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:-3.5756,-3.0923,-.3252;-4.9986,-.5766,-.4755;-1.7046,1.0291,.6802;-2.7504,1.6124,-1.203;2.5415,-3.1283,1.0167;2.6575,2.3798,-1.5791;-.8069,2.3904,3.5391;-2.2013,-.6992,-.8083;-3.5243,-1.4347,-.872;-2.8158,-1.1164,-2.1235;-.9813,-1.3922,-.302;-2.2721,.7673,-.4973;.1135,-1.5691,-1.1427;-.8778,-1.8075,1.0192;1.2799,-2.1489,-.6794;.2842,-2.392,1.4997;-1.5337,2.393,1.0294;1.3746,-2.5668,.6483;-.4607,3.0797,.2117;-1.1331,2.3716,2.4368;.6173,2.3538,-.2797;-.5566,4.4475,.0018;2.7396,-3.4799,2.3826;1.6063,3.0214,-.9889;.4446,5.0985,-.7033;1.5296,4.3931,-1.1961;4.1449,-4.0069,2.5289;3.2835,1.3015,-1.0083;3.8677,.4046,-1.8934;3.4155,1.1297,.3643;4.6009,-.664,-1.4005;4.1374,.0434,.8418;4.7366,-.8529,-.0321;-2.3412,-1.9334,-2.6516;-3.2338,-.3472,-2.7599;.0587,-1.2475,-2.1755;-1.711,-1.6776,1.698;2.123,-2.2829,-1.345;.3197,-2.7055,2.5338;-2.4766,2.9453,.9592;.6843,1.2836,-.1243;-1.4063,4.9986,.384;2.5901,-2.6037,3.0213;2.0129,-4.2403,2.685;.3796,6.1647,-.8727;2.3094,4.8982,-1.7513;4.3108,-4.886,1.906;4.3139,-4.2969,3.5655;4.8858,-3.2502,2.2686;3.7588,.5533,-2.9603;2.9776,1.8308,1.0629;5.0599,-1.3561,-2.0942;4.2394,-.0914,1.9108;5.3064,-1.689,.3503; 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 3777.6479034561 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 5.384e-06 Time for diagonalization 0.428 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.359 sec Total time needed 0.794 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:-3.5756,-3.0923,-.3252;-4.9986,-.5766,-.4755;-1.7046,1.0291,.6802;-2.7504,1.6124,-1.203;2.5415,-3.1283,1.0167;2.6575,2.3798,-1.5791;-.8069,2.3904,3.5391;-2.2013,-.6992,-.8083;-3.5243,-1.4347,-.872;-2.8158,-1.1164,-2.1235;-.9813,-1.3922,-.302;-2.2721,.7673,-.4973;.1135,-1.5691,-1.1427;-.8778,-1.8075,1.0192;1.2799,-2.1489,-.6794;.2842,-2.392,1.4997;-1.5337,2.393,1.0294;1.3746,-2.5668,.6483;-.4607,3.0797,.2117;-1.1331,2.3716,2.4368;.6173,2.3538,-.2797;-.5566,4.4475,.0018;2.7396,-3.4799,2.3826;1.6063,3.0214,-.9889;.4446,5.0985,-.7033;1.5296,4.3931,-1.1961;4.1449,-4.0069,2.5289;3.2835,1.3015,-1.0083;3.8677,.4046,-1.8934;3.4155,1.1297,.3643;4.6009,-.664,-1.4005;4.1374,.0434,.8418;4.7366,-.8529,-.0321;-2.3412,-1.9334,-2.6516;-3.2338,-.3472,-2.76;.0587,-1.2475,-2.1755;-1.711,-1.6776,1.698;2.123,-2.2829,-1.345;.3197,-2.7055,2.5338;-2.4766,2.9453,.9592;.6843,1.2836,-.1243;-1.4063,4.9986,.384;2.5901,-2.6037,3.0213;2.0129,-4.2403,2.685;.3796,6.1647,-.8727;2.3094,4.8982,-1.7513;4.3108,-4.886,1.906;4.3139,-4.2969,3.5655;4.8858,-3.2502,2.2686;3.7588,.5533,-2.9603;2.9776,1.8308,1.0629;5.0599,-1.3561,-2.0942;4.2394,-.0914,1.9108;5.3064,-1.689,.3503; 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:-3.5756,-3.0923,-.3252;-4.9986,-.5766,-.4755;-1.7046,1.0291,.6802;-2.7504,1.6124,-1.203;2.5415,-3.1283,1.0167;2.6575,2.3798,-1.5791;-.8069,2.3904,3.5391;-2.2013,-.6992,-.8083;-3.5243,-1.4347,-.872;-2.8158,-1.1164,-2.1235;-.9813,-1.3922,-.302;-2.2721,.7673,-.4973;.1135,-1.5691,-1.1427;-.8778,-1.8075,1.0192;1.2799,-2.1489,-.6794;.2842,-2.392,1.4997;-1.5337,2.393,1.0294;1.3746,-2.5668,.6483;-.4607,3.0797,.2117;-1.1331,2.3716,2.4368;.6173,2.3538,-.2797;-.5566,4.4475,.0018;2.7396,-3.4799,2.3826;1.6063,3.0214,-.9889;.4446,5.0985,-.7033;1.5296,4.3931,-1.1961;4.1449,-4.0069,2.5289;3.2835,1.3015,-1.0083;3.8677,.4046,-1.8934;3.4155,1.1297,.3643;4.6009,-.664,-1.4005;4.1374,.0434,.8418;4.7366,-.8529,-.0321;-2.3412,-1.9334,-2.6516;-3.2338,-.3472,-2.7599;.0587,-1.2475,-2.1755;-1.711,-1.6776,1.698;2.123,-2.2829,-1.345;.3197,-2.7055,2.5338;-2.4766,2.9453,.9592;.6843,1.2836,-.1243;-1.4063,4.9986,.384;2.5901,-2.6037,3.0213;2.0129,-4.2403,2.685;.3796,6.1647,-.8727;2.3094,4.8982,-1.7513;4.3108,-4.886,1.906;4.3139,-4.2969,3.5655;4.8858,-3.2502,2.2686;3.7588,.5533,-2.9603;2.9776,1.8308,1.0629;5.0599,-1.3561,-2.0942;4.2394,-.0914,1.9108;5.3064,-1.689,.3503; 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 3118 GEPOL Volume 3304.1676 GEPOL Surface-area 1810.9063 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.5s -2279.54485171 3777.64790346 -6057.19275517 -10638.09192283 4580.89916766 -0.04300742 -4551.96983825 2272.42498654 2.00313316 125.000036959681 125.000036959681 250.000073919362 -173.461488864885 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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22.7189 22.8498 22.9251 23.0018 23.0835 23.1962 23.4034 23.5357 23.5849 23.7033 23.7902 23.9228 24.0527 24.1673 24.3863 24.4768 24.5890 24.7348 24.8184 25.0418 25.0750 25.2459 25.4078 25.4824 25.6424 25.6879 25.7690 25.8793 26.0605 26.2818 26.3533 26.4132 26.5082 26.5845 26.7043 26.7655 27.0307 27.0891 27.2363 27.4004 27.4563 27.5991 27.7640 27.8304 28.0190 28.0905 28.2847 28.3582 28.5674 28.6034 28.9064 28.9864 29.1591 29.2347 29.3979 29.5027 29.6918 29.8214 29.9277 30.0954 30.2094 30.3270 30.3704 30.4649 30.5029 30.5999 30.9003 30.9459 31.0101 31.2292 31.3168 31.5456 31.6207 31.6867 31.7131 31.8465 31.9464 32.0112 32.1522 32.4187 32.4220 32.5656 32.6682 32.7426 32.8520 32.9879 33.0626 33.1688 33.2367 33.3197 33.4280 33.5157 33.5806 33.6348 33.7619 33.8532 34.1130 34.1380 34.2083 34.2746 34.4820 34.5418 34.7270 34.8567 34.9291 35.1010 35.1692 35.3017 35.5212 35.6511 35.9342 36.0423 36.0602 36.1301 36.3132 36.4245 36.5138 36.6607 36.7698 36.8593 36.9290 37.2245 37.2705 37.5297 37.6662 37.7354 37.9513 37.9784 38.0915 38.1447 38.2371 38.4392 38.4502 38.6430 38.7898 38.9063 38.9676 39.1270 39.1661 39.2213 39.4255 39.4629 39.5896 39.6990 39.9390 39.9972 40.2101 40.2562 40.4571 40.6187 40.6592 40.8115 40.8786 40.9604 41.0693 41.2119 41.2336 41.4369 41.5133 41.6852 41.7177 41.7979 41.9719 42.0026 42.2172 42.4330 42.4888 42.6260 42.7123 42.8140 42.9152 43.0459 43.2683 43.3379 43.4471 43.4688 43.6141 43.8404 43.9710 44.0830 44.2173 44.3695 44.4010 44.5190 44.6660 44.9683 44.9861 45.0306 45.1983 45.3052 45.5974 45.6959 45.8160 45.9541 46.0290 46.0700 46.2300 46.4073 46.4605 46.6713 46.8484 46.9517 47.1148 47.1649 47.3024 47.5384 47.6609 47.8318 47.8967 48.0147 48.0814 48.3432 48.4228 48.5204 48.6449 48.7812 48.8752 49.0287 49.2190 49.2680 49.3951 49.8047 49.9293 50.0805 50.2835 50.4840 50.5768 50.7292 50.8601 51.0015 51.2441 51.2559 51.5524 51.5841 51.8806 51.9357 52.1693 52.2247 52.3802 52.6465 52.7267 52.7904 53.0274 53.0712 53.2611 53.4543 53.5858 53.6517 53.7417 53.8623 54.0521 54.1702 54.4774 54.5757 54.8210 54.9194 55.0351 55.2368 55.3795 55.5732 55.9272 56.1600 56.2171 56.4327 56.5036 56.6397 56.7293 56.8249 56.9216 57.2200 57.3311 57.3898 57.5188 57.7261 57.7449 57.9305 58.2095 58.2395 58.3443 58.4385 58.6280 58.6817 58.9100 59.0347 59.2173 59.4064 59.4650 59.6024 59.7730 60.1236 60.2202 60.3316 60.4140 60.7152 60.7501 60.8804 61.0944 61.5537 61.7132 61.8954 62.0208 62.1053 62.1598 62.2433 62.6530 62.9880 63.2907 63.3919 63.5108 63.6606 63.7220 63.9262 64.0227 64.0962 64.2745 64.4355 64.5292 64.7220 64.7964 64.9191 64.9717 65.0746 65.2689 65.4444 65.5121 65.7071 65.8774 65.9808 66.3935 66.5816 66.7178 67.0581 67.2641 67.4317 67.6271 67.7107 67.8563 67.9705 68.1457 68.2341 68.3383 68.4827 68.5374 68.7775 68.9446 69.0222 69.3771 69.5551 69.6735 69.7255 69.8993 70.1788 70.3875 70.4689 70.6449 71.0777 71.4087 72.0301 72.0590 72.1888 72.2984 72.4830 72.6791 72.8680 73.2123 73.6044 73.6181 73.8435 73.9985 74.1659 74.4383 74.5248 74.8035 75.1191 75.1862 75.3661 75.5627 75.7315 75.7773 75.8885 76.2598 76.4087 76.4706 76.6675 76.7979 77.0819 77.1964 77.3178 77.5113 77.6735 77.8276 78.0661 78.1264 78.1969 78.2204 78.3910 78.4488 78.5835 78.7268 78.8626 79.0233 79.2106 79.3167 79.3795 79.4384 79.5079 79.7126 79.8298 79.9014 79.9573 80.1329 80.2401 80.4757 80.5788 80.6699 80.7231 80.8498 81.0465 81.1137 81.1460 81.2394 81.6182 81.6584 82.0218 82.0644 82.1914 82.3619 82.3985 82.5317 82.6476 82.7340 82.8295 83.1741 83.2025 83.3100 83.5236 83.5569 83.7234 83.8094 84.0375 84.0588 84.1027 84.3911 84.4105 84.5334 84.6981 84.7277 84.7852 84.9642 84.9959 85.1285 85.1690 85.2210 85.3993 85.5168 85.5739 85.6674 85.9018 85.9637 85.9796 86.0125 86.2534 86.3522 86.4185 86.5430 86.6202 86.7190 86.7752 86.8052 87.1613 87.2414 87.3336 87.3647 87.4250 87.6556 87.9100 87.9730 88.0115 88.2042 88.3415 88.4069 88.4753 88.5132 88.6729 88.8717 89.0163 89.1391 89.2010 89.2307 89.3006 89.4698 89.6348 89.7506 89.8281 89.9239 89.9693 90.1409 90.1873 90.3557 90.3932 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