Orca 5.0.2 RELEASE 1 2 3 4 5 17s13p8d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 6s5p4d1f 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 52 Br F F O O O C C C 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 2 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:1.5409,-3.5612,-.6896;1.3967,-5.5691,1.0946;1.4794,-3.6227,1.9887;-2.3135,.7253,-1.7304;-.4052,-4.4097,1.0995;1.9192,4.1387,.6131;-3.8903,-.0489,-.096;-3.0281,1.1192,-.5792;-2.9712,-1.2228,.2215;-4.9364,-.3877,-1.1578;-4.6294,.4041,1.1682;-3.0091,-2.4195,-.488;-2.0246,-1.1103,1.2421;-1.3301,1.6504,-2.1306;-2.1379,-3.4617,-.2008;-1.1508,-2.1399,1.5522;-1.2139,-3.31,.8139;-.1555,1.6973,-1.186;.3309,2.9194,-.7422;.4432,.5174,-.7483;1.4264,2.9609,.1131;1.5184,.5707,.1234;2.0242,1.7903,.5531;.9253,-4.3326,.9982;1.9198,5.2665,-.1715;2.3531,5.2413,-1.4915;1.5253,6.4558,.4235;2.3782,6.4234,-2.2172;1.5664,7.6329,-.3114;1.9862,7.6218,-1.6341;-3.6698,1.983,-.8033;-2.3448,1.4287,.2218;-5.591,-1.1959,-.8283;-5.5642,.4861,-1.3397;-4.5018,-.6807,-2.113;-5.2606,-.3974,1.5537;-5.2737,1.2568,.9465;-3.9505,.7072,1.9656;-3.7221,-2.5637,-1.2875;-1.9519,-.1986,1.821;-.9944,1.3285,-3.1193;-1.7542,2.6559,-2.2475;-2.1844,-4.3837,-.7656;-.4507,-2.0167,2.3667;-.1555,3.8343,-1.0605;.0674,-.4417,-1.0827;1.9805,-.3445,.47;2.87,1.8323,1.2273;2.6707,4.3145,-1.9526;1.1933,6.4603,1.4539;2.7128,6.405,-3.2461;1.2607,8.5605,.1547;2.011,8.5394,-2.2064; 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 1732 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 244 Dim 1269 ENuc 3439.2639984136 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 5.637e-06 Time for diagonalization 0.401 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.364 sec Total time needed 0.773 sec 35 9 9 8 8 8 6 6 6 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 1 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:1.5409,-3.5612,-.6896;1.3967,-5.5691,1.0946;1.4794,-3.6227,1.9887;-2.3135,.7253,-1.7304;-.4052,-4.4097,1.0995;1.9192,4.1387,.6131;-3.8903,-.0489,-.096;-3.0281,1.1192,-.5792;-2.9712,-1.2228,.2215;-4.9364,-.3877,-1.1578;-4.6294,.4041,1.1682;-3.0091,-2.4195,-.488;-2.0246,-1.1103,1.2421;-1.3301,1.6504,-2.1306;-2.1379,-3.4617,-.2008;-1.1508,-2.1399,1.5522;-1.2139,-3.31,.8139;-.1555,1.6973,-1.186;.3309,2.9194,-.7422;.4432,.5174,-.7483;1.4264,2.9609,.1131;1.5184,.5707,.1234;2.0242,1.7903,.5531;.9253,-4.3326,.9982;1.9198,5.2665,-.1715;2.3531,5.2413,-1.4915;1.5253,6.4558,.4235;2.3782,6.4234,-2.2172;1.5664,7.6329,-.3114;1.9862,7.6218,-1.6341;-3.6698,1.983,-.8033;-2.3448,1.4287,.2218;-5.591,-1.1959,-.8283;-5.5642,.4861,-1.3397;-4.5018,-.6807,-2.113;-5.2606,-.3974,1.5537;-5.2737,1.2568,.9465;-3.9505,.7072,1.9656;-3.7221,-2.5637,-1.2875;-1.9519,-.1986,1.821;-.9944,1.3285,-3.1193;-1.7542,2.6559,-2.2475;-2.1844,-4.3837,-.7656;-.4507,-2.0167,2.3667;-.1555,3.8343,-1.0605;.0674,-.4417,-1.0827;1.9805,-.3445,.47;2.87,1.8323,1.2273;2.6707,4.3145,-1.9526;1.1933,6.4603,1.4539;2.7128,6.405,-3.2461;1.2607,8.5605,.1547;2.011,8.5394,-2.2064; 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 "WATER" 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:1.5409,-3.5612,-.6896;1.3967,-5.5691,1.0946;1.4794,-3.6227,1.9887;-2.3135,.7253,-1.7304;-.4052,-4.4097,1.0995;1.9192,4.1387,.6131;-3.8903,-.0489,-.096;-3.0281,1.1192,-.5792;-2.9712,-1.2228,.2215;-4.9364,-.3877,-1.1578;-4.6294,.4041,1.1682;-3.0091,-2.4195,-.488;-2.0246,-1.1103,1.2421;-1.3301,1.6504,-2.1306;-2.1379,-3.4617,-.2008;-1.1508,-2.1399,1.5522;-1.2139,-3.31,.8139;-.1555,1.6973,-1.186;.3309,2.9194,-.7422;.4432,.5174,-.7483;1.4264,2.9609,.1131;1.5184,.5707,.1234;2.0242,1.7903,.5531;.9253,-4.3326,.9982;1.9198,5.2665,-.1715;2.3531,5.2413,-1.4915;1.5253,6.4558,.4235;2.3782,6.4234,-2.2172;1.5664,7.6329,-.3114;1.9862,7.6218,-1.6341;-3.6698,1.983,-.8033;-2.3448,1.4287,.2218;-5.591,-1.1959,-.8283;-5.5642,.4861,-1.3397;-4.5018,-.6807,-2.113;-5.2606,-.3974,1.5537;-5.2737,1.2568,.9465;-3.9505,.7072,1.9656;-3.7221,-2.5637,-1.2875;-1.9519,-.1986,1.821;-.9944,1.3285,-3.1193;-1.7542,2.6559,-2.2475;-2.1844,-4.3837,-.7656;-.4507,-2.0167,2.3667;-.1555,3.8343,-1.0605;.0674,-.4417,-1.0827;1.9805,-.3445,.47;2.87,1.8323,1.2273;2.6707,4.3145,-1.9526;1.1933,6.4603,1.4539;2.7128,6.405,-3.2461;1.2607,8.5605,.1547;2.011,8.5394,-2.2064; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Br F O C H 3.0600 1.7300 1.5200 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2966 GEPOL Volume 3212.2379 GEPOL Surface-area 1647.5175 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -3928.10048088 3439.26399841 -7367.36447929 -12275.65874151 4908.29426222 -0.02637107 -7846.86856288 3918.76808200 2.00238146 122.000257732237 122.000257732237 244.000515464473 -198.377490089807 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 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 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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-19.7615 -19.2554 -19.2440 -18.8418 -18.6177 -18.3245 -18.0769 -17.7118 -16.8094 -16.5785 -16.3771 -16.0704 -16.0118 -15.9122 -15.8539 -15.7395 -15.6682 -15.5202 -15.2867 -15.0294 -14.9790 -14.7648 -14.7011 -14.5156 -14.2777 -14.2594 -14.1126 -13.9184 -13.7617 -13.5719 -13.4997 -13.3247 -13.1549 -13.0225 -12.8197 -12.7492 -12.6187 -12.4429 -12.3685 -12.3405 -12.0177 -11.8707 -11.6987 -11.6310 -11.4983 -11.3752 -11.0152 -10.9825 -10.9088 -9.8631 -9.6477 -9.5088 -9.3348 -9.2063 -9.0562 -8.4102 1.2016 1.3327 1.3783 1.5939 1.8194 1.9722 2.0917 3.3027 3.6700 3.8050 3.9564 4.0651 4.2171 4.3240 4.5326 4.6795 4.7505 4.7969 4.9683 4.9952 5.0835 5.1584 5.2527 5.3659 5.4914 5.5685 5.6272 5.7343 5.8228 5.9397 6.0184 6.0524 6.2219 6.2755 6.3303 6.4792 6.6192 6.7067 6.8764 6.9210 7.0336 7.0757 7.0959 7.3094 7.3527 7.4885 7.5619 7.7147 7.7928 7.9116 7.9952 8.0193 8.0879 8.1633 8.2787 8.3089 8.3722 8.5610 8.5909 8.6773 8.8295 8.8782 8.9523 9.0391 9.0997 9.2713 9.3326 9.4868 9.5364 9.6001 9.7388 9.8646 9.9926 10.1230 10.1496 10.2388 10.4139 10.5002 10.5742 10.7069 10.7975 10.9105 11.0327 11.1580 11.2025 11.2419 11.2448 11.4384 11.5714 11.5922 11.6692 11.7277 11.7879 11.8437 11.9921 12.1592 12.2403 12.3614 12.5172 12.5828 12.6811 12.7755 12.8478 12.8721 12.9029 13.0147 13.0711 13.2320 13.3223 13.3847 13.4312 13.5102 13.6170 13.6883 13.7510 13.8559 13.9153 14.0085 14.0986 14.1392 14.1813 14.3157 14.3844 14.4444 14.6799 14.7889 14.8591 14.8966 14.9570 15.0134 15.0429 15.1608 15.3089 15.3699 15.4465 15.5331 15.5535 15.7176 15.8296 15.9356 15.9597 16.0108 16.1116 16.1825 16.3305 16.4234 16.5593 16.6858 16.7469 16.8623 16.9350 16.9652 17.2795 17.4248 17.5051 17.6344 17.7305 17.8732 18.1338 18.2903 18.3917 18.4480 18.6249 18.7441 18.8937 19.0700 19.2416 19.3880 19.5066 19.6224 19.7708 19.9763 20.0626 20.1186 20.2316 20.3559 20.4696 20.5202 20.5946 20.8153 20.8748 20.9534 21.0178 21.1151 21.2551 21.3049 21.4526 21.4965 21.6263 21.7429 21.7681 21.8868 22.0374 22.2577 22.2939 22.3529 22.5587 22.5914 22.8969 22.9948 23.0849 23.2004 23.2296 23.3909 23.5655 23.7006 23.8208 23.8959 24.0552 24.2137 24.3450 24.3763 24.4403 24.5393 24.7565 24.9747 25.0148 25.0544 25.2811 25.3099 25.4331 25.5636 25.6481 25.8258 25.8278 25.8689 26.1122 26.2012 26.2690 26.4181 26.5387 26.5869 26.7606 26.8761 27.1899 27.4550 27.4854 27.6300 27.6883 27.8721 27.9337 28.0240 28.1982 28.3843 28.6612 28.7421 28.7925 28.8963 29.0366 29.1307 29.2117 29.3703 29.4868 29.6874 29.8098 29.8988 29.9639 30.0433 30.1746 30.2406 30.3395 30.3964 30.5839 30.7097 30.8203 30.9639 31.1290 31.1822 31.3478 31.4841 31.5686 31.6951 31.7326 31.8375 32.1980 32.2610 32.4667 32.4967 32.6679 32.8718 32.9725 33.0042 33.2262 33.3502 33.4969 33.6704 33.7261 33.8851 34.0364 34.2286 34.3947 34.4845 34.5490 34.8290 34.9628 35.1363 35.1735 35.3931 35.4749 35.5911 35.6834 35.7287 35.8006 36.0425 36.2239 36.2944 36.3264 36.3823 36.6384 36.7923 37.0673 37.1467 37.2398 37.4486 37.5438 37.6550 37.6640 37.8998 38.0758 38.1094 38.1864 38.3571 38.6164 38.6557 38.7599 38.8180 38.9733 39.0466 39.1595 39.1964 39.3439 39.4019 39.4730 39.6593 39.7232 39.8902 40.0956 40.2320 40.2943 40.3763 40.5736 40.5873 40.8284 40.8490 40.9850 41.0782 41.3257 41.3950 41.5058 41.5719 41.6568 41.8201 42.0337 42.0952 42.2215 42.2741 42.3108 42.4724 42.6807 42.8325 43.0074 43.1672 43.2614 43.3812 43.4706 43.6011 43.6796 43.8838 43.9328 44.0523 44.1335 44.2704 44.3817 44.5788 44.6093 44.6928 44.7798 44.9223 44.9496 45.0096 45.1955 45.3172 45.4708 45.5452 45.7633 45.9025 46.0381 46.1628 46.3758 46.4210 46.4663 46.7070 46.8739 46.9894 47.1303 47.2332 47.2999 47.3487 47.4659 47.6267 47.9295 47.9839 48.0451 48.2020 48.2927 48.4441 48.5516 48.6566 48.8174 48.9230 49.0578 49.2114 49.3126 49.5489 49.8465 49.9122 49.9803 50.0848 50.3325 50.6017 50.6970 50.8262 50.9099 50.9891 51.3244 51.4766 51.6190 51.7347 51.7766 52.0452 52.3388 52.5454 52.8197 52.9505 52.9903 53.2367 53.3761 53.6305 53.7933 53.9295 54.1550 54.4307 54.6036 54.6478 54.9035 55.1083 55.3015 55.5133 55.9426 56.0123 56.2826 56.3183 56.4169 56.6674 56.8444 57.1355 57.1809 57.2953 57.4811 57.5984 57.6428 57.9083 58.1218 58.4356 58.6742 58.7442 59.1718 59.2731 59.3936 59.7584 59.9411 60.0418 60.3438 60.4474 60.8753 61.1672 61.3514 61.5421 61.6997 62.1309 62.2765 62.4902 62.7093 63.0857 63.5318 63.5840 63.7606 63.8553 64.0146 64.1947 64.2728 64.5337 64.7805 64.7871 65.1476 65.2323 65.4913 65.6491 65.6913 65.7284 66.1139 66.4051 66.6078 66.6421 66.8196 67.0506 67.1398 67.4144 67.5013 67.8020 67.8826 68.1824 68.4917 68.5590 68.6925 68.9971 69.0380 69.1459 69.3997 69.7814 69.9089 70.3702 70.8804 71.1814 71.4930 71.6241 72.0165 72.2515 72.5285 73.0057 73.2153 73.5027 73.7619 74.0441 74.2797 74.3205 74.4744 74.6816 74.8408 75.0856 75.2012 75.3720 75.5561 75.7972 75.9358 76.1864 76.3858 76.5016 76.6414 76.8213 76.9017 77.0065 77.2905 77.3937 77.4441 77.5482 77.7860 77.8844 77.9271 78.0766 78.1911 78.3725 78.5298 78.6409 78.6941 78.8657 78.9060 79.0762 79.1303 79.2706 79.4284 79.5798 79.7036 79.7493 79.9646 80.0629 80.1177 80.2880 80.5032 80.7144 80.9193 80.9587 81.1734 81.3838 81.5987 81.6887 81.7998 82.1236 82.2024 82.3116 82.3865 82.5208 82.6747 82.7621 82.9988 83.0963 83.1954 83.3567 83.5269 83.7173 83.9206 84.0445 84.1661 84.3057 84.4363 84.4768 84.6561 84.7203 84.8636 85.0052 85.0464 85.2456 85.3008 85.3780 85.4095 85.4785 85.5976 85.6487 85.7604 85.8706 85.9459 85.9995 86.2010 86.2782 86.4375 86.5509 86.6522 86.7093 86.8190 86.8447 86.9457 87.0318 87.1343 87.2531 87.4970 87.7406 87.7986 87.8559 88.0237 88.0652 88.2469 88.3836 88.4223 88.5580 88.6063 88.8337 88.8971 88.9948 89.0638 89.1441 89.2868 89.3616 89.5170 89.5790 89.6107 89.7873 89.9987 90.0104 90.1751 90.3517 90.4168 90.5079 90.6417 90.8394 91.2049 91.2560 91.3709 91.5799 91.8564 91.8649 91.9295 92.2123 92.3435 92.5364 92.5401 92.5798 92.8328 92.8734 92.9241 93.0276 93.2036 93.2274 93.3334 93.4147 93.6347 93.6785 93.7803 93.8853 94.1073 94.1381 94.1790 94.2862 94.3149 94.4579 94.6033 94.6392 94.9343 95.0615 95.1193 95.1537 95.2423 95.3238 95.5089 95.5459 95.8208 95.8957 95.9797 96.3066 96.3976 96.5502 96.6379 96.6683 96.8984 97.0556 97.1261 97.2960 97.3458 97.4411 97.5878 97.6128 97.7981 97.9802 98.0578 98.1026 98.2394 98.4549 98.5650 98.6630 98.7733 98.9356 99.0838 99.3323 99.4153 99.6339 99.8635 99.9706 100.0773 100.1410 100.2966 100.4140 100.6215 100.7987 100.8822 101.0238 101.2702 101.4212 101.6041 101.7908 102.0924 102.2542 102.4342 102.5271 102.6866 102.8186 102.9036 103.0652 103.3416 103.5762 103.6110 103.9577 104.1116 104.3547 104.3813 104.5757 104.7642 104.8421 104.9413 105.2313 105.2894 105.3801 105.3981 105.5448 105.6122 105.6993 105.7550 105.8318 105.9636 105.9964 106.0320 106.1404 106.3540 106.4289 106.4514 106.6382 106.8269 106.8827 107.0183 107.1642 107.1964 107.3819 107.4218 107.5941 107.7101 107.7833 107.9999 108.0831 108.3250 108.4043 108.6107 108.8419 109.0610 109.1466 109.3775 109.4658 109.6627 109.7449 109.8237 109.9058 110.1033 110.1738 110.4812 110.7507 110.9821 111.0240 111.1446 111.3067 111.4573 111.6214 111.8155 112.2670 112.5058 112.5270 112.6799 112.8310 113.2543 113.4586 113.5796 113.6492 113.7706 113.9778 114.2276 114.3234 114.4505 114.4969 114.6960 114.9163 115.0905 115.1365 115.3560 115.4175 115.5963 115.7250 115.8671 115.9337 115.9986 116.1019 116.3895 116.5349 116.7509 116.8318 116.8956 117.1436 117.3160 117.3874 117.6312 117.6746 117.7409 117.8238 118.0230 118.1320 118.3016 118.3888 118.4798 118.5880 118.6723 118.7167 118.8268 118.8610 118.9606 119.0424 119.1471 119.2576 119.3587 119.5090 119.5719 119.6663 119.7530 119.9465 120.1808 120.2044 120.4629 120.5500 120.6575 120.7702 120.9459 121.0052 121.1747 121.4093 121.5847 121.6239 121.7257 121.9898 122.0999 122.2393 122.4078 122.6710 122.8665 123.0821 123.3956 123.5382 123.8654 124.2272 124.4623 124.8152 124.9943 125.2378 125.4383 125.5663 125.9613 126.2324 126.5824 126.7222 126.9330 127.0875 127.5734 127.8394 127.9982 128.5652 128.7463 128.7678 128.9614 129.2383 129.3121 129.5036 129.7785 130.0015 130.1401 130.1721 130.5887 130.6565 130.7925 130.9493 131.2334 131.2782 131.3703 131.6805 131.7852 131.9138 132.0803 132.1701 132.3066 132.4321 132.5414 132.6536 132.8311 132.9047 133.0385 133.1420 133.3359 133.6816 133.9196 134.3063 134.4849 134.6041 134.7436 135.1182 135.1553 135.3728 135.6830 136.0014 136.0786 136.5562 136.8617 137.1394 137.5379 137.6568 137.7167 138.0281 138.2063 138.4923 138.6289 138.6693 138.9220 139.0139 139.3727 139.5906 140.1265 140.2757 140.6798 141.1880 141.3607 141.5973 141.6366 142.0190 143.3062 143.4975 144.0717 144.2110 144.3017 144.3084 144.5507 144.6578 145.0311 145.2709 145.5018 145.9454 146.1134 146.3542 146.7117 146.8726 146.9418 147.1329 147.7235 147.7701 147.8829 148.0768 148.2079 148.3044 148.4792 148.8643 148.9354 149.0564 149.3807 149.5772 149.6418 150.0226 150.3100 150.5560 150.6922 150.8222 151.2705 151.7141 152.2316 152.4874 152.6259 152.8002 153.2549 153.6743 154.1265 154.3441 154.6188 154.7927 155.2951 155.7291 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