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 Cl Cl 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 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 1 1 2 2 2 2 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 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 461.18849999999964 AuxInfo=1/0/N:27,23,33,31,32,25,22,29,30,26,13,14,15,16,21,20,10,19,11,18,28,24,17,12,8,9,1,2,7,4,5,6,3/E:(4,5)(8,9)(11,12)(13,14)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,24.3,29.1,30.1/rA:54nClClOO1OON1CCCC3C3C3C3C3C3CC3C3C2C3C3CC3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s1s2s8;s8s9;s8;s3s4s8;s11;s11;s13;s14;s3;s5s15s16;s17;s7s17;s19;s19;s5;s6s21;s22;s24s25;s23;s6;s28;s28;s29;s30;s31s32;s10;s10;s13;s14;s15;s16;s17;s21;s22;s23;s23;s25;s26;s27;s27;s27;s29;s30;s31;s32;s33;/rC:-4.1473,-2.7637,.522;-5.3319,-.1329,.1881;-2.2973,1.209,.4915;-2.7215,1.541,-1.6805;2.3286,-2.8796,.1103;2.5973,.6309,-.0483;-1.7158,3.0108,3.1884;-2.7775,-.6861,-.7756;-4.0986,-1.2565,-.3542;-3.7318,-1.2544,-1.7891;-1.4773,-1.3621,-.4899;-2.628,.8074,-.7359;-.6149,-1.6332,-1.5495;-1.0444,-1.6167,.8044;.649,-2.1422,-1.324;.22,-2.1364,1.0464;-1.7834,2.532,.6213;1.0795,-2.394,-.0204;-.3955,2.6401,.0321;-1.7571,2.7881,2.0608;.5288,1.6375,.2911;-.0598,3.7215,-.7689;2.8887,-2.9991,1.415;1.7895,1.7024,-.2838;1.2142,3.786,-1.3152;2.1425,2.7801,-1.0894;4.3107,-3.4816,1.2759;3.9623,.7228,-.1518;4.6084,-.2603,-.8859;4.6812,1.7083,.5124;5.9953,-.2633,-.9457;6.0665,1.7004,.4331;6.7282,.7165,-.2908;-3.4655,-2.2043,-2.2348;-4.2616,-.5771,-2.447;-.9313,-1.4338,-2.5659;-1.6871,-1.4034,1.6485;1.3134,-2.3412,-2.1555;.5173,-2.3238,2.0689;-2.4539,3.2682,.167;.2821,.7941,.9251;-.7847,4.4991,-.971;2.8584,-2.0299,1.9229;2.3059,-3.7072,2.0121;1.486,4.6224,-1.9449;3.1203,2.8412,-1.5487;4.9234,-2.7753,.715;4.3587,-4.4533,.7838;4.7498,-3.5896,2.2672;4.0313,-1.0201,-1.3968;4.1726,2.4691,1.0913;6.5011,-1.0339,-1.5124;6.6308,2.4648,.9507;7.8088,.7121,-.3403; 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 1852 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 250 Dim 1339 ENuc 3753.3836209612 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 5.646e-06 Time for diagonalization 0.435 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.368 sec Total time needed 0.810 sec 17 17 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 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 1 461.18849999999964 AuxInfo=1/0/N:27,23,33,31,32,25,22,29,30,26,13,14,15,16,21,20,10,19,11,18,28,24,17,12,8,9,1,2,7,4,5,6,3/E:(4,5)(8,9)(11,12)(13,14)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,24.3,29.1,30.1/rA:54nClClOO1OON1CCCC3C3C3C3C3C3CC3C3C2C3C3CC3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s1s2s8;s8s9;s8;s3s4s8;s11;s11;s13;s14;s3;s5s15s16;s17;s7s17;s19;s19;s5;s6s21;s22;s24s25;s23;s6;s28;s28;s29;s30;s31s32;s10;s10;s13;s14;s15;s16;s17;s21;s22;s23;s23;s25;s26;s27;s27;s27;s29;s30;s31;s32;s33;/rC:-4.1473,-2.7637,.522;-5.3319,-.1329,.1881;-2.2973,1.209,.4915;-2.7215,1.541,-1.6805;2.3286,-2.8796,.1103;2.5973,.6309,-.0483;-1.7158,3.0108,3.1884;-2.7775,-.6861,-.7756;-4.0986,-1.2565,-.3542;-3.7318,-1.2544,-1.7891;-1.4773,-1.3621,-.4899;-2.628,.8074,-.7359;-.6149,-1.6332,-1.5495;-1.0444,-1.6167,.8044;.649,-2.1422,-1.324;.22,-2.1364,1.0464;-1.7834,2.532,.6213;1.0795,-2.394,-.0204;-.3955,2.6401,.0321;-1.7571,2.7881,2.0608;.5288,1.6375,.2911;-.0598,3.7215,-.7689;2.8887,-2.9991,1.415;1.7895,1.7024,-.2838;1.2142,3.786,-1.3152;2.1425,2.7801,-1.0894;4.3107,-3.4816,1.2759;3.9623,.7228,-.1518;4.6084,-.2603,-.8859;4.6812,1.7083,.5124;5.9953,-.2633,-.9457;6.0665,1.7004,.4331;6.7282,.7165,-.2908;-3.4655,-2.2043,-2.2348;-4.2616,-.5771,-2.447;-.9313,-1.4338,-2.5659;-1.6871,-1.4034,1.6485;1.3134,-2.3412,-2.1555;.5173,-2.3238,2.0689;-2.4539,3.2682,.167;.2821,.7941,.9251;-.7847,4.4991,-.971;2.8584,-2.0299,1.9229;2.3059,-3.7072,2.0121;1.486,4.6224,-1.9449;3.1203,2.8412,-1.5487;4.9234,-2.7753,.715;4.3587,-4.4533,.7838;4.7498,-3.5896,2.2672;4.0313,-1.0201,-1.3968;4.1726,2.4691,1.0913;6.5011,-1.0339,-1.5124;6.6308,2.4648,.9507;7.8088,.7121,-.3403; 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" 461.18849999999964 AuxInfo=1/0/N:27,23,33,31,32,25,22,29,30,26,13,14,15,16,21,20,10,19,11,18,28,24,17,12,8,9,1,2,7,4,5,6,3/E:(4,5)(8,9)(11,12)(13,14)(27,28)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,24.3,29.1,30.1/rA:54nClClOO1OON1CCCC3C3C3C3C3C3CC3C3C2C3C3CC3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s1s2s8;s8s9;s8;s3s4s8;s11;s11;s13;s14;s3;s5s15s16;s17;s7s17;s19;s19;s5;s6s21;s22;s24s25;s23;s6;s28;s28;s29;s30;s31s32;s10;s10;s13;s14;s15;s16;s17;s21;s22;s23;s23;s25;s26;s27;s27;s27;s29;s30;s31;s32;s33;/rC:-4.1473,-2.7637,.522;-5.3319,-.1329,.1881;-2.2973,1.209,.4915;-2.7215,1.541,-1.6805;2.3286,-2.8796,.1103;2.5973,.6309,-.0483;-1.7158,3.0108,3.1884;-2.7775,-.6861,-.7756;-4.0986,-1.2565,-.3542;-3.7318,-1.2544,-1.7891;-1.4773,-1.3621,-.4899;-2.628,.8074,-.7359;-.6149,-1.6332,-1.5495;-1.0444,-1.6167,.8044;.649,-2.1422,-1.324;.22,-2.1364,1.0464;-1.7834,2.532,.6213;1.0795,-2.394,-.0204;-.3955,2.6401,.0321;-1.7571,2.7881,2.0608;.5288,1.6375,.2911;-.0598,3.7215,-.7689;2.8887,-2.9991,1.415;1.7895,1.7024,-.2838;1.2142,3.786,-1.3152;2.1425,2.7801,-1.0894;4.3107,-3.4816,1.2759;3.9623,.7228,-.1518;4.6084,-.2603,-.8859;4.6812,1.7083,.5124;5.9953,-.2633,-.9457;6.0665,1.7004,.4331;6.7282,.7165,-.2908;-3.4655,-2.2043,-2.2348;-4.2616,-.5771,-2.447;-.9313,-1.4338,-2.5659;-1.6871,-1.4034,1.6485;1.3134,-2.3412,-2.1555;.5173,-2.3238,2.0689;-2.4539,3.2682,.167;.2821,.7941,.9251;-.7847,4.4991,-.971;2.8584,-2.0299,1.9229;2.3059,-3.7072,2.0121;1.486,4.6224,-1.9449;3.1203,2.8412,-1.5487;4.9234,-2.7753,.715;4.3587,-4.4533,.7838;4.7498,-3.5896,2.2672;4.0313,-1.0201,-1.3968;4.1726,2.4691,1.0913;6.5011,-1.0339,-1.5124;6.6308,2.4648,.9507;7.8088,.7121,-.3403; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 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 3143 GEPOL Volume 3293.9808 GEPOL Surface-area 1799.2722 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2279.54483761 3753.38362096 -6032.92845857 -10589.80983337 4556.88137479 -0.04074621 -4551.97697456 2272.43213696 2.00312999 124.999982800050 124.999982800050 249.999965600100 -173.459138313036 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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716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 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 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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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22.7136 22.7678 22.8674 22.9824 23.1544 23.1745 23.3134 23.3682 23.5759 23.5965 23.6637 23.9182 24.0542 24.1679 24.2783 24.4649 24.5277 24.6980 24.7968 25.0070 25.1079 25.2022 25.3242 25.4832 25.6045 25.7657 25.8015 25.9484 26.0193 26.0897 26.3957 26.4226 26.6534 26.7989 26.8787 26.9734 27.0498 27.1956 27.3250 27.4169 27.5032 27.8985 27.9037 27.9414 28.0398 28.1161 28.3173 28.4039 28.4717 28.8029 28.9096 29.0679 29.1062 29.1901 29.3559 29.4411 29.5202 29.7205 29.8091 29.8785 29.9809 30.0459 30.1707 30.2530 30.6008 30.6696 30.7215 30.8994 31.0556 31.2329 31.2879 31.3618 31.4816 31.5648 31.6773 31.7183 32.0843 32.1633 32.1928 32.2575 32.3692 32.4189 32.5461 32.7718 32.8702 33.0040 33.0568 33.1983 33.2504 33.3318 33.4319 33.6063 33.6476 33.6924 33.7311 34.0168 34.1245 34.2310 34.2863 34.3601 34.5331 34.6641 34.7031 34.8953 35.0482 35.1197 35.2749 35.3746 35.4881 35.7451 35.7929 35.8779 36.0329 36.0568 36.1556 36.3496 36.5270 36.6423 36.7960 36.9457 37.0510 37.0916 37.2127 37.4359 37.5410 37.6795 37.8809 37.9259 37.9930 38.1120 38.4072 38.4785 38.5461 38.6830 38.7871 38.8264 38.9766 39.0719 39.1966 39.2176 39.3092 39.4102 39.4783 39.6621 39.7804 39.8775 40.0365 40.0603 40.1733 40.4056 40.5513 40.6249 40.7120 40.9027 40.9827 41.0959 41.1749 41.4266 41.5220 41.6016 41.7256 41.8431 42.0144 42.1641 42.3092 42.3415 42.4666 42.5291 42.6081 42.6644 42.9248 43.0004 43.1722 43.2976 43.3206 43.5223 43.7197 43.7740 43.8570 44.0470 44.0695 44.1090 44.3511 44.5126 44.6749 44.7445 44.8060 44.9062 45.0229 45.2437 45.4270 45.5510 45.8465 45.8784 45.9222 46.1201 46.3495 46.4145 46.6126 46.6315 46.7927 46.8632 47.0450 47.0976 47.3594 47.4150 47.5963 47.6827 47.7562 47.8924 48.0211 48.0846 48.3451 48.4873 48.5750 48.6327 48.8583 48.9142 49.1122 49.2952 49.3789 49.4835 49.6598 49.8711 50.0282 50.1711 50.4172 50.5213 50.6481 50.9456 51.0784 51.2996 51.4230 51.5389 51.7209 51.7561 51.8673 51.9576 52.1169 52.4117 52.5063 52.5904 52.8249 53.0101 53.0536 53.1637 53.3694 53.4947 53.8133 54.0281 54.0554 54.2480 54.4644 54.5846 54.7292 54.8979 55.1857 55.2786 55.6315 55.7042 55.8890 56.1062 56.2206 56.3068 56.5423 56.7157 56.7919 56.8812 56.9534 57.2316 57.3623 57.4845 57.5278 57.7480 57.9071 58.0080 58.1359 58.2062 58.2951 58.5114 58.6690 58.8498 58.9055 59.0673 59.3566 59.4980 59.5648 59.7782 59.9122 59.9755 60.0731 60.1240 60.5647 60.6330 60.7523 61.0452 61.1776 61.4233 61.6181 61.6774 61.9272 62.0384 62.2510 62.5585 62.7066 62.8885 63.1821 63.2408 63.5212 63.6066 63.6730 63.7836 63.8500 63.9085 64.1859 64.3017 64.4037 64.6062 64.8436 64.9424 65.1523 65.2347 65.3563 65.4602 65.5781 65.7061 65.8700 66.2032 66.3221 66.5758 66.7841 66.8389 67.0952 67.2993 67.4541 67.5677 67.6982 67.7894 67.8618 68.0689 68.2877 68.4691 68.5390 68.6887 68.8240 69.2008 69.2783 69.5100 69.5646 70.1077 70.1738 70.2236 70.4428 70.5520 70.7062 70.9187 71.6216 71.9776 72.0839 72.2868 72.4134 72.5908 72.7550 73.1707 73.5109 73.5616 73.6542 73.8968 73.9586 74.1329 74.5939 74.6896 74.8646 75.0377 75.2576 75.4491 75.5012 75.8685 75.9219 76.0949 76.2397 76.3782 76.5844 76.7531 76.8363 77.0029 77.1651 77.3567 77.4760 77.4829 77.5526 77.8339 77.9743 78.0840 78.1493 78.1776 78.4317 78.5768 78.7019 78.8783 78.9389 79.0408 79.2022 79.3335 79.4309 79.4553 79.5504 79.7111 79.8600 80.0985 80.1192 80.1627 80.4150 80.5199 80.5621 80.7846 81.0601 81.0895 81.1265 81.3914 81.5591 81.5875 81.7095 81.8649 82.0358 82.1893 82.3985 82.4399 82.5605 82.7046 82.7388 82.8041 83.0648 83.2600 83.2839 83.3807 83.5765 83.7473 83.7918 83.9108 83.9869 84.1512 84.3180 84.5388 84.5977 84.6490 84.6943 84.8291 84.9010 85.0859 85.1660 85.2741 85.3952 85.4644 85.5845 85.6286 85.7547 85.8498 85.9561 85.9983 86.1253 86.1476 86.2010 86.2600 86.4431 86.5430 86.7341 86.7575 86.9176 86.9856 87.2009 87.2118 87.3264 87.6219 87.7430 87.8270 87.8846 88.1507 88.1910 88.2870 88.3600 88.5499 88.6074 88.6426 88.7264 88.8482 89.0099 89.1859 89.2587 89.2901 89.4396 89.5480 89.6104 89.6660 89.8608 89.8918 90.0314 90.1554 90.2003 90.4244 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