.2198 27.2568 27.4224 27.5915 27.6679 27.9539 28.0331 28.1300 28.3079 28.3443 28.4123 28.7910 28.8891 28.9272 29.0000 29.1430 29.2960 29.4608 29.6008 29.8047 29.9327 29.9943 30.0185 30.2683 30.3406 30.4274 30.6426 30.7597 30.9555 31.0028 31.2052 31.2349 31.3938 31.4747 31.5394 31.5954 31.8775 32.0087 32.0606 32.3108 32.4112 32.4868 32.6430 32.7630 33.0059 33.0313 33.2072 33.2950 33.5089 33.6086 33.6916 33.7519 33.8964 33.9450 34.0646 34.2125 34.3374 34.5283 34.7065 34.7493 34.8761 34.9766 35.1306 35.2663 35.4416 35.5623 35.7205 35.8027 35.8853 36.0191 36.0665 36.2083 36.3732 36.6062 36.7115 36.8865 36.9806 37.0775 37.1491 37.3137 37.4244 37.5340 37.7322 37.9312 37.9544 38.0616 38.3146 38.4415 38.5922 38.6459 38.7024 38.9472 39.0275 39.2511 39.3150 39.3941 39.7034 39.9393 40.1244 40.2612 40.3509 40.5111 40.6684 40.9019 41.0757 41.3025 41.4567 41.5098 41.6204 41.7397 41.8024 42.0422 42.1137 42.2017 42.2149 42.3800 42.5237 42.5783 42.7372 42.8561 42.9462 43.0833 43.1804 43.2197 43.4108 43.5173 43.5834 43.6660 43.7946 43.9053 44.0100 44.1586 44.4357 44.5235 44.7128 44.7255 44.9275 45.1298 45.3130 45.4548 45.5341 45.6932 45.8664 46.1203 46.1743 46.3385 46.3560 46.4675 46.6975 46.7795 46.8537 47.0046 47.1899 47.2977 47.5296 47.6808 47.8514 47.9946 48.0312 48.1999 48.3098 48.4187 48.4681 48.8302 49.0256 49.0417 49.5914 49.8109 49.9329 49.9885 50.2636 50.3757 50.4807 50.6294 50.7956 50.9448 51.0677 51.3020 51.3505 51.4881 52.1592 52.3183 52.4348 52.6581 52.9752 53.0627 53.1929 53.4232 53.6477 53.8862 54.1027 54.2392 54.4213 54.7118 54.8398 55.0719 55.3289 55.6038 55.8644 56.1193 56.3558 56.5956 56.6727 56.8910 57.1196 57.2968 57.6092 57.8001 57.9808 58.0755 58.2412 58.7582 58.8689 59.0557 59.2372 59.3550 59.5729 59.7136 59.8553 60.1903 60.2237 60.3063 60.6681 60.7420 61.0271 61.2138 61.3181 61.4973 61.6185 61.7400 61.8072 62.1285 62.3982 62.6048 62.7890 62.8612 62.9935 63.0817 63.2102 63.2585 63.4734 63.7440 64.0727 64.3131 64.4098 64.5326 64.7628 65.0419 65.1669 65.2244 65.5322 65.7665 65.8108 66.2513 66.4263 66.5455 66.7557 66.9903 67.4202 67.7927 67.9346 68.1086 68.3120 68.5500 68.8959 69.0671 69.2657 69.3160 69.5845 70.0423 70.1308 70.4692 70.8114 70.9429 70.9974 71.1118 71.2887 71.7613 71.9332 72.1069 72.2137 72.4409 72.5126 72.6569 72.7968 72.8875 73.0825 73.3466 73.5481 73.6981 73.9399 74.0144 74.2491 74.5387 74.7342 75.0500 75.2888 75.3700 75.3894 75.5486 75.6846 75.7530 76.1787 76.2655 76.3575 76.4948 76.5769 76.7998 76.8486 77.0733 77.3092 77.4233 77.6843 77.8130 77.8330 78.2016 78.3501 78.5356 78.9316 78.9570 79.1110 79.2292 79.3165 79.4875 79.5329 79.5508 79.9279 79.9527 80.1496 80.2561 80.4881 80.6617 80.6930 80.9131 80.9647 81.1173 81.1780 81.4085 81.5245 81.6162 81.6808 81.8449 81.9891 82.1941 82.2671 82.4263 82.5632 82.6718 82.8245 83.0419 83.1890 83.2646 83.4431 83.5893 83.7959 83.9212 84.0323 84.1071 84.2941 84.3933 84.6184 84.7176 84.9943 85.1254 85.1482 85.2172 85.2525 85.5083 85.5783 85.6014 85.7995 86.0063 86.0954 86.1701 86.2722 86.5326 86.5534 86.7283 86.8219 86.9716 87.0882 87.2107 87.2452 87.3652 87.4955 87.5922 87.7958 87.9391 87.9987 88.1245 88.2011 88.2729 88.4033 88.5408 88.6362 88.7453 88.7883 88.8680 89.0007 89.1019 89.2346 89.4224 89.4758 89.5713 89.6869 89.7342 89.8223 90.0844 90.2299 90.3155 90.3274 90.4604 90.5156 90.6653 90.7477 90.8794 90.9066 91.0755 91.1865 91.2783 91.5503 91.5628 91.7155 91.9033 92.0511 92.1688 92.2351 92.3266 92.5047 92.5817 92.7392 92.9358 93.2590 93.4298 93.4694 93.5572 93.5962 93.9194 94.0186 94.1941 94.3279 94.4129 94.5370 94.6618 94.7247 94.8702 95.0577 95.2035 95.2496 95.3503 95.4815 95.5386 95.6786 95.8767 95.9878 96.2546 96.3311 96.6370 96.7740 96.8653 97.0496 97.1951 97.2830 97.6149 97.7375 97.8974 98.0369 98.0976 98.2022 98.3413 98.4519 98.7081 98.8365 99.2137 99.2507 99.3674 99.5845 99.6028 99.8244 99.9348 100.1171 100.3728 100.4841 100.5288 100.6282 100.9055 101.1241 101.2053 101.3703 101.5328 101.7565 101.8364 101.9795 102.0825 102.2559 102.3821 102.4658 102.7743 102.9241 103.0584 103.1205 103.4328 103.5086 103.6105 103.7337 103.9203 104.0222 104.1092 104.3783 104.4216 104.6169 104.8070 104.9278 105.0084 105.2725 105.4469 105.6291 105.8959 106.0450 106.2279 106.4629 106.5490 106.7261 106.9341 107.1754 107.3082 107.3705 107.5754 107.7291 107.8589 107.9104 108.0212 108.4344 108.5368 108.6012 108.6700 108.9088 109.0062 109.0250 109.1482 109.3094 109.4813 109.6383 109.7739 109.9391 110.2311 110.3333 110.4838 110.5644 110.6618 110.8143 110.9711 111.0619 111.4149 111.5111 111.5867 111.7778 112.0012 112.2254 112.4808 112.6453 112.8616 113.0341 113.1365 113.1427 113.3905 113.6924 113.8017 113.8389 113.9579 114.1229 114.2702 114.3444 114.4712 114.6177 114.7593 114.8363 114.9500 115.0802 115.1517 115.3838 115.4714 115.5321 115.7135 115.8005 116.0125 116.0743 116.1336 116.4394 116.5419 116.6810 116.9794 117.3176 117.3779 117.4877 117.6047 117.8355 117.9222 118.0868 118.3077 118.3351 118.5546 118.6699 118.7542 118.9756 119.1659 119.2839 119.4499 119.5737 119.8856 119.9988 120.1226 120.1955 120.3303 120.6051 120.6547 120.7724 120.9577 121.2222 121.3178 121.5359 121.6732 121.7666 121.8859 122.1694 122.3362 122.4015 122.7898 122.8323 123.2343 123.3419 123.4911 123.9526 124.1356 124.3426 124.6388 124.7994 124.8795 125.3264 125.3846 125.8208 126.1112 126.2760 126.5214 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