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:3.6775,3.2144,2.1776;-1.2388,3.5995,1.1992;-1.8472,2.1739,-1.3636;-1.8642,-.5732,2.2593;3.2002,.4661,1.607;3.0976,-2.6887,-.0249;3.2186,-.6187,-.8857;-1.5118,.9497,.5617;-5.8302,-.0072,-1.0111;-5.4958,-1.3575,-.3787;-4.5833,.6925,-1.5556;-4.553,-1.2105,.8175;-3.4855,.5801,-.5644;-3.4777,-.2452,.483;-2.2234,1.3585,-.5646;-2.2245,-.0313,1.2482;-.2715,1.4751,.9546;.8478,.6572,1.0496;-.1554,2.8203,1.2539;2.0719,1.1778,1.4466;1.6179,-4.0862,-3.221;1.0557,3.3721,1.6132;1.6546,-3.3546,-1.8842;2.1599,2.5476,1.7118;.2135,-4.1665,-3.8055;3.0602,-3.3147,-1.3207;.1701,-4.8838,-5.1456;3.1627,-.9309,1.4959;3.1572,-1.3738,.048;-6.5559,-.138,-1.815;-6.3042,.6354,-.2633;-6.4104,-1.8609,-.0624;-5.028,-2.0018,-1.1288;-4.2667,.2425,-2.5023;-4.789,1.743,-1.7759;-5.096,-.8548,1.6994;-4.1236,-2.1755,1.0981;.7314,-.3895,.8034;2.0179,-5.0983,-3.0971;2.2795,-3.5816,-3.933;.9943,-3.8567,-1.1711;1.2716,-2.3387,-2.0142;1.1287,4.4292,1.8321;-.4447,-4.6771,-3.0958;-.189,-3.1553,-3.9192;3.4338,-4.3235,-1.1469;3.7524,-2.8136,-2.0005;.5346,-5.9097,-5.0613;-.846,-4.9295,-5.5405;.7879,-4.3768,-5.8895;2.3197,-1.3731,2.038;4.0739,-1.3001,1.9721; 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 2958.2440644452 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 7.825e-06 Time for diagonalization 0.533 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 0.807 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:3.6775,3.2144,2.1776;-1.2388,3.5995,1.1992;-1.8472,2.1739,-1.3636;-1.8642,-.5732,2.2593;3.2002,.4661,1.607;3.0976,-2.6887,-.0249;3.2186,-.6187,-.8857;-1.5118,.9497,.5617;-5.8302,-.0072,-1.0111;-5.4958,-1.3575,-.3787;-4.5833,.6925,-1.5556;-4.553,-1.2105,.8175;-3.4855,.5801,-.5644;-3.4777,-.2452,.483;-2.2234,1.3585,-.5646;-2.2245,-.0313,1.2482;-.2715,1.4751,.9546;.8478,.6572,1.0496;-.1554,2.8203,1.2539;2.0719,1.1778,1.4466;1.6179,-4.0862,-3.221;1.0558,3.3721,1.6132;1.6546,-3.3546,-1.8842;2.1599,2.5476,1.7118;.2135,-4.1665,-3.8055;3.0602,-3.3147,-1.3207;.1701,-4.8838,-5.1456;3.1627,-.9309,1.4959;3.1572,-1.3738,.048;-6.5559,-.138,-1.815;-6.3042,.6354,-.2633;-6.4104,-1.8609,-.0624;-5.028,-2.0018,-1.1288;-4.2667,.2425,-2.5023;-4.789,1.743,-1.7759;-5.096,-.8548,1.6994;-4.1236,-2.1755,1.0981;.7314,-.3895,.8034;2.0179,-5.0983,-3.0971;2.2795,-3.5816,-3.933;.9943,-3.8567,-1.1711;1.2716,-2.3387,-2.0142;1.1287,4.4292,1.8321;-.4447,-4.6771,-3.0959;-.189,-3.1553,-3.9192;3.4338,-4.3235,-1.1469;3.7524,-2.8136,-2.0005;.5346,-5.9097,-5.0613;-.846,-4.9295,-5.5405;.7879,-4.3768,-5.8895;2.3197,-1.3731,2.038;4.0739,-1.3001,1.9721; 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:3.6775,3.2144,2.1776;-1.2388,3.5995,1.1992;-1.8472,2.1739,-1.3636;-1.8642,-.5732,2.2593;3.2002,.4661,1.607;3.0976,-2.6887,-.0249;3.2186,-.6187,-.8857;-1.5118,.9497,.5617;-5.8302,-.0072,-1.0111;-5.4958,-1.3575,-.3787;-4.5833,.6925,-1.5556;-4.553,-1.2105,.8175;-3.4855,.5801,-.5644;-3.4777,-.2452,.483;-2.2234,1.3585,-.5646;-2.2245,-.0313,1.2482;-.2715,1.4751,.9546;.8478,.6572,1.0496;-.1554,2.8203,1.2539;2.0719,1.1778,1.4466;1.6179,-4.0862,-3.221;1.0557,3.3721,1.6132;1.6546,-3.3546,-1.8842;2.1599,2.5476,1.7118;.2135,-4.1665,-3.8055;3.0602,-3.3147,-1.3207;.1701,-4.8838,-5.1456;3.1627,-.9309,1.4959;3.1572,-1.3738,.048;-6.5559,-.138,-1.815;-6.3042,.6354,-.2633;-6.4104,-1.8609,-.0624;-5.028,-2.0018,-1.1288;-4.2667,.2425,-2.5023;-4.789,1.743,-1.7759;-5.096,-.8548,1.6994;-4.1236,-2.1755,1.0981;.7314,-.3895,.8034;2.0179,-5.0983,-3.0971;2.2795,-3.5816,-3.933;.9943,-3.8567,-1.1711;1.2716,-2.3387,-2.0142;1.1287,4.4292,1.8321;-.4447,-4.6771,-3.0958;-.189,-3.1553,-3.9192;3.4338,-4.3235,-1.1469;3.7524,-2.8136,-2.0005;.5346,-5.9097,-5.0613;-.846,-4.9295,-5.5405;.7879,-4.3768,-5.8895;2.3197,-1.3731,2.038;4.0739,-1.3001,1.9721; 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 3046 GEPOL Volume 2819.0767 GEPOL Surface-area 1609.6895 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.9s -1805.21798775 2958.24406445 -4763.46205219 -8354.81055866 3591.34850647 -0.03924122 -3604.17557505 1798.95758730 2.00348002 110.999848922161 110.999848922161 221.999697844321 -147.726680075649 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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3.4875 3.5209 3.9516 4.0592 4.1585 4.1917 4.2673 4.3293 4.4221 4.5391 4.7166 4.8685 4.9775 5.1032 5.2366 5.2614 5.4020 5.4854 5.5470 5.7047 5.8004 5.9533 5.9638 6.0342 6.2136 6.2700 6.3819 6.4677 6.4870 6.6628 6.6738 6.9039 6.9574 7.0047 7.2058 7.3767 7.4005 7.4977 7.5495 7.6622 7.7594 7.8873 7.9522 8.0389 8.1058 8.1488 8.3158 8.4660 8.6887 8.7865 8.8199 8.8813 9.0335 9.0930 9.1855 9.3644 9.4367 9.4978 9.5835 9.6849 9.8920 9.9137 10.1254 10.2606 10.3266 10.3822 10.4277 10.5859 10.6705 10.7120 10.7977 10.9296 10.9464 11.0932 11.2052 11.3805 11.4693 11.6621 11.6657 11.7343 11.8692 11.9353 12.0986 12.1670 12.2244 12.3302 12.5667 12.6388 12.7427 12.8538 12.9400 13.0725 13.1290 13.2052 13.2203 13.2643 13.3166 13.3730 13.5000 13.5550 13.6380 13.6930 13.8094 13.8269 13.8465 13.9813 14.0776 14.1271 14.1684 14.2109 14.3090 14.3902 14.5165 14.6103 14.6611 14.7862 14.8466 14.8833 14.9411 15.0082 15.0586 15.1419 15.2527 15.3537 15.4571 15.4722 15.5402 15.6206 15.6993 15.7435 15.8663 15.8874 16.0193 16.0805 16.3097 16.3517 16.4516 16.5786 16.6283 16.7760 17.1190 17.2020 17.4425 17.6058 17.7397 17.8434 17.9533 18.0230 18.1382 18.3040 18.5174 18.5905 18.7268 18.7807 18.9667 19.0398 19.2298 19.4001 19.5348 19.5595 19.6542 19.8019 19.9486 20.3097 20.4486 20.4806 20.5392 20.7348 20.8569 21.0271 21.2361 21.2615 21.3771 21.6721 21.7280 21.8218 22.0444 22.1019 22.2194 22.3057 22.4782 22.5241 22.6666 22.7292 22.8865 23.0609 23.1847 23.2609 23.3655 23.4695 23.5216 23.6347 23.7623 23.8719 23.9931 24.0569 24.2184 24.3880 24.4792 24.5342 24.6704 24.8546 25.0925 25.1380 25.2305 25.3102 25.4288 25.5989 25.7531 25.8935 25.9692 26.0638 26.2809 26.4389 26.4829 26.6757 26.7288 26.8602 27.0121 27.3671 27.5487 27.6518 27.9557 28.0500 28.2092 28.4177 28.5371 28.6174 28.6774 28.7680 28.8850 29.0499 29.1343 29.3872 29.4732 29.5379 29.6116 29.8134 30.0449 30.1932 30.3606 30.4196 30.5326 30.6648 30.7595 30.9230 31.0251 31.1010 31.1940 31.2737 31.4274 31.4905 31.5648 31.6232 31.7524 31.8556 32.1624 32.2379 32.2787 32.4532 32.6070 32.7984 32.8155 32.8795 33.0486 33.0774 33.1876 33.4409 33.5063 33.6551 33.7691 33.8643 34.0680 34.1020 34.2232 34.4214 34.4430 34.6487 34.7587 35.0262 35.1896 35.3217 35.4693 35.5441 35.7890 35.8284 35.9245 36.0830 36.3393 36.3755 36.5474 36.6430 36.6938 36.8559 37.0868 37.1044 37.2144 37.2958 37.4463 37.5392 37.7783 37.8416 38.1254 38.1885 38.2776 38.4446 38.6026 38.7780 38.9266 38.9526 39.0280 39.1309 39.3959 39.6768 40.0189 40.1753 40.2006 40.3509 40.4698 40.5211 40.7159 40.7730 40.9854 41.2070 41.3321 41.4662 41.5234 41.7062 41.8218 41.9553 42.0330 42.2231 42.3320 42.4052 42.5087 42.5975 42.7248 42.8052 42.8500 43.0196 43.0632 43.2451 43.3699 43.4682 43.7032 43.7667 43.8065 43.9500 44.0178 44.2132 44.2951 44.5393 44.5989 44.8163 44.8811 45.0324 45.1100 45.2943 45.5240 45.7002 45.8757 45.9313 46.0645 46.3270 46.5084 46.6552 46.6769 47.0013 47.0494 47.1828 47.2370 47.3105 47.4864 47.7617 47.9529 48.0351 48.0830 48.2183 48.3393 48.4470 48.5559 48.8152 48.9630 49.3405 49.3843 49.5609 49.8302 50.0240 50.3739 50.5125 50.6739 50.8364 50.8505 51.0431 51.2258 51.4421 51.5824 51.9358 52.0757 52.1599 52.2302 52.4679 52.6909 52.8729 53.1710 53.3121 53.4634 53.5185 53.9696 54.1698 54.3393 55.0262 55.2151 55.3614 55.7468 55.9667 55.9771 56.1700 56.4702 56.6917 56.7602 57.0316 57.1831 57.4297 57.7796 57.9466 58.2625 58.4137 58.6095 58.7009 58.8132 59.2225 59.4308 59.4690 59.7063 59.8216 59.9156 60.0196 60.2543 60.4154 60.5530 60.6594 60.8122 61.0306 61.2704 61.4367 61.6130 61.6995 61.9790 62.0053 62.4668 62.7977 62.8626 63.0586 63.0806 63.0938 63.1943 63.5084 63.8357 64.1465 64.1990 64.3078 64.4226 64.6949 64.8460 64.9055 65.1956 65.2616 65.5832 65.8739 66.2444 66.2970 66.5531 66.6857 66.8099 67.3715 67.5372 67.7270 67.9324 68.3003 68.4075 68.5175 68.9288 69.1769 69.3706 69.4567 69.7781 70.1455 70.4640 70.5331 70.7534 71.0907 71.1460 71.3262 71.3582 71.6037 71.7408 71.8057 72.2796 72.3487 72.3744 72.6359 72.9357 73.1309 73.2732 73.5393 73.6883 73.8552 73.9957 74.4099 74.5114 74.8794 74.9229 74.9726 75.0527 75.4174 75.5665 75.6806 75.8725 75.9605 76.2132 76.3844 76.5943 76.6799 76.8220 76.9761 77.2181 77.2762 77.5559 77.5974 77.9450 78.0350 78.4714 78.5716 78.7557 78.8899 79.1807 79.2317 79.3699 79.4449 79.5428 79.7037 79.9068 79.9481 80.1500 80.2558 80.3572 80.5280 80.6619 80.8117 80.9594 81.0295 81.1776 81.2378 81.2809 81.4529 81.6068 81.7005 81.7846 81.8788 82.0283 82.2241 82.2843 82.3968 82.5019 82.5552 82.8618 82.9514 83.1704 83.3125 83.4355 83.5122 83.5713 83.7873 83.9560 84.2894 84.3712 84.6291 84.7588 84.8041 84.9222 84.9884 85.1867 85.2680 85.3766 85.3849 85.6314 85.7636 85.8662 86.0165 86.1385 86.3446 86.3809 86.5034 86.5783 86.6249 86.9285 86.9704 87.1134 87.1742 87.3586 87.4662 87.6261 87.7433 87.7728 87.9388 88.1270 88.3470 88.4281 88.5062 88.5918 88.6277 88.7114 88.8159 88.8844 88.9147 89.0113 89.1598 89.2673 89.2904 89.4163 89.5089 89.5335 89.7911 89.9191 90.0685 90.2387 90.2641 90.3970 90.5261 90.6413 90.6733 90.7223 90.8031 90.8123 91.0123 91.1148 91.1775 91.5105 91.5719 91.6585 91.8080 92.0785 92.1785 92.2867 92.4027 92.4805 92.5669 92.8458 92.8837 93.0895 93.1535 93.4445 93.5769 93.7363 93.8100 94.0182 94.2157 94.3866 94.4929 94.6475 94.6779 94.7693 94.9263 95.1275 95.2062 95.2720 95.4283 95.5465 95.7436 95.9206 96.0000 96.0446 96.2207 96.3932 96.5311 96.7867 97.0073 97.1100 97.2027 97.5679 97.6198 97.8359 98.0238 98.1156 98.2265 98.3106 98.4844 98.6547 98.7608 99.0347 99.1760 99.3587 99.5516 99.6947 99.7732 99.8580 100.0406 100.3011 100.4033 100.5198 100.6298 100.6712 100.7463 100.9506 100.9887 101.4062 101.5820 101.7539 101.9605 102.0049 102.0723 102.2912 102.3843 102.5559 102.7478 102.7989 103.0716 103.2087 103.2884 103.4704 103.9075 103.9580 104.0853 104.1486 104.4338 104.5972 104.6680 104.7162 104.8888 104.9379 105.1347 105.2947 105.5717 105.6900 105.8860 106.2008 106.4135 106.6912 106.9161 106.9680 107.0805 107.2014 107.2232 107.3155 107.5368 107.8084 107.8617 108.2641 108.2944 108.4438 108.6053 108.8256 108.9448 109.1105 109.1809 109.2380 109.3569 109.4562 109.6902 109.7043 109.8763 109.9872 110.2016 110.3395 110.5060 110.7812 110.9578 111.1960 111.2178 111.4326 111.7002 111.8855 111.9538 111.9999 112.2099 112.3030 112.5688 112.6250 112.8072 112.8370 113.0222 113.1749 113.2408 113.6098 113.6566 113.7238 113.8241 113.9257 114.0382 114.2254 114.4024 114.5395 114.6047 114.7585 115.0309 115.0953 115.2284 115.3794 115.5138 115.6044 115.7514 115.8496 116.0108 116.0549 116.2759 116.4171 116.4887 116.9251 117.2006 117.3856 117.4665 117.5448 117.6447 117.9138 118.0884 118.1603 118.2258 118.3920 118.5634 118.6852 118.8369 118.9556 119.0059 119.2328 119.2919 119.4576 119.6223 119.7721 119.9291 120.0219 120.2327 120.3253 120.4362 120.5027 120.6874 120.8622 121.3669 121.4185 121.6562 121.9436 121.9521 122.1311 122.2004 122.4506 122.8052 123.0958 123.2327 123.3372 123.8584 123.9647 124.2453 124.2910 124.3579 124.5192 124.8542 125.2773 125.4044 125.7619 125.8696 126.2349 126.3614 126.5107 126.8794 126.9748 127.0321 127.1833 127.6041 127.8682 128.1765 128.1868 128.5945 128.8388 128.9779 129.3741 129.6626 129.8129 130.2467 130.3667 130.7480 130.8389 131.1151 131.5440 131.6343 131.8904 132.0260 132.2495 132.4577 132.7048 132.7931 132.8774 132.9683 133.4597 133.8382 133.9028 134.0601 134.3324 134.4179 134.4741 134.8790 135.0469 135.2761 135.5658 135.8406 135.9856 136.1700 136.3888 136.4106 136.9074 136.9638 137.0059 137.2542 137.7363 137.8520 137.8642 138.0354 138.4430 138.6940 138.9904 139.0710 139.2929 139.4691 139.8099 139.8419 140.0462 140.0957 140.4999 140.7210 141.1486 141.2367 141.7066 142.1818 142.4252 142.8213 142.8782 143.0356 143.8000 143.8859 143.9793 144.1379 144.5641 144.6598 144.8679 144.9243 145.6394 145.7329 145.9038 146.0492 146.6343 146.8892 146.9619 147.2423 147.5145 147.7224 148.2114 148.2359 148.3387 148.8218 148.9139 148.9232 149.0224 149.3756 149.5651 149.9738 150.1892 150.4364 150.5039 150.5222 150.7702 151.0002 151.1718 151.2814 151.3647 151.7623 152.2479 152.4754 152.6907 152.9709 153.0047 153.1793 153.1915 153.3708 153.6541 153.7161 154.1397 154.2675 154.3679 154.4088 154.5072 154.7824 154.8171 155.1368 155.2568 155.6615 155.7583 156.2178 156.3688 156.4748 156.7760 157.6442 157.8643 157.9524 158.0236 158.0398 158.3048 158.7390 159.1246 159.2161 159.4099 159.6823 160.2004 160.2933 160.4672 160.6724 160.8395 161.1089 161.3786 162.6784 162.8449 164.2130 165.4556 165.9910 167.3148 169.9578 170.2863 170.5627 171.5908 172.1960 172.8914 173.9135 174.2061 174.9320 176.0709 176.5410 177.0630 177.4390 179.4845 179.7808 180.4085 180.8746 181.8486 181.9819 184.7566 185.2595 185.6795 186.2921 187.8031 188.2059 188.2412 188.3174 189.0971 189.3319 189.9234 190.5829 192.5780 192.7005 193.1397 193.6101 195.3847 195.7313 196.1098 196.6931 196.8225 198.5672 199.1049 200.3110 202.0906 203.9756 206.0115 206.3734 207.2345 211.8400 221.6099 223.3967 223.5683 227.9452 229.7527 230.2579 236.0416 241.1620 248.0529 249.0856 294.8548 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