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 Si F O O 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 H H H H H H H H 1 2 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 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 5 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-1.2093,.6888,2.3266;-.7673,-5.5842,-2.2414;-1.6299,6.7211,2.0897;1.4832,-4.4109,-1.4819;-.4758,.0881,.6921;-1.2747,.5066,-.539;-1.323,2.5674,2.2841;-.079,.1418,3.7301;-2.9307,-.0315,2.5738;-.6772,.0208,-1.865;-.2204,3.3403,1.9197;-2.503,3.258,2.5795;-.6877,-1.4759,-1.996;-.2728,4.7268,1.8433;-2.5813,4.6375,2.5117;-1.4642,5.3865,2.1384;.4492,-2.2273,-1.7127;-1.8572,-2.1415,-2.3566;.4278,-3.6129,-1.8002;-1.8943,-3.525,-2.4381;-.7515,-4.2457,-2.1648;-.5402,7.543,1.6926;-1.0088,8.9766,1.7097;2.7594,-4.0627,-1.8293;3.763,-4.4453,-.9498;3.0681,-3.4172,-3.0203;5.0868,-4.1794,-1.2659;4.3971,-3.1476,-3.3166;5.4105,-3.5242,-2.446;.5537,.4563,.6098;-.3933,-1.0034,.7438;-1.3441,1.5975,-.5803;-2.3046,.1431,-.463;.0295,-.9453,3.7509;.9228,.5652,3.6298;-.467,.4496,4.7034;-2.896,-1.1235,2.557;-3.3612,.2585,3.5347;-3.6292,.2805,1.7949;-1.2467,.4584,-2.6891;.3455,.3952,-1.9584;.7228,2.861,1.678;-3.3952,2.7128,2.866;.6162,5.2691,1.5502;-3.5097,5.1463,2.7428;1.363,-1.7237,-1.4197;-2.7529,-1.5752,-2.581;-2.8014,-4.0429,-2.723;-.2016,7.2644,.6889;.3052,7.4099,2.3763;-1.8367,9.1364,1.018;-1.3253,9.2839,2.707;-.1899,9.6282,1.4046;3.5064,-4.9521,-.0278;2.2916,-3.1285,-3.7174;5.867,-4.4815,-.5792;4.6377,-2.6436,-4.2438;6.4437,-3.3123,-2.6875; 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 1742 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 218 Dim 1316 ENuc 2685.3351853736 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 6.975e-06 Time for diagonalization 0.485 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.539 sec Total time needed 1.039 sec 14 9 8 8 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 1 1 1 1 1 1 1 1 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-1.2093,.6888,2.3266;-.7673,-5.5842,-2.2414;-1.6299,6.7211,2.0897;1.4832,-4.4109,-1.4819;-.4758,.0881,.6921;-1.2747,.5066,-.539;-1.323,2.5674,2.2841;-.079,.1418,3.7301;-2.9307,-.0315,2.5738;-.6772,.0208,-1.865;-.2204,3.3403,1.9197;-2.503,3.258,2.5795;-.6877,-1.4759,-1.996;-.2728,4.7268,1.8433;-2.5813,4.6375,2.5117;-1.4642,5.3865,2.1384;.4492,-2.2273,-1.7127;-1.8572,-2.1415,-2.3566;.4278,-3.6129,-1.8002;-1.8943,-3.525,-2.4381;-.7515,-4.2457,-2.1648;-.5402,7.543,1.6926;-1.0088,8.9766,1.7097;2.7594,-4.0627,-1.8293;3.763,-4.4453,-.9498;3.0681,-3.4172,-3.0203;5.0868,-4.1794,-1.2659;4.3971,-3.1476,-3.3166;5.4105,-3.5242,-2.446;.5537,.4563,.6098;-.3933,-1.0034,.7438;-1.3441,1.5975,-.5803;-2.3046,.1431,-.463;.0295,-.9453,3.7509;.9228,.5652,3.6298;-.467,.4496,4.7034;-2.896,-1.1235,2.557;-3.3612,.2585,3.5347;-3.6292,.2805,1.7949;-1.2467,.4584,-2.6891;.3455,.3952,-1.9584;.7228,2.861,1.678;-3.3952,2.7128,2.866;.6162,5.2691,1.5502;-3.5097,5.1463,2.7428;1.363,-1.7237,-1.4197;-2.7529,-1.5752,-2.581;-2.8014,-4.0429,-2.723;-.2016,7.2644,.6889;.3052,7.4099,2.3763;-1.8367,9.1364,1.018;-1.3253,9.2839,2.707;-.1899,9.6282,1.4046;3.5064,-4.9521,-.0278;2.2916,-3.1285,-3.7174;5.867,-4.4815,-.5792;4.6377,-2.6436,-4.2438;6.4437,-3.3123,-2.6875; 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" 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-1.2093,.6888,2.3266;-.7673,-5.5842,-2.2414;-1.6299,6.7211,2.0897;1.4832,-4.4109,-1.4819;-.4758,.0881,.6921;-1.2747,.5066,-.539;-1.323,2.5674,2.2841;-.079,.1418,3.7301;-2.9307,-.0315,2.5738;-.6772,.0208,-1.865;-.2204,3.3403,1.9197;-2.503,3.258,2.5795;-.6877,-1.4759,-1.996;-.2728,4.7268,1.8433;-2.5813,4.6375,2.5117;-1.4642,5.3865,2.1384;.4492,-2.2273,-1.7127;-1.8572,-2.1415,-2.3566;.4278,-3.6129,-1.8002;-1.8943,-3.525,-2.4381;-.7515,-4.2457,-2.1648;-.5402,7.543,1.6926;-1.0088,8.9766,1.7097;2.7594,-4.0627,-1.8293;3.763,-4.4453,-.9498;3.0681,-3.4172,-3.0203;5.0868,-4.1794,-1.2659;4.3971,-3.1476,-3.3166;5.4105,-3.5242,-2.446;.5537,.4563,.6098;-.3933,-1.0034,.7438;-1.3441,1.5975,-.5803;-2.3046,.1431,-.463;.0295,-.9453,3.7509;.9228,.5652,3.6298;-.467,.4496,4.7034;-2.896,-1.1235,2.557;-3.3612,.2585,3.5347;-3.6292,.2805,1.7949;-1.2467,.4584,-2.6891;.3455,.3952,-1.9584;.7228,2.861,1.678;-3.3952,2.7128,2.866;.6162,5.2691,1.5502;-3.5097,5.1463,2.7428;1.363,-1.7237,-1.4197;-2.7529,-1.5752,-2.581;-2.8014,-4.0429,-2.723;-.2016,7.2644,.6889;.3052,7.4099,2.3763;-1.8367,9.1364,1.018;-1.3253,9.2839,2.707;-.1899,9.6282,1.4046;3.5064,-4.9521,-.0278;2.2916,-3.1285,-3.7174;5.867,-4.4815,-.5792;4.6377,-2.6436,-4.2438;6.4437,-3.3123,-2.6875; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Si F O C H 2.4700 1.7300 1.6280 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 3427 GEPOL Volume 2940.8660 GEPOL Surface-area 1664.0327 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -1510.07181534 2685.33518537 -4195.40700071 -7400.73498109 3205.32798037 -0.02372798 -3013.98154567 1503.90973033 2.00409738 109.000243308580 109.000243308580 218.000486617159 -135.228138218535 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 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 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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113.2073 113.4101 113.5621 113.6299 113.6644 113.6774 113.7773 113.9304 114.0536 114.1841 114.2596 114.5129 114.6666 114.7461 114.9419 115.0267 115.1915 115.4294 115.4844 115.5551 115.6191 115.7226 115.9214 116.0853 116.1274 116.2016 116.3201 116.4395 116.6146 116.7985 116.9134 117.1953 117.2525 117.3211 117.3990 117.5872 117.7947 117.8988 117.9567 118.0256 118.1745 118.3150 118.3586 118.4832 118.5274 118.7964 118.8270 118.9790 119.0675 119.0966 119.1918 119.3337 119.3692 119.5171 119.6081 119.7507 119.8440 119.9654 120.0829 120.2171 120.3302 120.4563 120.5308 120.7441 120.8562 120.9152 120.9750 121.2056 121.4374 121.5621 121.6848 121.9783 122.1961 122.2953 122.4350 122.6235 122.7769 123.0088 123.1074 123.3354 123.6758 123.8872 124.4631 124.7404 124.8892 125.1027 125.7821 126.0147 126.2065 126.2995 126.3628 126.6299 126.6773 126.8032 127.0016 127.1009 127.2032 127.3126 127.4079 127.5348 127.6427 127.8855 127.9973 128.2985 128.3934 128.7511 128.9218 129.1280 129.2193 129.2989 129.3863 129.6739 130.2292 130.2934 130.3451 130.6077 130.6901 130.8273 131.1112 131.1493 131.4087 131.5972 131.8272 131.8986 131.9356 132.0711 132.3922 132.5361 132.8297 132.9377 133.3034 133.4982 133.9008 134.0233 134.0713 134.2169 134.4824 134.7764 135.2013 135.3981 135.5601 135.7381 136.1475 136.5036 136.5345 136.5804 136.6262 136.9072 136.9982 137.2476 137.7516 137.8625 137.9947 138.0968 138.3961 138.4487 138.5996 138.7071 139.0598 139.2108 139.4536 139.9010 139.9180 140.2331 140.3174 140.8714 140.9796 141.2708 141.6414 141.8557 141.9550 142.1154 142.6739 143.0303 143.1041 143.3277 143.4681 143.7271 143.8878 144.0910 144.2411 144.3379 144.3823 144.5642 144.6800 144.9235 145.2289 146.0159 146.1402 146.5645 146.8255 146.8493 146.9352 147.5223 147.6885 147.7916 148.0739 148.1216 148.2048 148.2126 148.2458 148.4244 148.6124 148.8713 149.1255 149.1963 149.5162 149.6281 149.8568 150.1200 150.2180 150.3334 150.6479 150.8069 150.8972 151.1680 151.5982 151.7442 152.0366 152.2732 152.4746 152.8108 153.2703 153.6117 153.8127 154.0564 154.2199 154.8686 155.0692 155.1737 155.5869 155.8467 156.0130 156.1653 156.3744 156.6897 156.7464 156.8198 156.9299 157.1234 157.1518 157.5576 157.5988 157.8542 157.9543 158.3493 158.7109 158.8073 159.0437 159.2303 160.3237 161.0703 161.6080 161.7969 162.3848 162.8100 163.1871 164.3685 164.7950 168.7489 168.7923 169.4460 170.5508 171.5122 172.6224 173.9124 173.9916 176.4085 179.5967 180.3687 182.5304 186.1899 186.4023 186.8682 188.0955 188.8040 189.3474 189.4889 190.2170 190.2604 191.1131 192.2615 192.5911 192.7897 195.1986 196.0054 200.0882 201.9879 203.3173 205.9643 206.5480 207.3845 212.6167 229.9072 235.8871 241.1202 247.9986 248.9019 339.1126 617.8965 618.1443 619.8526 629.3720 630.1770 631.5441 632.3816 632.6555 634.1990 634.2269 635.0461 635.2146 636.7358 636.8827 637.3411 638.4105 639.5655 639.8574 642.9069 643.2084 645.7120 646.5242 653.9200 655.6253 657.9284 1213.5373 1214.7522 1563.1517 0.0000000 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 Si F O O 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 H H H H H H H H 0.490207 -0.218159 -0.325022 -0.327030 -0.268949 -0.137699 -0.178725 -0.421330 -0.442593 -0.093374 -0.164295 -0.086583 0.039451 -0.242386 -0.286733 0.340528 -0.235445 -0.216325 0.236026 -0.169947 0.174404 0.061593 -0.272020 0.301584 -0.258383 -0.200541 -0.116124 -0.143857 -0.191157 0.083894 0.087122 0.085040 0.084601 0.101704 0.100122 0.101443 0.110933 0.106831 0.104448 0.097029 0.085521 0.133110 0.140039 0.137076 0.133137 0.145758 0.142932 0.147702 0.093025 0.092758 0.086983 0.087013 0.088584 0.145886 0.155439 0.157873 0.159721 0.157158 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 Si F O O 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 H H H H H H H H 13.5098 9.2182 8.3250 8.3270 6.2689 6.1377 6.1787 6.4213 6.4426 6.0934 6.1643 6.0866 5.9605 6.2424 6.2867 5.6595 6.2354 6.2163 5.7640 6.1699 5.8256 5.9384 6.2720 5.6984 6.2584 6.2005 6.1161 6.1439 6.1912 0.9161 0.9129 0.9150 0.9154 0.8983 0.8999 0.8986 0.8891 0.8932 0.8956 0.9030 0.9145 0.8669 0.8600 0.8629 0.8669 0.8542 0.8571 0.8523 0.9070 0.9072 0.9130 0.9130 0.9114 0.8541 0.8446 0.8421 0.8403 0.8428 14.0000 9.0000 8.0000 8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.4902 -0.2182 -0.3250 -0.3270 -0.2689 -0.1377 -0.1787 -0.4213 -0.4426 -0.0934 -0.1643 -0.0866 0.0395 -0.2424 -0.2867 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21 3 18 3 23 4 5 4 29 4 30 5 9 5 31 5 32 6 10 6 11 7 33 7 34 7 35 8 36 8 37 8 38 9 12 9 39 9 40 10 13 10 41 11 14 11 42 12 16 12 17 13 15 13 43 14 15 14 44 16 18 16 45 17 19 17 46 18 20 19 20 19 47 21 22 21 48 21 49 22 50 22 51 22 52 23 24 23 25 24 26 24 53 25 27 25 54 26 28 26 55 27 28 27 56 28 57 -0.026172643 -1510.097987982424 -3.20938 3.95844 0.74906 37.50627 -35.72052 1.78575 15.79915 -16.19595 -0.39680 1.97673 5.02444