Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 53 54 55 56 57 S O O O N N 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 H H H H H H H 1 2 2 2 3 3 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 5 5 5 5 5 5 5 5 5 348.29059999999976 AuxInfo=1/0/N:24,25,11,12,26,21,22,19,20,15,13,16,17,18,8,9,14,10,23,7,6,5,4,3,2,1/E:(1,2)(3,4)(6,7)(8,9)(13,14)/CRV:10.3,11.3,12.3,16.3,17.3,18.3,19.3,23.1/rA:58nSOOO1NNCCC3C3CCC3C3C3C3CCCCCCC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s1;s2;s7;s8;s2s9;s7;s7;s9;s3s10;s13;s14s15;s5;s5;s17;s18;s19;s20;s3s4s6;s21;s22;s6;s8;s8;s11;s11;s11;s12;s12;s12;s13;s15;s16;s17;s17;s18;s18;s19;s19;s20;s20;s21;s21;s22;s22;s24;s24;s24;s25;s25;s25;s26;s26;s26;/rC:-1.8407,1.326,1.1931;2.2418,-1.2589,1.8494;.3765,-.0278,.0737;-.3696,-2.1321,.3372;-2.4529,2.0571,-.1555;-1.6815,-.3687,.9073;3.2719,-2.1594,2.3674;4.4228,-2.0686,1.3389;3.7269,-1.5211,.1299;2.4826,-1.0717,.544;2.6707,-3.554,2.4051;3.657,-1.6706,3.7456;4.1132,-1.3862,-1.1899;1.596,-.5023,-.3514;3.2285,-.8012,-2.0939;1.9762,-.3666,-1.6779;-3.8622,1.8754,-.4827;-1.5716,2.3404,-1.2859;-4.1796,.6967,-1.3968;-.3725,3.2002,-.9219;-5.6798,.5279,-1.6026;.4944,3.5075,-2.1366;-.5439,-.9403,.4373;-6.0195,-.6346,-2.5223;1.7369,4.3081,-1.7787;-2.7471,-1.2756,1.3153;4.8845,-3.0421,1.168;5.2116,-1.3902,1.6777;3.3937,-4.2654,2.8062;2.3873,-3.8959,1.4074;1.7838,-3.5841,3.04;4.0381,-.649,3.7124;4.4415,-2.3057,4.1584;2.8098,-1.7015,4.4327;5.0855,-1.7299,-1.52;3.5105,-.6897,-3.1323;1.2859,.0775,-2.3847;-4.2137,2.7993,-.9545;-4.4109,1.7768,.4565;-2.177,2.8763,-2.0222;-1.2405,1.4185,-1.7786;-3.6941,.8371,-2.3677;-3.7678,-.2244,-.9761;-.7245,4.1337,-.4723;.2348,2.6998,-.1644;-6.1008,1.452,-2.0109;-6.1629,.3771,-.6321;.7943,2.5703,-2.6162;-.0937,4.0539,-2.8804;-5.6343,-1.5777,-2.1294;-5.5906,-.4941,-3.5165;-7.098,-.7467,-2.6437;2.3714,3.7608,-1.0787;1.4781,5.2601,-1.3108;2.338,4.5298,-2.6618;-3.0312,-1.9494,.5072;-3.6183,-.6876,1.5888;-2.4542,-1.8724,2.1805; 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 1628 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 206 Dim 1265 ENuc 2710.4020196831 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 5.265e-06 Time for diagonalization 0.553 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.276 sec Total time needed 0.836 sec 16 8 8 8 7 7 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 1 1 1 1 1 1 1 348.29059999999976 AuxInfo=1/0/N:24,25,11,12,26,21,22,19,20,15,13,16,17,18,8,9,14,10,23,7,6,5,4,3,2,1/E:(1,2)(3,4)(6,7)(8,9)(13,14)/CRV:10.3,11.3,12.3,16.3,17.3,18.3,19.3,23.1/rA:58nSOOO1NNCCC3C3CCC3C3C3C3CCCCCCC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s1;s2;s7;s8;s2s9;s7;s7;s9;s3s10;s13;s14s15;s5;s5;s17;s18;s19;s20;s3s4s6;s21;s22;s6;s8;s8;s11;s11;s11;s12;s12;s12;s13;s15;s16;s17;s17;s18;s18;s19;s19;s20;s20;s21;s21;s22;s22;s24;s24;s24;s25;s25;s25;s26;s26;s26;/rC:-1.8407,1.326,1.1931;2.2418,-1.2589,1.8494;.3765,-.0278,.0737;-.3696,-2.1321,.3372;-2.4529,2.0571,-.1555;-1.6815,-.3687,.9073;3.2719,-2.1594,2.3674;4.4228,-2.0686,1.3389;3.7269,-1.5211,.1299;2.4826,-1.0717,.544;2.6707,-3.554,2.4051;3.657,-1.6706,3.7456;4.1132,-1.3862,-1.1899;1.596,-.5023,-.3514;3.2285,-.8012,-2.0939;1.9762,-.3666,-1.6779;-3.8622,1.8754,-.4827;-1.5716,2.3404,-1.2859;-4.1796,.6967,-1.3968;-.3725,3.2002,-.9219;-5.6798,.5279,-1.6026;.4944,3.5075,-2.1366;-.5439,-.9403,.4373;-6.0195,-.6346,-2.5223;1.7369,4.3081,-1.7787;-2.7471,-1.2756,1.3153;4.8845,-3.0421,1.168;5.2116,-1.3902,1.6777;3.3937,-4.2654,2.8062;2.3873,-3.8959,1.4074;1.7838,-3.5841,3.04;4.0381,-.649,3.7124;4.4415,-2.3057,4.1584;2.8098,-1.7015,4.4327;5.0855,-1.7299,-1.52;3.5105,-.6897,-3.1323;1.2859,.0775,-2.3847;-4.2137,2.7993,-.9545;-4.4109,1.7768,.4565;-2.177,2.8763,-2.0222;-1.2405,1.4185,-1.7786;-3.6941,.8371,-2.3677;-3.7678,-.2244,-.9761;-.7245,4.1337,-.4723;.2348,2.6998,-.1644;-6.1008,1.452,-2.0109;-6.1629,.3771,-.6321;.7943,2.5703,-2.6162;-.0937,4.0539,-2.8804;-5.6343,-1.5777,-2.1294;-5.5906,-.4941,-3.5165;-7.098,-.7467,-2.6437;2.3714,3.7608,-1.0787;1.4781,5.2601,-1.3108;2.338,4.5298,-2.6618;-3.0312,-1.9494,.5072;-3.6183,-.6876,1.5888;-2.4542,-1.8724,2.1805; 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" 348.29059999999976 AuxInfo=1/0/N:24,25,11,12,26,21,22,19,20,15,13,16,17,18,8,9,14,10,23,7,6,5,4,3,2,1/E:(1,2)(3,4)(6,7)(8,9)(13,14)/CRV:10.3,11.3,12.3,16.3,17.3,18.3,19.3,23.1/rA:58nSOOO1NNCCC3C3CCC3C3C3C3CCCCCCC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s1;s2;s7;s8;s2s9;s7;s7;s9;s3s10;s13;s14s15;s5;s5;s17;s18;s19;s20;s3s4s6;s21;s22;s6;s8;s8;s11;s11;s11;s12;s12;s12;s13;s15;s16;s17;s17;s18;s18;s19;s19;s20;s20;s21;s21;s22;s22;s24;s24;s24;s25;s25;s25;s26;s26;s26;/rC:-1.8407,1.326,1.1931;2.2418,-1.2589,1.8494;.3765,-.0278,.0737;-.3696,-2.1321,.3372;-2.4529,2.0571,-.1555;-1.6815,-.3687,.9073;3.2719,-2.1594,2.3674;4.4228,-2.0686,1.3389;3.7269,-1.5211,.1299;2.4826,-1.0717,.544;2.6707,-3.554,2.4051;3.657,-1.6706,3.7456;4.1132,-1.3862,-1.1899;1.596,-.5023,-.3514;3.2285,-.8012,-2.0939;1.9762,-.3666,-1.6779;-3.8622,1.8754,-.4827;-1.5716,2.3404,-1.2859;-4.1796,.6967,-1.3968;-.3725,3.2002,-.9219;-5.6798,.5279,-1.6026;.4944,3.5075,-2.1366;-.5439,-.9403,.4373;-6.0195,-.6346,-2.5223;1.7369,4.3081,-1.7787;-2.7471,-1.2756,1.3153;4.8845,-3.0421,1.168;5.2116,-1.3902,1.6777;3.3937,-4.2654,2.8062;2.3873,-3.8959,1.4074;1.7838,-3.5841,3.04;4.0381,-.649,3.7124;4.4415,-2.3057,4.1584;2.8098,-1.7015,4.4327;5.0855,-1.7299,-1.52;3.5105,-.6897,-3.1323;1.2859,.0775,-2.3847;-4.2137,2.7993,-.9545;-4.4109,1.7768,.4565;-2.177,2.8763,-2.0222;-1.2405,1.4185,-1.7786;-3.6941,.8371,-2.3677;-3.7678,-.2244,-.9761;-.7245,4.1337,-.4723;.2348,2.6998,-.1644;-6.1008,1.452,-2.0109;-6.1629,.3771,-.6321;.7943,2.5703,-2.6162;-.0937,4.0539,-2.8804;-5.6343,-1.5777,-2.1294;-5.5906,-.4941,-3.5165;-7.098,-.7467,-2.6437;2.3714,3.7608,-1.0787;1.4781,5.2601,-1.3108;2.338,4.5298,-2.6618;-3.0312,-1.9494,.5072;-3.6183,-.6876,1.5888;-2.4542,-1.8724,2.1805; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM S O N C H 2.4900 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 3391 GEPOL Volume 2778.0293 GEPOL Surface-area 1590.0341 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 1.2s -1514.92711704 2710.40201968 -4225.32913672 -7460.11794963 3234.78881291 -0.02730180 -3024.02180038 1509.09468334 2.00386486 103.000062665228 103.000062665228 206.000125330455 -129.012688072572 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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966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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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13.1581 13.2444 13.3529 13.3946 13.5026 13.5662 13.6564 13.6905 13.8141 13.8296 13.9910 14.0523 14.1190 14.1519 14.2644 14.3152 14.4249 14.4415 14.5817 14.6584 14.7327 14.7506 14.8246 14.8599 14.9829 15.0149 15.0744 15.1495 15.1688 15.2277 15.2694 15.3456 15.4320 15.4729 15.5379 15.6181 15.6988 15.7470 15.7914 15.9046 16.0256 16.0809 16.2589 16.2675 16.3640 16.5030 16.6165 16.8082 16.9114 16.9752 17.0924 17.1181 17.2564 17.4309 17.4990 17.6694 17.7207 17.8044 17.9489 18.0502 18.0553 18.2819 18.4467 18.5178 18.6009 18.7346 19.0316 19.0979 19.2285 19.3632 19.4197 19.5729 19.7338 19.8442 19.9310 20.0985 20.2944 20.3801 20.6111 20.8276 21.0560 21.2084 21.3383 21.5077 21.5703 21.7534 21.9135 22.1033 22.2341 22.3627 22.4816 22.4863 22.7283 22.8701 23.0044 23.2098 23.3556 23.4026 23.6043 23.7525 23.8796 24.0168 24.0636 24.1972 24.2998 24.5395 24.6271 24.8291 24.8848 25.0008 25.0743 25.1967 25.3575 25.3984 25.4720 25.5784 25.8058 25.9261 26.1540 26.2015 26.3331 26.6354 26.6663 26.7447 27.0012 27.0445 27.0935 27.2021 27.4380 27.5058 27.7481 27.8030 27.8953 28.0140 28.1576 28.3414 28.3619 28.5654 28.6060 28.7048 28.7544 28.9224 29.0159 29.1114 29.2950 29.3938 29.4318 29.5106 29.7479 29.7599 29.8905 30.1117 30.2160 30.3464 30.3968 30.4049 30.5685 30.8327 30.9385 31.0017 31.1471 31.3835 31.5298 31.5848 31.7859 31.9586 31.9614 32.0481 32.1192 32.2092 32.2398 32.4510 32.6155 32.8025 32.8344 33.1525 33.1906 33.3377 33.4765 33.5107 33.5986 33.8149 33.8698 33.9775 34.0795 34.1755 34.3611 34.4010 34.6077 34.7195 34.8362 34.9713 35.1172 35.1642 35.3247 35.3883 35.6040 35.6860 35.8315 35.9196 36.0650 36.1822 36.2870 36.3892 36.6002 36.6942 36.8467 37.0195 37.1621 37.2643 37.2900 37.4144 37.6333 37.7202 37.8645 37.9677 38.0783 38.1686 38.2625 38.4456 38.5762 38.7153 38.7860 38.9037 39.1351 39.3153 39.4304 39.5266 39.6133 39.8050 39.8888 40.0214 40.1262 40.3156 40.4415 40.5166 40.6845 40.8217 40.9430 40.9723 41.0997 41.2493 41.3517 41.4955 41.5818 41.6684 41.7546 41.9577 41.9985 42.0903 42.2572 42.3280 42.4451 42.4929 42.5480 42.6497 42.6580 42.7590 42.8241 43.0167 43.0532 43.1242 43.3274 43.4353 43.5972 43.6915 43.7629 43.8583 44.1078 44.1987 44.2523 44.4443 44.5021 44.5409 44.6344 44.7873 44.8872 44.9784 45.0811 45.2137 45.3564 45.3964 45.5722 45.6128 45.7371 45.8200 45.9810 46.2178 46.2629 46.5220 46.6091 46.6720 46.8354 46.8950 46.9878 47.1248 47.2058 47.2953 47.3761 47.5441 47.7424 47.9912 48.0413 48.0910 48.1713 48.2423 48.5881 48.7265 48.8142 48.9041 49.0825 49.2746 49.3628 49.5849 49.7037 50.0588 50.2455 50.5097 50.6581 50.7279 50.8891 51.2360 51.3378 51.8504 52.0462 52.1993 52.2499 52.6306 52.6849 53.1002 53.1757 53.3149 53.8355 53.9826 54.1507 54.3345 54.4312 54.6308 54.9682 55.3426 55.4115 55.9146 56.0565 56.4552 56.5530 57.2111 57.4091 57.6096 57.6589 57.8620 58.0687 58.2058 58.2764 58.4191 58.6704 58.8496 58.9048 59.3500 59.4239 59.6084 59.7527 60.0429 60.1270 60.2619 60.5048 60.7378 60.8347 60.9269 61.2798 61.4716 61.8945 61.9352 62.0556 62.2365 62.7020 62.7432 63.1671 63.5118 63.6801 64.0408 64.1168 64.4491 64.6063 64.7075 64.8751 65.0160 65.3571 65.5076 66.1296 66.2470 66.3134 66.3272 66.7939 67.4954 67.7150 67.9331 68.0865 68.3507 68.4688 68.9893 69.1296 69.2547 69.4210 69.6155 69.8860 70.0551 70.4015 70.4802 70.5037 70.9980 71.3470 71.3532 71.4712 71.5497 71.7893 72.0336 72.2812 72.3913 72.4859 72.6178 72.8063 73.0213 73.1026 73.1388 73.2324 73.3566 73.4983 73.5521 73.8998 74.1568 74.3004 74.4103 74.5747 74.8680 75.1767 75.3882 75.6254 75.7876 76.0651 76.1392 76.2729 76.6494 76.7558 76.8419 77.0104 77.0893 77.2886 77.4162 77.6398 77.8325 77.8956 77.9346 78.0583 78.2010 78.5767 78.6894 78.7037 78.8339 79.1604 79.2915 79.3904 79.4996 79.5150 79.6820 79.7914 79.9464 79.9899 80.1135 80.2167 80.3882 80.5264 80.7139 80.9364 81.1581 81.2290 81.4073 81.4853 81.5802 81.6243 81.7311 81.7920 81.8837 81.9426 82.1014 82.3256 82.3672 82.5083 82.6227 82.7557 83.0403 83.0878 83.2726 83.5328 83.7029 83.8077 83.8512 83.9231 84.0876 84.2485 84.3267 84.5549 84.6288 84.8706 85.0302 85.1178 85.1859 85.2888 85.3889 85.5470 85.6671 85.8264 85.9052 86.0096 86.2499 86.3194 86.3637 86.6343 86.6750 86.8127 86.9152 87.0002 87.1639 87.2537 87.4026 87.5121 87.5874 87.6591 87.7241 87.8616 88.1309 88.1538 88.3049 88.4066 88.5378 88.7434 88.8690 89.0038 89.0834 89.1425 89.2005 89.3013 89.3029 89.5020 89.6664 89.7557 89.8221 89.9190 90.0052 90.0278 90.3337 90.3897 90.4379 90.5068 90.6088 90.7445 90.7834 90.9112 91.1379 91.1547 91.4069 91.4356 91.6846 91.8368 91.9234 92.0379 92.2652 92.3912 92.4970 92.6302 92.6490 92.7980 92.8822 93.0180 93.1621 93.2580 93.2995 93.5458 93.6298 93.9201 94.0148 94.0912 94.2459 94.4030 94.4813 94.5268 94.6099 94.7552 94.8412 95.0323 95.1043 95.2510 95.4138 95.4653 95.6908 95.7637 95.9567 96.0096 96.1538 96.2308 96.5656 96.6721 96.8782 96.9664 97.2145 97.3230 97.4170 97.5439 97.6910 97.8533 97.8827 97.9088 98.2188 98.4938 98.5401 98.7564 98.9783 99.1832 99.2966 99.3913 99.4926 99.5237 99.5982 99.8425 99.9038 100.0539 100.1351 100.2519 100.4103 100.4935 100.6780 100.9068 101.0580 101.0993 101.1130 101.4665 101.5036 101.8226 101.8900 102.0682 102.1441 102.2710 102.2968 102.4603 102.7309 102.8590 102.9353 103.0966 103.2054 103.3805 103.5129 103.5307 103.8621 104.0808 104.1798 104.3670 104.6802 104.7299 104.8838 104.9994 105.1053 105.2095 105.4004 105.6409 105.7511 105.8284 105.9547 106.0493 106.1859 106.3665 106.8057 106.8765 107.0925 107.1680 107.3409 107.4097 107.5492 107.8706 107.9696 108.1868 108.3900 108.4800 108.5918 108.6205 108.7877 108.9682 109.0284 109.2874 109.4331 109.5456 109.5870 109.6816 109.8266 110.1472 110.2811 110.5127 110.6454 110.7006 110.7895 110.8219 110.9821 111.1578 111.3155 111.3898 111.4253 111.5311 111.7354 111.8493 111.9307 111.9827 112.1676 112.2626 112.3609 112.5806 112.6778 112.6971 112.7802 113.0395 113.2471 113.4904 113.5711 113.6876 113.7220 113.7923 113.8956 114.1944 114.2279 114.3519 114.4172 114.5447 114.6202 114.7681 114.9261 114.9656 115.0156 115.1617 115.2014 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133.5962 133.7451 133.8721 133.9084 134.0562 134.2603 135.0182 135.0881 135.4434 135.5447 135.7374 136.1600 136.2455 136.7230 136.9083 136.9174 137.1029 137.2838 137.3531 137.3872 137.5186 137.8506 138.2415 138.3695 138.4516 138.6868 138.7964 139.3791 139.4324 139.5957 139.7601 139.9530 140.3201 140.3788 140.5541 140.8148 141.0422 141.3986 141.6218 141.8393 142.1211 142.3987 142.5116 142.7763 143.2471 143.3373 143.8455 143.9447 144.2678 144.4184 144.6020 144.9423 145.1153 145.2518 145.2797 145.6272 145.7639 145.8454 146.0056 146.1498 146.2448 146.4010 146.4076 146.4886 146.7171 146.8271 146.9464 147.2577 147.3684 147.8364 147.9435 148.0178 148.4116 148.5338 148.7959 148.8490 148.9626 149.0098 149.1264 149.2851 149.4584 149.7365 149.7944 149.8891 149.9409 150.1801 150.2522 150.4194 150.4950 150.8341 150.8818 151.0381 151.4148 151.5519 151.6965 151.8614 152.1822 152.3989 152.8625 153.0985 153.2154 153.2981 153.3932 153.5080 153.7274 153.9143 154.0863 154.2107 154.3476 154.5860 154.7664 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