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:-1.3367,1.9298,1.0007;-.4708,2.1158,-1.0521;-1.0568,-3.048,.5797;-4.3385,1.6735,2.3556;2.1249,1.3657,.6185;2.1853,2.7912,.1585;.9463,2.2962,.8755;2.0244,.2773,-.4222;2.8967,.9378,1.8428;3.029,3.8097,.8135;-.3129,2.1223,.1436;3.7718,4.7146,.1697;3.8381,4.8006,-1.3327;4.5917,5.7172,.922;-2.5792,1.5605,.4264;-2.56,.1624,-.1507;-3.5472,1.629,1.5222;-1.8019,-.8287,.4589;-3.3085,-.1176,-1.2835;-1.7957,-2.1048,-.0811;-3.3063,-1.4056,-1.8;-2.5547,-2.4068,-1.2063;-.3592,-3.9914,-.1349;.3332,-3.6742,-1.2972;-.3249,-5.2766,.3854;1.0512,-4.6685,-1.9463;.4077,-6.2571,-.2683;1.0921,-5.9607,-1.4389;2.0608,2.913,-.9128;.8283,2.5977,1.9104;1.4594,-.5777,-.043;1.5593,.6059,-1.3492;3.0259,-.0782,-.6717;2.471,.0229,2.2586;3.9365,.7301,1.5829;2.8936,1.6881,2.6321;3.0316,3.8182,1.8992;4.541,5.5693,-1.6525;4.1583,3.8609,-1.7853;2.8689,5.0501,-1.7693;4.3036,6.7377,.6557;4.4886,5.6085,2.0015;5.6515,5.6233,.6711;-2.8991,2.2785,-.3363;-1.2102,-.6244,1.3431;-3.8871,.6632,-1.7601;-3.8935,-1.6338,-2.6792;-2.5631,-3.407,-1.6197;.3202,-2.6674,-1.6961;-.8661,-5.5061,1.2945;1.589,-4.4242,-2.8529;.4331,-7.2596,.138;1.6561,-6.7291,-1.9503; 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 2479.1442821882 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 6.359e-06 Time for diagonalization 0.440 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.301 sec Total time needed 0.752 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:-1.3367,1.9298,1.0007;-.4708,2.1158,-1.0521;-1.0568,-3.048,.5797;-4.3385,1.6735,2.3556;2.1249,1.3657,.6185;2.1853,2.7912,.1585;.9463,2.2962,.8755;2.0244,.2773,-.4222;2.8967,.9378,1.8428;3.029,3.8097,.8135;-.3129,2.1223,.1436;3.7718,4.7146,.1697;3.8381,4.8006,-1.3327;4.5917,5.7172,.922;-2.5792,1.5605,.4264;-2.56,.1624,-.1507;-3.5472,1.629,1.5222;-1.8019,-.8287,.4589;-3.3085,-.1176,-1.2835;-1.7957,-2.1048,-.0811;-3.3063,-1.4056,-1.8;-2.5547,-2.4068,-1.2063;-.3592,-3.9914,-.1349;.3332,-3.6742,-1.2972;-.3249,-5.2766,.3854;1.0512,-4.6685,-1.9463;.4077,-6.2571,-.2683;1.0921,-5.9607,-1.4389;2.0608,2.913,-.9128;.8283,2.5977,1.9104;1.4594,-.5777,-.043;1.5593,.6059,-1.3492;3.0259,-.0782,-.6717;2.471,.0229,2.2586;3.9365,.7301,1.5829;2.8936,1.6881,2.6321;3.0316,3.8182,1.8992;4.541,5.5693,-1.6525;4.1583,3.8609,-1.7853;2.8689,5.0501,-1.7693;4.3036,6.7377,.6557;4.4886,5.6084,2.0015;5.6515,5.6233,.6711;-2.8991,2.2785,-.3363;-1.2102,-.6244,1.3431;-3.8871,.6632,-1.7601;-3.8935,-1.6338,-2.6792;-2.5631,-3.407,-1.6197;.3202,-2.6674,-1.6961;-.8661,-5.5061,1.2945;1.589,-4.4242,-2.8529;.4331,-7.2596,.138;1.6561,-6.7291,-1.9503; 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" 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:-1.3367,1.9298,1.0007;-.4708,2.1158,-1.0521;-1.0568,-3.048,.5797;-4.3385,1.6735,2.3556;2.1249,1.3657,.6185;2.1853,2.7912,.1585;.9463,2.2962,.8755;2.0244,.2773,-.4222;2.8967,.9378,1.8428;3.029,3.8097,.8135;-.3129,2.1223,.1436;3.7718,4.7146,.1697;3.8381,4.8006,-1.3327;4.5917,5.7172,.922;-2.5792,1.5605,.4264;-2.56,.1624,-.1507;-3.5472,1.629,1.5222;-1.8019,-.8287,.4589;-3.3085,-.1176,-1.2835;-1.7957,-2.1048,-.0811;-3.3063,-1.4056,-1.8;-2.5547,-2.4068,-1.2063;-.3592,-3.9914,-.1349;.3332,-3.6742,-1.2972;-.3249,-5.2766,.3854;1.0512,-4.6685,-1.9463;.4077,-6.2571,-.2683;1.0921,-5.9607,-1.4389;2.0608,2.913,-.9128;.8283,2.5977,1.9104;1.4594,-.5777,-.043;1.5593,.6059,-1.3492;3.0259,-.0782,-.6717;2.471,.0229,2.2586;3.9365,.7301,1.5829;2.8936,1.6881,2.6321;3.0316,3.8182,1.8992;4.541,5.5693,-1.6525;4.1583,3.8609,-1.7853;2.8689,5.0501,-1.7693;4.3036,6.7377,.6557;4.4886,5.6085,2.0015;5.6515,5.6233,.6711;-2.8991,2.2785,-.3363;-1.2102,-.6244,1.3431;-3.8871,.6632,-1.7601;-3.8935,-1.6338,-2.6792;-2.5631,-3.407,-1.6197;.3202,-2.6674,-1.6961;-.8661,-5.5061,1.2945;1.589,-4.4242,-2.8529;.4331,-7.2596,.138;1.6561,-6.7291,-1.9503; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 1.5200 1.8900 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 3161 GEPOL Volume 2675.9385 GEPOL Surface-area 1565.8703 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1210.09206020 2479.14428219 -3689.23634239 -6569.63417000 2880.39782761 -0.03631430 -2414.78461945 1204.69255925 2.00448206 100.000003025899 100.000003025899 200.000006051798 -118.582032037469 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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7.5047 7.6344 7.7766 7.7911 7.9051 7.9949 8.1226 8.1469 8.2021 8.2947 8.4657 8.5109 8.5970 8.7057 8.7123 8.8925 8.9621 9.0473 9.1085 9.2282 9.3284 9.4039 9.4905 9.6223 9.7583 9.9302 10.1765 10.2038 10.2557 10.3089 10.3572 10.5117 10.6382 10.7828 10.9379 11.0181 11.1773 11.1868 11.2874 11.3517 11.4322 11.5317 11.6386 11.7317 11.8060 11.9031 12.0672 12.0901 12.3094 12.3287 12.4797 12.5366 12.6395 12.9032 12.9521 12.9884 13.1192 13.1472 13.2016 13.3218 13.4015 13.5031 13.5727 13.7301 13.7710 13.8137 13.8438 13.9337 14.0198 14.0870 14.1578 14.2617 14.2818 14.4031 14.4817 14.6228 14.6935 14.7665 14.8928 14.9520 15.0159 15.0602 15.1930 15.2602 15.3108 15.4066 15.4592 15.5204 15.6477 15.6763 15.8265 15.8864 16.0119 16.0712 16.1002 16.1842 16.2119 16.3917 16.4792 16.5460 16.6193 16.6951 16.8052 16.9595 17.0267 17.2291 17.3271 17.4158 17.4787 17.4972 17.6254 17.8014 18.0743 18.1743 18.3559 18.5464 18.6172 18.8359 18.8878 19.0493 19.2206 19.2830 19.5550 19.5690 19.7679 19.8209 19.9274 20.1794 20.2889 20.3603 20.3880 20.4140 20.6339 20.6765 20.7683 20.9026 21.0188 21.2252 21.3293 21.4517 21.5237 21.6097 21.8883 21.9788 22.0693 22.1885 22.3303 22.3637 22.6163 22.8174 23.0331 23.1469 23.2761 23.3822 23.5563 23.6361 23.8380 23.9304 23.9888 24.2301 24.3633 24.4819 24.6701 24.6973 24.8172 24.9572 25.0642 25.1161 25.3279 25.4302 25.6016 25.7702 25.9816 26.2015 26.3180 26.5601 26.7060 26.7968 26.8762 26.9265 27.0258 27.1454 27.3006 27.3563 27.4704 27.5747 27.7862 27.9833 28.0294 28.0845 28.3427 28.4216 28.6070 28.6461 28.7390 28.9198 29.0534 29.1297 29.2394 29.4097 29.5151 29.6343 29.6959 29.7614 29.8939 30.0533 30.1194 30.2893 30.3829 30.6309 30.6689 30.8578 31.0926 31.1628 31.2566 31.3647 31.5602 31.6601 31.7686 31.8794 31.9831 32.0940 32.3181 32.4511 32.5746 32.6595 32.7018 32.7991 32.9657 33.0716 33.2051 33.3015 33.4670 33.5985 33.7268 33.8252 34.0684 34.1862 34.2446 34.4571 34.5538 34.7553 34.8470 34.9558 35.0997 35.1890 35.4228 35.4917 35.5833 35.6799 35.8723 35.9555 36.0164 36.1676 36.2844 36.3898 36.5776 36.6247 36.8147 36.9448 37.1282 37.1674 37.3425 37.4541 37.5360 37.6551 37.8656 37.8960 37.9649 38.2059 38.2335 38.3936 38.4165 38.5586 38.6525 38.8299 38.9306 38.9979 39.0909 39.1625 39.4078 39.5161 39.6396 39.7479 39.8408 39.9117 40.1499 40.1618 40.3768 40.5408 40.6248 40.6984 40.9062 40.9536 41.1077 41.1749 41.3665 41.5593 41.6566 41.7555 41.9341 41.9765 42.2039 42.2944 42.3850 42.4739 42.5750 42.7352 42.8282 42.9669 43.0548 43.2215 43.4082 43.4920 43.5071 43.6842 43.7348 43.8259 44.0862 44.1897 44.3844 44.4748 44.5684 44.6533 44.8283 44.8901 45.0595 45.2457 45.3471 45.4435 45.5412 45.6028 45.6978 45.8486 46.0245 46.1251 46.2721 46.4470 46.5800 46.6933 46.7691 46.8792 46.9557 47.1659 47.2839 47.3265 47.4562 47.5817 47.7921 47.8832 48.0486 48.2226 48.2559 48.4536 48.5951 48.8794 49.0303 49.1375 49.3415 49.4554 49.6637 49.8474 50.0340 50.3507 50.3732 50.5648 50.7468 50.9109 51.3735 51.6570 51.7423 51.8030 52.1244 52.2126 52.4760 52.5780 52.8285 52.9377 53.1036 53.2355 53.4976 53.7630 54.0740 54.3197 54.5832 55.0046 55.2595 55.6859 55.8728 56.2219 56.3516 56.5716 56.6427 56.7781 56.9354 57.0819 57.2327 57.3231 57.6216 57.7866 57.8014 58.1872 58.3724 58.5130 58.7052 59.0422 59.3682 59.5211 59.6259 59.6987 60.0328 60.2675 60.4576 60.6715 60.9592 61.1601 61.3523 61.7244 62.2184 62.6596 62.7830 62.9450 63.4227 63.6714 63.7443 63.9156 64.2034 64.4351 64.4714 64.5559 64.6735 65.0995 65.2250 65.4448 65.6702 65.7371 66.0894 66.2699 66.6643 66.8939 67.0385 67.2681 67.3491 67.5562 67.7678 67.9097 68.0880 68.2716 68.6536 68.8026 69.3110 69.4477 69.7115 69.9051 69.9717 70.4022 70.4652 70.5781 71.1800 71.3163 71.6400 71.9506 72.1284 72.1707 72.6472 72.7885 73.0133 73.0726 73.3239 73.4842 73.6492 73.7661 73.9012 74.0130 74.4219 74.5057 74.7419 74.8672 75.1611 75.2476 75.3147 75.6716 75.6911 76.0930 76.2802 76.5178 76.6068 76.6582 76.8806 76.9150 77.0196 77.2279 77.3433 77.5309 77.7168 77.9232 77.9869 78.0895 78.2839 78.3457 78.3977 78.5932 78.7626 78.9695 79.0404 79.1477 79.3054 79.3231 79.4039 79.4258 79.5870 79.7000 79.7707 79.9171 79.9511 80.0262 80.1220 80.3010 80.5025 80.5816 80.7851 80.8914 81.0107 81.0973 81.2322 81.5095 81.6325 81.7243 81.8072 81.9917 82.0852 82.2557 82.3114 82.5258 82.5839 82.7136 82.9986 83.0737 83.2015 83.3512 83.5132 83.5266 83.6545 83.7989 83.8537 84.0277 84.1333 84.4838 84.5194 84.6456 84.7694 84.8232 84.8979 85.0880 85.1099 85.2382 85.3368 85.5248 85.5804 85.6042 85.6958 85.7308 85.8506 85.9020 86.0424 86.1378 86.3231 86.4210 86.4532 86.6517 86.7897 86.8888 86.9129 87.0359 87.4263 87.5927 87.6761 87.8139 87.9058 88.0646 88.1849 88.2810 88.3776 88.6360 88.6756 88.9064 88.9750 89.0122 89.0700 89.2480 89.3213 89.4738 89.5618 89.6351 89.6515 89.7937 90.0107 90.1853 90.2408 90.3140 90.4779 90.6560 90.6941 90.8334 91.0124 91.0739 91.2419 91.4044 91.7192 91.7752 92.0957 92.1441 92.2621 92.3845 92.4520 92.7456 92.7785 92.8309 93.0250 93.0748 93.1225 93.2579 93.3264 93.3628 93.4660 93.5043 93.7029 93.7716 93.8853 93.9469 94.0498 94.1684 94.3726 94.4659 94.6178 94.8080 94.8904 95.0819 95.1115 95.3491 95.4509 95.4823 95.5963 95.6362 95.7661 95.9685 96.0423 96.1043 96.2705 96.6221 96.7381 96.8340 96.9777 97.0672 97.2933 97.3063 97.4696 97.4834 97.5900 97.8050 97.9340 98.0042 98.1004 98.3225 98.4770 98.5392 98.6498 98.7803 99.0030 99.0230 99.2440 99.3489 99.4078 99.5261 99.6306 99.8256 99.8675 100.0272 100.2536 100.3642 100.4432 100.6003 100.7501 100.8345 101.2119 101.5107 101.5434 101.7449 101.9535 102.0353 102.1450 102.2831 102.5705 102.7596 102.9748 103.0488 103.1519 103.2376 103.6516 103.8352 104.0110 104.1780 104.2847 104.5688 104.7987 105.0326 105.1240 105.2658 105.3197 105.3934 105.5372 105.6526 105.7137 105.8025 105.8856 106.2112 106.2658 106.3735 106.4191 106.6680 106.6933 106.8957 107.0463 107.0873 107.3698 107.5152 107.5678 107.7428 107.8044 107.8732 108.1827 108.2189 108.3896 108.4140 108.5440 108.8644 108.9007 109.0678 109.2087 109.4355 109.6632 109.7252 109.7807 109.8915 110.0177 110.2362 110.2871 110.5120 110.5773 110.6595 110.8300 110.9095 111.0657 111.2166 111.2658 111.4892 111.6174 111.7138 111.8494 112.1537 112.1850 112.2216 112.5590 112.8062 112.9815 113.1224 113.3641 113.5340 113.6374 113.8577 113.9463 114.1999 114.2743 114.4065 114.4245 114.6886 114.7693 114.8245 114.9049 115.0234 115.2453 115.3520 115.5541 115.6077 115.8278 115.8795 116.0987 116.1660 116.3301 116.4582 116.5280 116.7757 116.9108 117.0837 117.1567 117.3558 117.4421 117.4824 117.7807 117.9724 118.1343 118.1979 118.2656 118.3118 118.3998 118.5101 118.5861 118.7309 118.7884 118.9394 119.1482 119.3496 119.4142 119.6375 119.8003 119.8703 119.9692 120.1042 120.3076 120.4702 120.6850 120.9345 121.0946 121.1299 121.1669 121.6026 121.6906 121.7140 122.1041 122.2003 122.5219 122.6835 122.8432 123.0852 123.1949 123.3056 123.5796 123.7084 123.7975 123.8345 124.0870 124.2406 124.5587 124.7245 125.1213 125.5434 125.6239 125.9957 126.2013 126.2762 126.4170 126.5804 126.6707 127.0134 127.1436 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