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 Cl F F F 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 H H H H H H H H H H H H H H H H H H H 1 2 2 2 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 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:2.6052,-.6823,-2.6484;4.5632,-.533,.6997;4.4256,.9083,-.8926;5.2851,-1.0225,-1.2677;-2.2963,-1.3867,1.2863;-2.0901,-1.8434,-.8878;-1.7441,3.6007,.2344;-5.2435,-2.6828,.2055;.4179,-3.4567,.1022;.852,-2.1353,-.4716;-.2321,-2.182,.5928;-.317,-4.4036,-.8139;1.2988,-4.1701,1.1004;2.148,-1.5465,-.1316;-1.6041,-1.8039,.2116;2.9648,-.9262,-.9761;-3.5909,-.8465,1.061;4.311,-.3918,-.6012;-3.5538,.4136,.2226;-4.499,-1.8764,.5435;-2.6736,1.4102,.6302;-4.353,.5967,-.8952;-2.5742,2.578,-.1116;-4.2673,1.7864,-1.6061;-3.3739,2.7737,-1.2312;-.569,3.3512,.8936;-.2639,4.1606,1.977;.32,2.3736,.4636;.9453,3.9909,2.637;1.5175,2.2059,1.1421;1.837,3.0107,2.2275;.4919,-1.9422,-1.4756;.059,-1.8726,1.5901;-.86,-3.9032,-1.6119;.4004,-5.0801,-1.2817;-1.0259,-5.0143,-.2516;1.7499,-3.5026,1.8335;.7134,-4.907,1.6526;2.1033,-4.7024,.5898;2.4756,-1.6346,.8972;-3.9532,-.6014,2.0631;-2.0689,1.2727,1.5184;-5.0383,-.1729,-1.2256;-4.8904,1.9345,-2.4781;-3.2942,3.6927,-1.798;-.9652,4.9213,2.2958;.0895,1.7488,-.3905;1.1845,4.6268,3.4792;2.2097,1.4438,.811;2.7764,2.876,2.7472; 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 1730 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 232 Dim 1238 ENuc 3280.8573170861 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 6.853e-06 Time for diagonalization 0.363 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.299 sec Total time needed 0.676 sec 17 9 9 9 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:2.6052,-.6823,-2.6484;4.5632,-.533,.6997;4.4256,.9083,-.8926;5.2851,-1.0225,-1.2677;-2.2963,-1.3867,1.2863;-2.0901,-1.8434,-.8878;-1.7441,3.6007,.2344;-5.2435,-2.6828,.2055;.4179,-3.4567,.1022;.852,-2.1353,-.4716;-.2321,-2.182,.5928;-.317,-4.4036,-.8139;1.2988,-4.1701,1.1004;2.148,-1.5465,-.1316;-1.6041,-1.8039,.2116;2.9648,-.9262,-.9761;-3.5909,-.8465,1.061;4.311,-.3918,-.6012;-3.5538,.4136,.2226;-4.499,-1.8764,.5435;-2.6736,1.4102,.6302;-4.353,.5967,-.8952;-2.5742,2.578,-.1116;-4.2673,1.7864,-1.6061;-3.3739,2.7737,-1.2312;-.569,3.3512,.8936;-.2639,4.1606,1.977;.32,2.3736,.4636;.9453,3.9909,2.637;1.5175,2.2059,1.1421;1.837,3.0107,2.2275;.4919,-1.9422,-1.4756;.059,-1.8726,1.5901;-.86,-3.9032,-1.6119;.4004,-5.0801,-1.2817;-1.0259,-5.0143,-.2516;1.7499,-3.5026,1.8335;.7134,-4.907,1.6526;2.1033,-4.7024,.5898;2.4756,-1.6346,.8972;-3.9532,-.6014,2.0631;-2.0689,1.2727,1.5184;-5.0383,-.1729,-1.2256;-4.8904,1.9345,-2.4781;-3.2942,3.6927,-1.798;-.9652,4.9213,2.2958;.0895,1.7488,-.3905;1.1845,4.6268,3.4792;2.2097,1.4438,.811;2.7764,2.876,2.7472; 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" 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:2.6052,-.6823,-2.6484;4.5632,-.533,.6997;4.4256,.9083,-.8926;5.2851,-1.0225,-1.2677;-2.2963,-1.3867,1.2863;-2.0901,-1.8434,-.8878;-1.7441,3.6007,.2344;-5.2435,-2.6828,.2055;.4179,-3.4567,.1022;.852,-2.1353,-.4716;-.2321,-2.182,.5928;-.317,-4.4036,-.8139;1.2988,-4.1701,1.1004;2.148,-1.5465,-.1316;-1.6041,-1.8039,.2116;2.9648,-.9262,-.9761;-3.5909,-.8465,1.061;4.311,-.3918,-.6012;-3.5538,.4136,.2226;-4.499,-1.8764,.5435;-2.6736,1.4102,.6302;-4.353,.5967,-.8952;-2.5742,2.578,-.1116;-4.2673,1.7864,-1.6061;-3.3739,2.7737,-1.2312;-.569,3.3512,.8936;-.2639,4.1606,1.977;.32,2.3736,.4636;.9453,3.9909,2.637;1.5175,2.2059,1.1421;1.837,3.0107,2.2275;.4919,-1.9422,-1.4756;.059,-1.8726,1.5901;-.86,-3.9032,-1.6119;.4004,-5.0801,-1.2817;-1.0259,-5.0143,-.2516;1.7499,-3.5026,1.8335;.7134,-4.907,1.6526;2.1033,-4.7024,.5898;2.4756,-1.6346,.8972;-3.9532,-.6014,2.0631;-2.0689,1.2727,1.5184;-5.0383,-.1729,-1.2256;-4.8904,1.9345,-2.4781;-3.2942,3.6927,-1.798;-.9652,4.9213,2.2958;.0895,1.7488,-.3905;1.1845,4.6268,3.4792;2.2097,1.4438,.811;2.7764,2.876,2.7472; 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 2882 GEPOL Volume 3006.2308 GEPOL Surface-area 1671.6579 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1928.18826017 3280.85731709 -5209.04557726 -9168.28467076 3959.23909350 -0.03484701 -3849.80605797 1921.61779780 2.00341923 115.999785594217 115.999785594217 231.999571188433 -157.116991281801 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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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15.2577 15.2848 15.3345 15.4290 15.5735 15.6175 15.6865 15.7347 15.7979 15.8630 15.9794 16.1080 16.1698 16.2512 16.3683 16.3951 16.5077 16.5390 16.6570 16.8304 16.8657 16.9631 17.0813 17.1458 17.3257 17.3997 17.5803 17.7395 17.9733 18.0976 18.2547 18.3822 18.4599 18.6566 18.7405 18.8346 18.9846 19.2258 19.3082 19.4636 19.6427 19.7748 19.8822 19.9573 20.0612 20.1111 20.2812 20.3280 20.6700 20.6828 20.7899 20.8574 20.9879 21.0540 21.1587 21.2543 21.3576 21.5055 21.7004 21.8621 21.9072 22.0004 22.1128 22.1670 22.3267 22.4053 22.4721 22.7473 22.8262 23.0789 23.0939 23.3561 23.4665 23.5587 23.5959 23.6644 23.7364 23.8674 24.0657 24.1537 24.2484 24.4193 24.4861 24.6880 24.7698 24.9123 24.9226 24.9971 25.2122 25.3030 25.5695 25.6513 25.7816 25.8552 26.0451 26.0769 26.1795 26.4397 26.7214 26.8517 26.9568 26.9968 27.1365 27.2612 27.3038 27.4552 27.6646 27.8742 27.9752 28.0447 28.1899 28.2594 28.3878 28.4057 28.4800 28.8932 29.0157 29.1589 29.1774 29.3878 29.4466 29.4961 29.7322 29.7985 29.9348 29.9991 30.2450 30.3003 30.4434 30.5276 30.8340 30.9803 31.0339 31.2854 31.3657 31.4781 31.6325 31.7043 31.8657 31.9652 32.2125 32.3440 32.4115 32.6916 32.7636 32.8517 32.9507 33.1433 33.2719 33.3142 33.4514 33.5218 33.7048 33.7955 33.9565 34.0600 34.2843 34.3670 34.4346 34.7465 34.9582 35.1454 35.1793 35.3207 35.4287 35.5318 35.7747 35.9042 35.9733 36.0797 36.1475 36.3662 36.4279 36.5209 36.6830 36.8022 36.8776 36.9422 37.0813 37.2674 37.3924 37.4691 37.5633 37.7419 37.8878 37.9642 38.0367 38.3261 38.3597 38.5518 38.6301 38.7533 38.8796 39.0135 39.1659 39.2411 39.3361 39.4499 39.6898 39.7095 39.7995 39.8506 40.0738 40.1516 40.2426 40.3945 40.6052 40.7673 40.8494 41.1009 41.2720 41.3431 41.3978 41.8184 41.8597 42.2723 42.2959 42.3899 42.5302 42.6442 42.7335 42.7830 43.0140 43.0683 43.3041 43.5068 43.5902 43.7637 43.8931 44.0522 44.1279 44.3681 44.4211 44.5147 44.6022 44.7400 44.8393 44.9426 45.0675 45.2492 45.3522 45.4664 45.7285 45.9127 46.0680 46.1194 46.2767 46.5458 46.6946 46.7767 46.9417 47.0663 47.2530 47.3659 47.6304 47.6614 47.7943 48.0637 48.2113 48.3666 48.5482 48.6401 48.7127 48.8221 48.9052 49.1369 49.3354 49.4388 49.5935 49.8760 50.0830 50.1317 50.3915 50.4809 50.6519 50.9096 51.0503 51.1812 51.3135 51.4307 51.7082 52.0781 52.0948 52.2066 52.4894 52.5173 52.6493 52.8447 52.9982 53.0188 53.2092 53.4664 53.5263 53.9689 54.0780 54.1796 54.4446 54.7910 55.1461 55.3324 55.4390 55.6413 55.7430 55.7900 55.8575 56.1905 56.4415 56.5762 56.6416 56.8073 56.9173 57.0702 57.3521 57.4452 57.7603 57.8928 58.0256 58.1786 58.4772 58.6352 58.7652 59.2782 59.4643 59.5027 59.7271 59.8141 60.0245 60.2968 60.3640 60.5093 60.5528 60.9767 61.0202 61.1915 61.4032 61.7075 62.0313 62.2101 62.4277 62.7270 62.8413 62.9263 63.4720 63.5397 63.7302 63.8458 64.0390 64.1149 64.3919 64.5515 64.7939 64.9913 65.0535 65.1386 65.3189 65.6120 65.7552 65.8829 66.1413 66.3385 66.5112 66.6117 66.6857 66.8425 67.2192 67.2734 67.5633 67.6366 67.8207 67.8921 68.1165 68.2228 68.7152 68.9893 69.2930 69.4292 69.5967 69.6404 69.8726 70.0478 70.2380 70.7314 71.0941 71.2294 71.3453 71.7107 71.8205 72.1697 72.3292 72.5342 72.6329 72.8195 73.0141 73.2671 73.4383 73.8036 73.9699 74.0835 74.1407 74.2687 74.5284 74.6247 74.9553 75.0595 75.1440 75.4868 75.5737 75.8180 75.9657 76.1570 76.3795 76.5405 76.7649 76.9041 77.1647 77.2439 77.4484 77.4738 77.8035 78.0660 78.1562 78.3412 78.4297 78.4819 78.7226 78.7937 79.0212 79.0973 79.1653 79.2106 79.3242 79.4852 79.5746 79.6432 79.7543 79.8728 79.9780 80.1880 80.4272 80.6359 80.7328 80.7991 80.8768 81.0901 81.2898 81.3583 81.3982 81.6267 81.7387 81.9059 82.0547 82.1615 82.2721 82.5558 82.6491 82.7400 82.8580 82.9178 83.0663 83.1999 83.4940 83.5845 83.6433 83.8513 84.0464 84.1607 84.2045 84.5020 84.5788 84.6955 84.8632 84.9294 85.0357 85.0872 85.1965 85.3491 85.4158 85.4855 85.6974 85.7878 85.9075 85.9634 86.0640 86.1688 86.2766 86.4270 86.6258 86.7620 86.8550 87.0204 87.0732 87.1967 87.3895 87.5242 87.5473 87.6663 87.7767 87.8305 88.1635 88.1943 88.3132 88.4919 88.7123 88.7492 88.8674 88.9411 89.0024 89.0778 89.2299 89.2939 89.4041 89.4973 89.6825 89.8545 90.0066 90.0740 90.1328 90.2578 90.3197 90.4418 90.6744 90.7121 90.8789 90.9838 91.3297 91.4806 91.6096 91.6951 91.8070 91.9155 92.2124 92.2784 92.3423 92.5467 92.6588 92.9015 92.9378 93.0018 93.0810 93.2179 93.2584 93.3024 93.4946 93.5226 93.6578 93.8718 93.8860 93.9906 94.0792 94.1483 94.4495 94.5111 94.6455 94.7175 94.8985 94.9868 95.1478 95.2534 95.4654 95.5142 95.6033 95.6381 95.9147 95.9839 96.1690 96.2869 96.4332 96.4720 96.7501 96.8875 97.0434 97.1287 97.2262 97.4022 97.4362 97.6074 97.7133 97.8494 98.1050 98.1499 98.1778 98.3785 98.6006 98.6942 98.7510 99.0300 99.2398 99.3186 99.4102 99.4624 99.7540 99.8622 99.9629 100.0497 100.3334 100.5105 100.5908 100.9487 101.1542 101.2955 101.6161 101.6977 101.9339 102.1979 102.3827 102.4831 102.7122 102.8681 103.0895 103.2089 103.4693 103.6403 103.9952 104.0486 104.4287 104.6793 104.7669 104.9498 105.0777 105.1583 105.2707 105.4119 105.4915 105.5497 105.6685 105.8780 106.0112 106.0725 106.0914 106.2222 106.3728 106.5172 106.6984 106.8057 107.0255 107.2080 107.2932 107.4270 107.6829 107.7141 107.8541 107.9066 107.9659 108.3380 108.4258 108.6678 108.7156 108.9032 109.1883 109.2006 109.2826 109.6554 109.7130 109.8006 110.0337 110.2018 110.3854 110.4525 110.5225 110.6881 110.7803 110.9524 111.1017 111.1631 111.2444 111.4193 111.5729 111.6402 111.8209 112.0267 112.1828 112.3398 112.5007 112.5939 112.8943 112.9254 113.0304 113.1415 113.3657 113.6907 113.8612 114.0108 114.0959 114.2614 114.5938 114.8116 114.9480 115.0010 115.2241 115.3364 115.6292 115.7251 115.8293 115.9396 116.0630 116.2671 116.4098 116.6171 116.6683 116.6819 116.8687 116.9487 117.1381 117.3951 117.4003 117.6275 117.8197 117.9253 118.1050 118.1353 118.2732 118.4947 118.6708 118.7057 118.8081 118.9148 119.1238 119.2544 119.5140 119.5978 119.7621 119.8248 120.1024 120.2506 120.3199 120.4482 120.6811 120.8973 121.2361 121.3246 121.6247 121.6811 122.1595 122.1934 122.5040 122.8101 122.8630 123.0285 123.4092 123.6037 123.6443 123.9138 124.1677 124.4854 124.5486 125.2906 125.4334 125.6938 125.8062 125.9047 126.0959 126.4019 126.6491 126.8397 127.1775 127.4038 127.5376 127.8395 128.2012 128.3363 128.7657 128.9263 129.0673 129.4262 129.5749 129.6196 129.8477 130.0341 130.1112 130.2047 130.5625 130.8366 130.9656 131.1874 131.4442 131.5831 131.7521 131.8853 132.0660 132.2169 132.3105 132.5417 132.7373 132.9744 133.0636 133.4135 133.6069 134.3566 134.7849 134.9607 135.1220 135.2505 135.3246 135.8560 136.1096 136.4301 136.5651 137.0373 137.2913 137.6024 137.9219 138.4677 138.5466 138.6856 138.8483 138.9346 139.4038 139.6937 139.9599 140.0808 140.2548 140.4963 140.7637 141.1297 141.4392 141.7125 141.9958 142.3722 142.7762 143.1351 143.3361 143.9222 144.0311 144.2825 144.5082 144.6360 144.6848 144.9575 145.0126 145.3210 145.5908 145.9267 146.3255 146.3728 146.4510 146.6696 146.9245 147.3189 147.5759 147.8125 147.9224 148.0486 148.2352 148.4768 148.7950 148.9681 149.6033 149.6572 149.8259 150.1091 150.5625 150.7597 150.8610 151.1275 151.8887 151.9238 152.0957 152.4910 152.7462 152.8176 152.8984 153.6590 153.9048 154.4843 154.7715 155.1043 155.3430 156.0033 156.1757 157.0799 157.2719 157.3139 157.4844 157.8901 157.9214 158.7074 159.2503 159.4053 159.5688 160.0848 160.2012 160.3866 161.4688 162.1109 162.2103 162.5852 162.8436 163.4713 164.1463 164.7899 165.3690 166.7293 168.0803 169.6431 171.3367 172.3448 172.4153 172.6495 172.9701 174.7725 176.9782 177.6381 179.1455 180.4036 181.1046 183.0550 185.4219 185.8921 187.1145 187.2811 187.3982 188.3636 188.4816 188.7414 188.7834 188.8062 188.8426 188.8713 189.0333 189.3735 189.7206 192.1485 192.2072 192.2648 192.3404 192.9602 193.5488 194.4292 195.0073 195.6424 196.5543 196.5591 199.5384 202.0986 202.8099 202.9166 203.9691 204.9765 206.4353 206.5749 207.9150 209.1637 209.4240 221.9568 223.3576 223.8301 226.9135 227.7557 228.4784 228.5578 229.2009 232.6367 233.3150 235.1895 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