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 N N N N 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 1 1 1 2 2 2 2 2 2 2 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 4 386.2590999999997 AuxInfo=1/0/N:12,13,14,30,29,27,28,24,25,26,23,21,20,19,17,16,18,22,15,11,5,4,8,7,10,9,6,3,2,1/E:(1,2,3)(6,7)(9,10)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,23.2,24.2,25.2,26.2,28.1/rA:53nOOO1NN2NN2N2N2N2CCCCC3C3C3C3C3CC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;;s6;s8s9;s1;s11;s11;s11;s1s3s4;s4s5;s5;s7;s18;s2s17;s16;s6s8s18;s17;s21s23;s19;s19;s25;s26;s27s28;s6;s12;s12;s12;s13;s13;s13;s14;s14;s14;s4;s20;s20;s21;s23;s24;s25;s26;s27;s28;s29;s30;s30;s30;/rC:-4.1527,.7065,-2.0621;2.959,-.4993,-.6819;-3.3698,2.8129,-1.7928;-1.9888,1.0012,-1.9619;.2441,.6646,-2.0016;-.1221,-2.3985,1.4606;1.9788,-1.219,-.0985;1.3678,-2.9904,2.8833;-.6938,-3.2079,2.3363;.2023,-3.551,3.1766;-5.5773,1.0303,-2.0617;-6.2306,-.3353,-2.217;-5.9939,1.6514,-.7364;-5.929,1.9121,-3.2508;-3.2031,1.6194,-1.9264;-.7228,1.5555,-1.8212;1.5101,1.033,-1.8521;2.1993,-1.4916,1.1281;3.3917,-1.106,1.9129;2.5479,-.0461,-1.9727;-.4613,2.8894,-1.5061;1.1669,-2.2692,1.803;1.875,2.3327,-1.5373;.8628,3.2653,-1.3715;4.664,-1.5282,1.5372;3.2334,-.3035,3.0394;5.7675,-1.1502,2.2878;4.341,.0838,3.7786;5.6086,-.3411,3.405;-.8952,-1.7966,.3939;-5.9313,-.8183,-3.1483;-7.3141,-.2234,-2.2326;-5.9756,-.9961,-1.3872;-5.6255,2.6662,-.6028;-7.0828,1.6923,-.6948;-5.6565,1.044,.1047;-5.5454,1.4885,-4.1801;-5.5571,2.9298,-3.1528;-7.0145,1.9686,-3.3396;-1.9828,-.0017,-2.0946;2.1764,-.8809,-2.5689;3.4591,.3361,-2.431;-1.2476,3.611,-1.364;2.9157,2.6057,-1.428;1.1005,4.2925,-1.129;4.7945,-2.1647,.6718;2.2447,.0253,3.3347;6.7536,-1.4877,1.9981;4.2124,.7153,4.6476;6.4722,-.044,3.9853;-.7048,-.7294,.3629;-.6434,-2.2433,-.5626;-1.9439,-1.9685,.6108; 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 1723 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 216 Dim 1252 ENuc 2840.2271944063 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 8.095e-06 Time for diagonalization 0.544 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.272 sec Total time needed 0.823 sec 8 8 8 7 7 7 7 7 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 1 386.2590999999997 AuxInfo=1/0/N:12,13,14,30,29,27,28,24,25,26,23,21,20,19,17,16,18,22,15,11,5,4,8,7,10,9,6,3,2,1/E:(1,2,3)(6,7)(9,10)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,23.2,24.2,25.2,26.2,28.1/rA:53nOOO1NN2NN2N2N2N2CCCCC3C3C3C3C3CC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;;s6;s8s9;s1;s11;s11;s11;s1s3s4;s4s5;s5;s7;s18;s2s17;s16;s6s8s18;s17;s21s23;s19;s19;s25;s26;s27s28;s6;s12;s12;s12;s13;s13;s13;s14;s14;s14;s4;s20;s20;s21;s23;s24;s25;s26;s27;s28;s29;s30;s30;s30;/rC:-4.1527,.7065,-2.0621;2.959,-.4993,-.6819;-3.3698,2.8129,-1.7928;-1.9888,1.0012,-1.9619;.2441,.6646,-2.0016;-.1221,-2.3985,1.4606;1.9788,-1.219,-.0985;1.3678,-2.9904,2.8833;-.6938,-3.2079,2.3363;.2023,-3.551,3.1766;-5.5773,1.0303,-2.0617;-6.2306,-.3354,-2.217;-5.9939,1.6514,-.7364;-5.929,1.9121,-3.2508;-3.2031,1.6194,-1.9264;-.7228,1.5555,-1.8212;1.5101,1.033,-1.8521;2.1993,-1.4916,1.1281;3.3917,-1.106,1.9129;2.5479,-.0461,-1.9727;-.4613,2.8894,-1.5061;1.1669,-2.2692,1.803;1.875,2.3327,-1.5373;.8628,3.2653,-1.3715;4.664,-1.5282,1.5372;3.2334,-.3035,3.0394;5.7675,-1.1502,2.2878;4.341,.0838,3.7786;5.6086,-.3411,3.405;-.8952,-1.7966,.3939;-5.9313,-.8183,-3.1483;-7.3141,-.2234,-2.2326;-5.9756,-.9961,-1.3872;-5.6255,2.6662,-.6028;-7.0828,1.6923,-.6948;-5.6565,1.044,.1047;-5.5454,1.4885,-4.1801;-5.5571,2.9298,-3.1528;-7.0145,1.9686,-3.3396;-1.9828,-.0017,-2.0946;2.1764,-.8809,-2.5689;3.4591,.3361,-2.431;-1.2476,3.611,-1.364;2.9157,2.6057,-1.428;1.1005,4.2925,-1.129;4.7945,-2.1647,.6718;2.2447,.0253,3.3347;6.7536,-1.4877,1.9981;4.2124,.7153,4.6476;6.4722,-.044,3.9853;-.7048,-.7294,.3629;-.6434,-2.2433,-.5626;-1.9439,-1.9685,.6108; 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" 386.2590999999997 AuxInfo=1/0/N:12,13,14,30,29,27,28,24,25,26,23,21,20,19,17,16,18,22,15,11,5,4,8,7,10,9,6,3,2,1/E:(1,2,3)(6,7)(9,10)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,23.2,24.2,25.2,26.2,28.1/rA:53nOOO1NN2NN2N2N2N2CCCCC3C3C3C3C3CC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;;s6;s8s9;s1;s11;s11;s11;s1s3s4;s4s5;s5;s7;s18;s2s17;s16;s6s8s18;s17;s21s23;s19;s19;s25;s26;s27s28;s6;s12;s12;s12;s13;s13;s13;s14;s14;s14;s4;s20;s20;s21;s23;s24;s25;s26;s27;s28;s29;s30;s30;s30;/rC:-4.1527,.7065,-2.0621;2.959,-.4993,-.6819;-3.3698,2.8129,-1.7928;-1.9888,1.0012,-1.9619;.2441,.6646,-2.0016;-.1221,-2.3985,1.4606;1.9788,-1.219,-.0985;1.3678,-2.9904,2.8833;-.6938,-3.2079,2.3363;.2023,-3.551,3.1766;-5.5773,1.0303,-2.0617;-6.2306,-.3353,-2.217;-5.9939,1.6514,-.7364;-5.929,1.9121,-3.2508;-3.2031,1.6194,-1.9264;-.7228,1.5555,-1.8212;1.5101,1.033,-1.8521;2.1993,-1.4916,1.1281;3.3917,-1.106,1.9129;2.5479,-.0461,-1.9727;-.4613,2.8894,-1.5061;1.1669,-2.2692,1.803;1.875,2.3327,-1.5373;.8628,3.2653,-1.3715;4.664,-1.5282,1.5372;3.2334,-.3035,3.0394;5.7675,-1.1502,2.2878;4.341,.0838,3.7786;5.6086,-.3411,3.405;-.8952,-1.7966,.3939;-5.9313,-.8183,-3.1483;-7.3141,-.2234,-2.2326;-5.9756,-.9961,-1.3872;-5.6255,2.6662,-.6028;-7.0828,1.6923,-.6948;-5.6565,1.044,.1047;-5.5454,1.4885,-4.1801;-5.5571,2.9298,-3.1528;-7.0145,1.9686,-3.3396;-1.9828,-.0017,-2.0946;2.1764,-.8809,-2.5689;3.4591,.3361,-2.431;-1.2476,3.611,-1.364;2.9157,2.6057,-1.428;1.1005,4.2925,-1.129;4.7945,-2.1647,.6718;2.2447,.0253,3.3347;6.7536,-1.4877,1.9981;4.2124,.7153,4.6476;6.4722,-.044,3.9853;-.7048,-.7294,.3629;-.6434,-2.2433,-.5626;-1.9439,-1.9685,.6108; 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 3091 GEPOL Volume 2783.1307 GEPOL Surface-area 1578.0590 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 1.0s -1384.99645529 2840.22719441 -4225.22364970 -7529.78073585 3304.55708616 -0.04963164 -2764.23081087 1379.23435558 2.00417775 107.999921395305 107.999921395305 215.999842790609 -132.283834175817 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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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13.9528 14.0050 14.1323 14.1791 14.2666 14.3030 14.3590 14.4385 14.4789 14.6297 14.7522 14.7549 14.8667 14.9233 14.9706 15.0435 15.1318 15.1654 15.2317 15.3447 15.4009 15.4894 15.5525 15.6843 15.8236 15.8673 16.0243 16.0637 16.1486 16.2697 16.3403 16.4201 16.5258 16.6118 16.7970 16.8315 17.0483 17.2315 17.2921 17.4768 17.5255 17.5678 17.8446 17.9272 18.0016 18.1003 18.1838 18.3195 18.4157 18.5969 18.7063 19.0083 19.1325 19.2107 19.3692 19.5444 19.6758 19.8025 19.8465 20.0294 20.0679 20.1333 20.2521 20.4543 20.5615 20.7302 20.8471 20.9086 21.0289 21.0469 21.2606 21.2862 21.3881 21.5115 21.5859 21.6666 21.7388 21.8061 21.8951 22.1752 22.2400 22.3995 22.5312 22.7163 22.8536 22.8846 23.0957 23.1120 23.4265 23.5068 23.5532 23.7130 23.7432 23.8548 24.0587 24.1509 24.1992 24.2756 24.3804 24.4249 24.6750 24.8318 25.1008 25.1612 25.2629 25.5055 25.6292 25.6917 25.7644 25.9191 26.0813 26.1993 26.4996 26.6558 26.8853 27.0398 27.1009 27.2166 27.3041 27.4415 27.5003 27.6894 27.8019 27.9753 28.1352 28.1468 28.3168 28.5090 28.7199 28.7570 28.9084 28.9673 29.0193 29.1777 29.3604 29.3950 29.4367 29.6251 29.6808 29.9343 30.0048 30.0708 30.1805 30.3168 30.4011 30.4346 30.6175 30.8585 31.0573 31.2387 31.3088 31.3764 31.4351 31.6213 31.6838 31.9441 32.0783 32.1817 32.4110 32.5200 32.6894 32.8006 32.8922 33.0462 33.2622 33.4172 33.4707 33.6232 33.7258 33.9326 34.1203 34.3733 34.4027 34.5153 34.6095 34.7449 34.8144 34.9032 35.0554 35.1619 35.2850 35.3719 35.5038 35.5944 35.6758 35.8837 35.9459 36.1976 36.2162 36.5973 36.7106 36.7552 37.1914 37.3078 37.4164 37.5200 37.8329 37.8737 37.9498 38.0259 38.2046 38.3200 38.3571 38.5603 38.5818 38.6687 38.7341 38.9695 39.0623 39.1525 39.2774 39.3404 39.4172 39.6185 39.7591 39.9450 40.0895 40.1568 40.3237 40.3992 40.4404 40.4776 40.5568 40.7264 41.0231 41.1147 41.2108 41.5139 41.5635 41.7272 41.8830 41.9736 42.1594 42.1744 42.3025 42.4834 42.5979 42.7884 42.9357 42.9523 43.0333 43.1866 43.2114 43.2913 43.4234 43.5410 43.5693 43.7703 43.8995 43.9144 44.0318 44.1548 44.3746 44.4479 44.5480 44.5827 44.8147 44.8446 44.8689 45.1304 45.1814 45.2311 45.2495 45.7025 45.7304 45.9704 46.0126 46.1162 46.1652 46.3800 46.5765 46.6644 46.6730 46.7203 46.8981 47.0190 47.3262 47.3946 47.5063 47.7738 47.8320 47.9369 48.0977 48.2752 48.4136 48.5335 48.7056 48.7529 49.0152 49.1419 49.2824 49.4307 49.5674 49.6222 49.7931 49.9993 50.2918 50.4346 50.5833 50.6819 50.8456 50.9565 51.1885 51.3436 51.5170 51.9127 52.0365 52.0831 52.3969 52.7307 52.8870 53.1539 53.4031 53.5175 54.2579 54.3512 54.7182 54.8343 54.9231 55.1670 55.3072 55.5145 55.5935 56.2616 56.4320 56.5359 56.7616 56.8607 56.9952 57.3754 57.5511 57.5908 57.8167 57.9124 57.9498 58.1629 58.3029 58.3778 58.5122 58.8198 59.1790 59.2161 59.3081 59.5008 59.8088 60.0485 60.1465 60.1556 60.2485 60.6416 60.9461 61.0958 61.2348 61.4381 61.9010 62.0747 62.2309 62.4155 62.6796 62.8640 63.0815 63.5140 63.7165 63.8245 64.0606 64.3529 64.5677 64.7691 64.9705 65.0794 65.3990 65.6108 65.9250 66.0629 66.5649 66.7613 66.9066 67.0149 67.1655 67.2054 67.6865 67.8858 68.1439 68.3455 68.4968 68.5713 68.8275 68.9934 69.1801 69.3672 69.5538 69.8278 70.0923 70.2771 70.5705 70.7965 71.0123 71.1169 71.2433 71.3854 71.5082 71.8457 71.9810 72.3517 72.7784 73.0342 73.1664 73.3170 73.4919 73.7607 74.1436 74.2283 74.3652 74.7531 74.8981 74.9848 75.2137 75.4025 75.7358 75.9659 76.0243 76.2359 76.3625 76.5008 76.5161 76.7060 76.8513 77.0893 77.2501 77.3439 77.3687 77.4475 77.5872 77.8388 77.9758 78.1617 78.2363 78.3622 78.4994 78.8991 79.0255 79.1647 79.2265 79.3172 79.3878 79.4216 79.5747 79.6327 79.8587 80.0068 80.0328 80.1372 80.2581 80.6009 80.7745 80.8266 81.0034 81.1287 81.2497 81.4004 81.5807 81.6199 81.9925 82.2328 82.3195 82.4759 82.5158 82.8189 82.9207 83.0537 83.1530 83.3792 83.4220 83.5005 83.6296 83.7441 84.0350 84.2012 84.2576 84.3228 84.4275 84.7407 84.8450 84.9070 85.0289 85.1761 85.1998 85.2715 85.3082 85.3314 85.4325 85.5257 85.7569 85.9171 86.0608 86.1307 86.2101 86.3201 86.4183 86.4961 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103.1461 103.1819 103.3234 103.4985 103.5620 103.6335 103.8944 103.9868 104.1257 104.2699 104.5343 104.5780 104.6837 104.9832 105.0791 105.1421 105.3500 105.3965 105.4860 105.5446 105.7148 105.7470 105.8239 105.9696 106.2196 106.2886 106.4158 106.4942 106.7256 106.8836 106.9653 107.0694 107.1798 107.4090 107.4928 107.6012 107.7567 107.8338 107.9822 108.1812 108.2066 108.4504 108.6232 108.8680 108.9898 109.1191 109.1856 109.3359 109.4257 109.6533 109.6693 110.0086 110.2246 110.3750 110.5348 110.6431 110.9923 111.0365 111.1737 111.3062 111.4591 111.4933 111.5470 111.6327 112.0092 112.2011 112.2534 112.5103 112.7843 112.8833 113.1467 113.2627 113.4642 113.4970 113.6190 113.6439 113.7325 114.0477 114.2230 114.3069 114.5777 114.6994 114.8698 114.9150 115.1541 115.1985 115.3088 115.3541 115.4290 115.6196 115.8292 115.9310 115.9908 116.1486 116.2765 116.3185 116.4503 116.5466 116.6964 116.7169 116.8879 117.0159 117.1116 117.4539 117.6574 117.7959 117.9150 117.9776 118.1786 118.2502 118.4239 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