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:4.0619,2.7059,2.1191;-.8315,3.5075,1.2925;-1.6731,-.7647,2.2026;-1.6332,2.1594,-1.2789;3.3564,.0213,1.4644;2.5476,-2.9893,-.2151;3.278,-1.0387,-1.0643;-1.3311,.8734,.6114;-5.1458,-1.5684,-.6204;-5.5343,-.2107,-1.204;-4.2846,-1.4235,.6353;-4.3106,.6016,-1.6337;-3.2454,-.3911,.4002;-3.2502,.4869,-.6035;-2.026,-.1742,1.2162;-2.0152,1.3055,-.5238;-.0504,1.3122,.9834;1.0079,.4115,1.0217;.1807,2.6371,1.3042;2.282,.8255,1.3802;.4346,-2.2227,-2.4278;1.4428,3.0817,1.6414;.9337,-3.5835,-1.9577;2.484,2.1748,1.6827;-.9761,-2.2896,-3.0021;2.3744,-3.6301,-1.4936;-1.3986,-.9923,-3.6734;3.1755,-1.3619,1.3164;3.0029,-1.7545,-.1382;-6.0413,-2.1452,-.385;-4.5929,-2.1415,-1.3709;-6.1984,-.3469,-2.0586;-6.0986,.3546,-.4569;-4.8974,-1.1352,1.4957;-3.8195,-2.3755,.9026;-3.9214,.242,-2.5915;-4.5735,1.6503,-1.7923;.8001,-.6174,.7618;1.1176,-1.8347,-3.1906;.4463,-1.4986,-1.6071;.8629,-4.2927,-2.7886;.2852,-3.9788,-1.1697;1.6024,4.1237,1.8856;-1.0344,-3.1057,-3.7291;-1.6837,-2.5415,-2.2057;2.6815,-4.6622,-1.3265;3.0483,-3.195,-2.2333;-2.418,-1.0536,-4.0578;-1.3552,-.1491,-2.9827;-.7464,-.7537,-4.5157;2.3504,-1.7407,1.9279;4.09,-1.8307,1.6881; 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 3099.9267886958 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 7.463e-06 Time for diagonalization 0.532 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.265 sec Total time needed 0.804 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:4.0619,2.7059,2.1191;-.8315,3.5075,1.2925;-1.6731,-.7647,2.2026;-1.6332,2.1594,-1.2789;3.3564,.0213,1.4644;2.5476,-2.9893,-.2151;3.278,-1.0387,-1.0643;-1.3311,.8734,.6114;-5.1458,-1.5684,-.6204;-5.5343,-.2107,-1.204;-4.2846,-1.4235,.6353;-4.3106,.6016,-1.6337;-3.2454,-.3911,.4002;-3.2502,.4869,-.6035;-2.026,-.1742,1.2162;-2.0152,1.3055,-.5238;-.0504,1.3122,.9834;1.0079,.4115,1.0217;.1807,2.6371,1.3042;2.282,.8255,1.3802;.4346,-2.2227,-2.4278;1.4428,3.0817,1.6414;.9337,-3.5835,-1.9577;2.484,2.1748,1.6827;-.9761,-2.2896,-3.0021;2.3744,-3.6301,-1.4936;-1.3986,-.9923,-3.6734;3.1755,-1.3619,1.3164;3.0029,-1.7545,-.1382;-6.0413,-2.1452,-.385;-4.5929,-2.1415,-1.3709;-6.1984,-.3469,-2.0586;-6.0986,.3546,-.4569;-4.8974,-1.1352,1.4957;-3.8195,-2.3755,.9026;-3.9214,.242,-2.5915;-4.5735,1.6503,-1.7923;.8001,-.6174,.7618;1.1176,-1.8347,-3.1906;.4463,-1.4986,-1.6071;.8629,-4.2927,-2.7886;.2852,-3.9788,-1.1697;1.6024,4.1237,1.8856;-1.0344,-3.1057,-3.7291;-1.6837,-2.5415,-2.2057;2.6815,-4.6622,-1.3265;3.0483,-3.195,-2.2333;-2.418,-1.0536,-4.0578;-1.3552,-.1491,-2.9827;-.7464,-.7537,-4.5157;2.3504,-1.7407,1.9279;4.09,-1.8307,1.6881; 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:4.0619,2.7059,2.1191;-.8315,3.5075,1.2925;-1.6731,-.7647,2.2026;-1.6332,2.1594,-1.2789;3.3564,.0213,1.4644;2.5476,-2.9893,-.2151;3.278,-1.0387,-1.0643;-1.3311,.8734,.6114;-5.1458,-1.5684,-.6204;-5.5343,-.2107,-1.204;-4.2846,-1.4235,.6353;-4.3106,.6016,-1.6337;-3.2454,-.3911,.4002;-3.2502,.4869,-.6035;-2.026,-.1742,1.2162;-2.0152,1.3055,-.5238;-.0504,1.3122,.9834;1.0079,.4115,1.0217;.1807,2.6371,1.3042;2.282,.8255,1.3802;.4346,-2.2227,-2.4278;1.4428,3.0817,1.6414;.9337,-3.5835,-1.9577;2.484,2.1748,1.6827;-.9761,-2.2896,-3.0021;2.3744,-3.6301,-1.4936;-1.3986,-.9923,-3.6734;3.1755,-1.3619,1.3164;3.0029,-1.7545,-.1382;-6.0413,-2.1452,-.385;-4.5929,-2.1415,-1.3709;-6.1984,-.3469,-2.0586;-6.0986,.3546,-.4569;-4.8974,-1.1352,1.4957;-3.8195,-2.3755,.9026;-3.9214,.242,-2.5915;-4.5735,1.6503,-1.7923;.8001,-.6174,.7618;1.1176,-1.8347,-3.1906;.4463,-1.4986,-1.6071;.8629,-4.2927,-2.7886;.2852,-3.9788,-1.1697;1.6024,4.1237,1.8856;-1.0344,-3.1057,-3.7291;-1.6837,-2.5415,-2.2057;2.6815,-4.6622,-1.3265;3.0483,-3.195,-2.2333;-2.418,-1.0536,-4.0578;-1.3552,-.1491,-2.9827;-.7464,-.7537,-4.5157;2.3504,-1.7407,1.9279;4.09,-1.8307,1.6881; 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 3048 GEPOL Volume 2822.1590 GEPOL Surface-area 1599.3550 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.9s -1805.21617839 3099.92678870 -4905.14296709 -8637.90096104 3732.75799395 -0.04011913 -3604.16574992 1798.94957152 2.00348348 111.000130176072 111.000130176072 222.000260352144 -147.726591949740 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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3.4715 3.7416 3.8342 3.8830 4.1008 4.2239 4.3471 4.4282 4.6173 4.6863 4.7769 4.8426 4.9671 5.0933 5.2598 5.3690 5.4565 5.4855 5.6923 5.7958 5.8607 5.9959 6.0058 6.1031 6.1513 6.3162 6.3958 6.4851 6.6562 6.8766 6.8981 7.0028 7.1681 7.2366 7.3076 7.4305 7.5901 7.6651 7.7555 7.8604 7.9348 8.0148 8.1470 8.2743 8.3022 8.4372 8.4597 8.6489 8.7234 8.8629 8.9206 9.1036 9.2036 9.3167 9.3959 9.5358 9.5906 9.6441 9.7617 9.8034 9.9200 9.9837 10.1910 10.3315 10.4356 10.4831 10.6400 10.7941 10.8213 10.9780 11.0046 11.2699 11.4341 11.4474 11.4785 11.5681 11.6467 11.8510 11.9040 11.9874 12.0533 12.1460 12.2130 12.4277 12.5392 12.5696 12.7226 12.7309 12.9241 13.0219 13.0670 13.1187 13.2731 13.3184 13.3966 13.4596 13.4800 13.6452 13.7502 13.8028 13.8805 13.9558 13.9915 14.0749 14.1246 14.2473 14.3467 14.4173 14.4342 14.5136 14.6167 14.7490 14.8005 14.8085 14.9019 14.9675 15.0180 15.1648 15.2090 15.2993 15.3545 15.4782 15.5417 15.5862 15.7220 15.7580 15.8386 16.0252 16.0343 16.2057 16.3113 16.3865 16.5171 16.5545 16.7243 16.8266 16.9780 17.1751 17.3217 17.4830 17.5235 17.6606 17.7384 17.9863 18.0725 18.2093 18.2949 18.4664 18.6463 18.7243 18.9371 18.9657 19.0468 19.2742 19.2997 19.4428 19.5442 19.7165 19.8900 20.0721 20.2526 20.4247 20.4563 20.7560 20.7670 20.9291 20.9996 21.1149 21.4462 21.5746 21.6685 21.7497 21.8838 22.0357 22.0810 22.2330 22.2829 22.5069 22.5564 22.7615 22.8630 23.0142 23.1733 23.1938 23.2527 23.3332 23.3567 23.4842 23.6403 23.8107 23.9157 23.9398 24.0665 24.1719 24.3252 24.4610 24.5368 24.7473 24.8568 24.9727 25.1646 25.2076 25.3152 25.4180 25.5846 25.7745 25.8403 26.0554 26.0883 26.3314 26.3951 26.4934 26.5269 26.7623 26.7732 27.0688 27.2414 27.4037 27.4638 27.7011 27.9006 28.0290 28.1532 28.3666 28.5324 28.7015 28.7871 28.8537 28.8861 28.9478 29.3036 29.6111 29.6507 29.7144 29.8073 30.0257 30.1954 30.3329 30.4845 30.5433 30.6353 30.7910 30.9215 30.9794 31.0166 31.2919 31.4639 31.5219 31.6636 31.7397 31.7868 31.9771 32.0159 32.0706 32.2040 32.3245 32.4583 32.5535 32.7567 32.8717 32.9622 33.1055 33.2900 33.3207 33.4445 33.6821 33.7992 33.9525 34.0527 34.0872 34.2050 34.3936 34.6066 34.6582 34.8547 34.9406 34.9921 35.1921 35.2872 35.3241 35.6657 35.7916 35.8805 35.9575 36.1253 36.1747 36.2430 36.4681 36.7137 36.7875 36.8167 36.9722 37.1192 37.3254 37.4434 37.5562 37.7877 37.8502 37.9555 38.1385 38.1998 38.2457 38.4707 38.5641 38.5924 38.8715 38.9648 39.0534 39.3395 39.4098 39.6713 39.7886 40.0098 40.0462 40.3112 40.5484 40.6715 40.7712 40.9936 41.1116 41.2646 41.3246 41.5825 41.6436 41.7251 42.0326 42.0387 42.1941 42.2660 42.3806 42.4635 42.5685 42.6848 42.8128 42.9577 43.0326 43.3180 43.3971 43.4753 43.6002 43.6301 43.7231 43.9495 44.0654 44.1761 44.3371 44.5071 44.5325 44.5970 44.6645 44.9244 45.0256 45.1707 45.3281 45.3866 45.6274 45.7397 45.8653 45.9643 46.1974 46.3166 46.4446 46.6154 46.8604 47.0437 47.1532 47.2947 47.5033 47.6845 47.8143 47.8587 47.9675 48.1417 48.3512 48.3693 48.4223 48.5554 48.8712 49.0695 49.2731 49.3992 49.6001 49.7488 49.9453 50.0960 50.2286 50.3014 50.7214 50.8935 51.0797 51.1178 51.2733 51.6547 51.7607 52.0137 52.0695 52.1293 52.2443 52.5645 52.7420 52.7920 53.0876 53.3300 53.5155 53.8522 53.9294 54.1335 54.2769 54.6467 54.8867 55.1314 55.4825 55.5959 55.7159 56.0131 56.3068 56.5059 56.7288 56.9161 57.1286 57.1546 57.3959 57.6488 57.8821 57.9822 58.2819 58.3763 58.7079 58.9623 59.1512 59.2028 59.4228 59.5935 59.7829 59.9151 60.1301 60.1458 60.4239 60.7040 60.7511 61.0207 61.1080 61.2638 61.3532 61.6795 61.9102 61.9470 62.1040 62.3575 62.5002 62.8325 63.0750 63.1264 63.2411 63.3060 63.4153 63.5601 64.0174 64.1199 64.2842 64.4819 64.5909 64.6849 64.8832 64.9551 65.3048 65.4400 65.5087 65.6354 66.1579 66.2830 66.4885 66.8152 66.8565 67.1640 67.4490 67.7629 68.0731 68.2825 68.4459 68.6140 68.9054 69.0011 69.2785 69.4582 69.9772 70.1359 70.1453 70.5340 70.7609 70.8871 71.2463 71.4660 71.7003 71.9302 72.0706 72.4228 72.4630 72.6296 72.8692 73.0714 73.3285 73.4931 73.6389 73.8080 74.0102 74.2598 74.4982 74.6205 74.8088 75.0393 75.1500 75.2325 75.4467 75.6090 75.8066 75.9030 75.9976 76.0866 76.3562 76.4412 76.5847 76.8594 77.0595 77.1728 77.3442 77.4758 77.5187 77.9028 77.9614 78.1277 78.4833 78.5149 78.6878 78.8641 78.9576 79.1150 79.1186 79.3714 79.5689 79.7297 79.8404 79.9543 80.1024 80.2308 80.3992 80.6123 80.7214 80.8027 80.9913 81.0984 81.2903 81.3856 81.5389 81.6514 81.8265 81.9627 82.0490 82.1712 82.2614 82.3940 82.5385 82.6284 82.8156 82.8879 83.0433 83.2011 83.2883 83.4604 83.6006 83.7717 84.0385 84.2375 84.3546 84.4252 84.4849 84.6441 84.7812 84.9200 85.0390 85.1572 85.3198 85.3664 85.5267 85.6928 85.8683 85.9179 86.0325 86.0790 86.2321 86.2857 86.3461 86.5854 86.7616 86.7959 86.9262 87.1347 87.2210 87.3703 87.4901 87.6775 87.7497 88.0081 88.0856 88.1954 88.2729 88.3956 88.5561 88.6207 88.6762 88.7298 88.8209 89.0006 89.0478 89.1533 89.2446 89.3561 89.4508 89.4991 89.6085 89.6378 89.8119 89.9225 90.0614 90.2616 90.3061 90.5090 90.6267 90.6566 90.8574 90.9350 91.0050 91.1263 91.2064 91.3766 91.4135 91.5068 91.6195 91.7600 92.0271 92.1112 92.3276 92.4271 92.5533 92.7392 92.8032 92.8934 93.0680 93.2078 93.3345 93.4265 93.6043 93.8183 93.9420 94.1316 94.1840 94.4582 94.5521 94.6413 94.7646 94.8991 94.9850 95.0292 95.1282 95.2845 95.5058 95.6179 95.6839 95.8363 95.9585 96.1172 96.2142 96.2537 96.3960 96.6810 96.8342 96.9652 97.2877 97.3421 97.4731 97.5825 97.6565 97.8681 97.9856 98.1820 98.3898 98.5096 98.7140 98.9252 99.1081 99.3451 99.5133 99.6874 99.8559 100.0332 100.0853 100.2108 100.2560 100.3879 100.6135 100.6958 100.7501 100.8712 101.1611 101.1773 101.2358 101.6689 101.7224 101.7673 102.1841 102.3862 102.5100 102.6420 102.7089 102.8604 102.9584 103.0956 103.2065 103.4139 103.4515 103.9254 104.0301 104.1388 104.1935 104.2248 104.4167 104.6238 104.8645 104.9566 105.1102 105.2089 105.3567 105.5048 105.7612 105.9826 106.1090 106.2040 106.5604 106.8368 107.0042 107.0692 107.2348 107.4275 107.5552 107.7380 107.8381 108.0076 108.1990 108.3794 108.4753 108.5863 108.8422 109.0428 109.2273 109.3651 109.4551 109.6121 109.7592 109.9315 110.0066 110.2185 110.3194 110.6184 110.7446 110.8343 110.9455 111.1646 111.3092 111.3635 111.6638 111.8265 111.8580 112.0167 112.3259 112.4006 112.5454 112.6603 112.7721 113.1519 113.2092 113.3169 113.4196 113.5817 113.8448 113.9312 113.9931 114.0590 114.2771 114.4991 114.5629 114.6511 114.7567 115.0595 115.1126 115.2011 115.3314 115.4669 115.6079 115.7007 115.7764 115.9730 116.0172 116.0793 116.2918 116.3647 116.5450 116.6066 116.9972 117.2135 117.3405 117.5746 117.6987 117.8917 117.9607 118.0737 118.2285 118.3712 118.3952 118.6170 118.7944 119.0269 119.0817 119.2652 119.3571 119.6975 119.8022 120.0549 120.1193 120.2979 120.3319 120.4841 120.6141 120.7022 120.8970 120.9916 121.2411 121.3467 121.5467 121.8331 121.9409 122.2572 122.4575 122.5317 122.7526 122.8103 123.2320 123.2823 123.6898 123.9442 124.2033 124.3508 124.5413 124.8353 124.9576 125.0651 125.4443 125.6890 125.8340 126.2009 126.4769 126.4861 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