Orca 5.0.2 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 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 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 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 H H 1 1 1 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 4 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-.8886,1.5504,.2096;-.9057,.2286,2.0024;-1.7271,-2.9563,-1.8675;-3.4173,2.5501,2.2359;2.1081,.8346,-.0161;1.913,2.1801,.6115;1.1885,.9795,1.1902;1.5743,.581,-1.4034;3.4027,.1047,.2489;2.9657,2.834,1.4256;-.277,.8581,1.1897;3.6774,3.9042,1.0605;3.5277,4.6015,-.2563;4.7102,4.4916,1.9741;-2.298,1.4784,.128;-2.831,.0932,-.1859;-2.9089,2.0538,1.3335;-2.0283,-.786,-.8962;-4.121,-.2776,.1722;-2.4978,-2.058,-1.1881;-4.5919,-1.5367,-.169;-3.7817,-2.4426,-.8346;-.4032,-3.0947,-1.546;.0609,-3.0073,-.2376;.4667,-3.3856,-2.5873;1.4088,-3.2159,.0161;1.8107,-3.5992,-2.3158;2.2893,-3.5125,-1.0161;1.2855,2.8523,.0352;1.6026,.5791,2.1094;1.3246,-.4734,-1.5424;.6988,1.1769,-1.6507;2.3463,.828,-2.1355;3.2822,-.9662,.0792;4.1806,.4615,-.4296;3.766,.2414,1.2666;3.1671,2.3947,2.3986;4.4815,4.616,-.79;2.7927,4.1393,-.9131;3.2402,5.6466,-.1141;5.6968,4.4927,1.503;4.4802,5.5344,2.2091;4.7875,3.9452,2.9142;-2.5539,2.1526,-.6945;-1.0345,-.5007,-1.2158;-4.7653,.4001,.7179;-5.5969,-1.824,.11;-4.1382,-3.4362,-1.0745;-.6115,-2.7836,.5812;.0912,-3.4505,-3.601;1.7687,-3.1487,1.0349;2.4858,-3.8287,-3.1301;3.3384,-3.6761,-.8077; 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 1647 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 200 Dim 1218 ENuc 2590.3260910299 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 5.493e-06 Time for diagonalization 0.678 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.614 sec Total time needed 1.307 sec 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 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 1 1 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-.8886,1.5504,.2096;-.9057,.2286,2.0024;-1.7271,-2.9563,-1.8675;-3.4173,2.5501,2.2359;2.1081,.8346,-.0161;1.913,2.1801,.6115;1.1885,.9795,1.1902;1.5743,.581,-1.4034;3.4027,.1047,.2489;2.9657,2.834,1.4256;-.277,.8581,1.1897;3.6774,3.9042,1.0605;3.5277,4.6015,-.2563;4.7102,4.4916,1.9741;-2.298,1.4784,.128;-2.831,.0932,-.1859;-2.9089,2.0538,1.3335;-2.0283,-.786,-.8962;-4.121,-.2776,.1722;-2.4978,-2.058,-1.1881;-4.5919,-1.5367,-.169;-3.7817,-2.4426,-.8346;-.4032,-3.0947,-1.546;.0609,-3.0073,-.2376;.4667,-3.3856,-2.5873;1.4088,-3.2159,.0161;1.8107,-3.5992,-2.3158;2.2893,-3.5125,-1.0161;1.2855,2.8523,.0352;1.6026,.5791,2.1094;1.3246,-.4734,-1.5424;.6988,1.1769,-1.6507;2.3463,.828,-2.1355;3.2822,-.9662,.0792;4.1806,.4615,-.4296;3.766,.2414,1.2666;3.1671,2.3947,2.3986;4.4815,4.616,-.79;2.7927,4.1393,-.9131;3.2402,5.6466,-.1141;5.6968,4.4927,1.503;4.4802,5.5344,2.2091;4.7875,3.9452,2.9142;-2.5539,2.1526,-.6945;-1.0345,-.5007,-1.2158;-4.7653,.4001,.7179;-5.5969,-1.824,.11;-4.1382,-3.4362,-1.0745;-.6115,-2.7836,.5812;.0912,-3.4505,-3.601;1.7687,-3.1487,1.0349;2.4858,-3.8287,-3.1301;3.3384,-3.6761,-.8077; 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" 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-.8886,1.5504,.2096;-.9057,.2286,2.0024;-1.7271,-2.9563,-1.8675;-3.4173,2.5501,2.2359;2.1081,.8346,-.0161;1.913,2.1801,.6115;1.1885,.9795,1.1902;1.5743,.581,-1.4034;3.4027,.1047,.2489;2.9657,2.834,1.4256;-.277,.8581,1.1897;3.6774,3.9042,1.0605;3.5277,4.6015,-.2563;4.7102,4.4916,1.9741;-2.298,1.4784,.128;-2.831,.0932,-.1859;-2.9089,2.0538,1.3335;-2.0283,-.786,-.8962;-4.121,-.2776,.1722;-2.4978,-2.058,-1.1881;-4.5919,-1.5367,-.169;-3.7817,-2.4426,-.8346;-.4032,-3.0947,-1.546;.0609,-3.0073,-.2376;.4667,-3.3856,-2.5873;1.4088,-3.2159,.0161;1.8107,-3.5992,-2.3158;2.2893,-3.5125,-1.0161;1.2855,2.8523,.0352;1.6026,.5791,2.1094;1.3246,-.4734,-1.5424;.6988,1.1769,-1.6507;2.3463,.828,-2.1355;3.2822,-.9662,.0792;4.1806,.4615,-.4296;3.766,.2414,1.2666;3.1671,2.3947,2.3986;4.4815,4.616,-.79;2.7927,4.1393,-.9131;3.2402,5.6466,-.1141;5.6968,4.4927,1.503;4.4802,5.5344,2.2091;4.7875,3.9452,2.9142;-2.5539,2.1526,-.6945;-1.0345,-.5007,-1.2158;-4.7653,.4001,.7179;-5.5969,-1.824,.11;-4.1382,-3.4362,-1.0745;-.6115,-2.7836,.5812;.0912,-3.4505,-3.601;1.7687,-3.1487,1.0349;2.4858,-3.8287,-3.1301;3.3384,-3.6761,-.8077; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 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 3113 GEPOL Volume 2691.6543 GEPOL Surface-area 1529.9526 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 1.0s -1210.10186035 2590.32609103 -3800.42795138 -6791.77168177 2991.34373038 -0.03287067 -2414.81528742 1204.71342707 2.00447279 100.000167410234 100.000167410234 200.000334820468 -118.591701550271 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 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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7.5597 7.6697 7.7076 7.8366 7.9120 8.0083 8.1212 8.1510 8.2458 8.3690 8.4305 8.5948 8.7421 8.8282 8.9410 9.0230 9.0962 9.1760 9.2360 9.3550 9.4163 9.5544 9.7355 9.8754 9.9266 10.0531 10.2013 10.2925 10.3963 10.5541 10.6855 10.8605 10.9584 11.0661 11.0756 11.2346 11.3072 11.4425 11.4946 11.6028 11.6580 11.7454 11.7851 11.8432 12.0013 12.0953 12.2013 12.2485 12.3994 12.6416 12.8041 12.8107 12.9129 12.9569 13.0520 13.0937 13.1893 13.2774 13.3290 13.4447 13.4800 13.5295 13.7446 13.8030 13.9288 13.9703 14.1006 14.1727 14.2915 14.3721 14.4016 14.5582 14.6978 14.7024 14.7704 14.8890 14.9756 14.9826 15.0978 15.1452 15.1624 15.3019 15.3718 15.4510 15.5426 15.5865 15.6366 15.7201 15.8021 15.9174 16.0936 16.1608 16.1903 16.2737 16.3564 16.4099 16.4890 16.6049 16.6700 16.8135 16.9362 17.0935 17.1156 17.1575 17.4046 17.4526 17.5360 17.6194 17.7348 17.9152 18.0992 18.1255 18.3681 18.4640 18.7381 18.7960 18.8952 19.0444 19.2403 19.2981 19.5521 19.7700 19.8398 19.9163 20.0193 20.1335 20.1986 20.2380 20.2968 20.3742 20.7443 20.8228 20.8900 20.9959 21.0750 21.2672 21.4065 21.5279 21.6688 21.7099 21.8084 22.0379 22.0726 22.2026 22.2505 22.5430 22.6618 22.8024 22.9318 23.1626 23.3067 23.5288 23.6661 23.8114 23.9277 24.0404 24.0681 24.2301 24.3141 24.3623 24.6397 24.7078 24.7912 24.9935 25.0438 25.1536 25.2713 25.4122 25.6014 25.6603 25.8796 25.9800 26.3249 26.5181 26.6544 26.7493 26.8636 26.9283 27.0206 27.0607 27.2827 27.3741 27.5787 27.6047 27.8144 27.9688 28.0044 28.1406 28.4181 28.4733 28.6288 28.7092 28.8363 28.9005 28.9083 29.0135 29.1498 29.2627 29.4881 29.5576 29.8028 29.9549 30.0638 30.1763 30.2831 30.3772 30.4247 30.6916 30.8587 30.9977 31.0371 31.1206 31.1997 31.2999 31.6178 31.6724 31.7605 31.8350 32.0003 32.0950 32.2684 32.4893 32.5171 32.6489 32.7489 32.8025 33.0196 33.0963 33.2210 33.2863 33.4471 33.5555 33.5881 33.8144 34.0642 34.2247 34.3219 34.3912 34.5002 34.8179 34.8557 35.0433 35.2299 35.2908 35.3749 35.5906 35.6839 35.7896 35.9496 36.1330 36.2060 36.2818 36.5047 36.6102 36.6933 36.7570 36.8072 37.0530 37.2269 37.3897 37.4565 37.5950 37.7463 37.7726 37.9037 38.0585 38.0624 38.1337 38.2920 38.4002 38.5583 38.6035 38.7662 38.8584 39.0882 39.1255 39.2254 39.3306 39.4549 39.5617 39.6252 39.7546 39.8645 40.0321 40.0889 40.2656 40.3284 40.4419 40.5061 40.7377 40.9199 41.0555 41.1615 41.2205 41.3226 41.5218 41.6057 41.6590 41.9511 41.9655 42.1383 42.3121 42.4676 42.5640 42.6047 42.6993 42.9202 42.9570 43.0293 43.1609 43.2230 43.2492 43.4209 43.4870 43.7144 43.7769 44.0252 44.1238 44.2545 44.3693 44.4546 44.5345 44.7732 44.9235 45.0127 45.1775 45.2715 45.3811 45.4740 45.6597 45.8459 45.9296 46.0988 46.2222 46.3893 46.4931 46.5384 46.7833 46.8862 46.9372 47.2976 47.4192 47.5034 47.5500 47.8071 47.8684 47.9824 48.0542 48.4214 48.5610 48.6644 48.8222 48.9275 49.0758 49.1823 49.3844 49.5127 49.6056 50.0657 50.0814 50.2107 50.2769 50.5121 50.6880 50.8758 51.0931 51.4249 51.5411 51.6416 51.9063 52.1737 52.2689 52.4571 52.8328 53.0356 53.1639 53.2145 53.6133 53.9177 54.1282 54.1944 54.4671 54.6286 55.0704 55.2043 55.4907 55.6458 55.6905 56.3012 56.3796 56.5964 56.7068 56.7570 57.1468 57.2919 57.4915 57.6681 57.9534 58.1895 58.2186 58.6198 58.7018 58.8053 59.1258 59.1513 59.6508 59.7662 59.9434 60.1933 60.3744 60.4445 60.6114 60.8706 60.9508 61.2348 61.5372 61.7505 62.0098 62.1934 62.5475 62.7707 62.8218 63.1541 63.6304 63.7269 63.8298 63.9521 64.1830 64.5107 64.8263 64.9756 65.0927 65.1210 65.8878 66.0385 66.1764 66.3888 66.7227 67.0425 67.1331 67.4496 67.4798 67.7414 67.9113 67.9723 68.2021 68.3633 68.5777 69.0544 69.3143 69.4065 69.7313 69.8933 70.1513 70.5011 70.5291 70.7084 71.2044 71.3205 71.5276 71.7406 71.9176 72.3429 72.5786 72.6088 72.8408 73.2730 73.4040 73.5536 73.7193 73.9174 74.2804 74.4674 74.5263 74.6365 74.8399 74.9898 75.1612 75.2815 75.4912 75.6210 75.6823 75.7997 75.9692 76.4359 76.5445 76.6291 76.7135 76.9880 76.9987 77.1928 77.4292 77.6474 77.8249 77.8620 77.9708 78.0737 78.2412 78.4488 78.5960 78.7648 78.8058 78.8482 79.1389 79.1827 79.2546 79.3845 79.4580 79.5752 79.7121 79.8480 79.9564 79.9946 80.1089 80.2791 80.6287 80.7345 80.8475 80.9772 81.0896 81.2399 81.4340 81.4632 81.4932 81.7035 81.9051 81.9658 82.1541 82.2878 82.3723 82.5092 82.6425 82.8308 82.8810 82.8980 83.1611 83.2381 83.2820 83.4573 83.6215 83.7972 83.9958 84.0510 84.1438 84.2537 84.2813 84.4233 84.6660 84.7979 84.9445 85.0219 85.0831 85.1761 85.3065 85.3984 85.4380 85.6545 85.7443 85.9092 85.9639 86.0049 86.0918 86.2192 86.2675 86.4615 86.5572 86.6245 86.7241 86.8574 86.9464 87.0381 87.1960 87.3189 87.4495 87.5238 87.6669 87.7485 87.8959 88.0333 88.1784 88.3192 88.4337 88.5673 88.7905 88.8305 88.9897 89.0214 89.2277 89.2761 89.3378 89.5273 89.6749 89.8242 89.8924 89.9706 90.1581 90.2232 90.3045 90.4378 90.7440 90.8601 90.8988 90.9905 91.1131 91.2202 91.4774 91.7000 91.9092 91.9792 92.1344 92.2501 92.3769 92.4648 92.5418 92.7159 92.7667 92.8771 93.0521 93.1158 93.2593 93.3283 93.3960 93.5143 93.6581 93.7604 93.9258 94.0307 94.1025 94.1760 94.2281 94.4336 94.5458 94.6637 94.7550 94.7925 94.8693 95.1140 95.1297 95.2484 95.3397 95.6520 95.7218 95.8561 95.9515 96.0638 96.2256 96.3436 96.5246 96.6212 96.8556 96.9651 97.0482 97.0830 97.2685 97.4051 97.5129 97.6222 97.6859 97.8789 98.0262 98.1856 98.2648 98.3784 98.5209 98.6526 98.7366 98.8902 99.0489 99.0826 99.2844 99.3593 99.5337 99.5501 99.6334 99.8183 100.1017 100.2516 100.3687 100.4364 100.5847 100.8186 100.8609 100.9792 101.0494 101.2996 101.5341 101.6257 101.9543 102.1924 102.3299 102.4908 102.5963 102.6976 102.8192 102.9752 103.0728 103.1811 103.5889 103.8201 103.8491 104.0740 104.3058 104.4677 104.6770 104.8492 105.0381 105.0995 105.1890 105.3850 105.5737 105.6278 105.8020 105.8897 105.9842 106.1241 106.1814 106.2714 106.3551 106.4732 106.6212 106.8267 106.9244 107.2935 107.3754 107.4712 107.5840 107.6477 107.9035 107.9262 108.0864 108.3779 108.4893 108.8464 108.9601 109.0647 109.1063 109.3301 109.4113 109.4209 109.5460 109.7093 109.7424 110.0914 110.1663 110.2905 110.3738 110.4554 110.5759 110.6387 110.9215 110.9911 111.1593 111.4072 111.4942 111.6536 111.7950 111.9428 112.1150 112.2300 112.4843 112.5419 112.5867 112.8371 113.2003 113.3207 113.4377 113.7105 113.7398 113.8796 114.0956 114.1281 114.3833 114.4253 114.6226 114.6863 114.8110 115.0212 115.2006 115.2739 115.4895 115.6254 115.7498 115.8393 115.9840 116.1293 116.2419 116.3647 116.4210 116.6025 116.7370 116.8719 116.9537 117.0863 117.2638 117.4176 117.4818 117.7188 117.8211 117.9720 118.0586 118.1485 118.2508 118.3815 118.4526 118.6604 118.8624 118.9359 119.0192 119.0702 119.3536 119.4461 119.4924 119.6757 119.7906 119.9719 120.1635 120.2822 120.4199 120.5060 120.5977 120.8809 121.0271 121.1653 121.3047 121.4300 121.5992 121.7684 121.9382 121.9584 122.1341 122.4694 122.4961 122.7634 123.1562 123.2822 123.5462 123.6078 123.9579 124.0279 124.2547 124.6067 124.9477 125.1266 125.2017 125.2518 125.8696 125.9525 126.2575 126.3320 126.6209 126.7483 126.8488 127.1170 127.2202 127.4887 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