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:-2.3861,1.5424,-.4018;1.7625,-4.9293,.0857;2.0089,4.1367,2.8512;1.4741,-3.0116,-1.7645;-2.5521,-.2816,.0605;-3.3,-1.1254,-.9721;-1.0293,2.314,.652;-4.0028,2.4665,-.114;-1.9032,1.7115,-2.2155;-3.3206,-2.6203,-.6479;-.4583,1.6594,1.7413;-.5304,3.5888,.3545;-1.9612,-3.2465,-.4652;.5585,2.225,2.5046;.4791,4.1725,1.0957;1.0344,3.4933,2.1832;-.8715,-2.8412,-1.2313;-1.7648,-4.2487,.4814;.385,-3.3937,-1.0383;-.5202,-4.8361,.66;.5463,-4.3955,-.0933;2.6378,3.4932,3.9515;3.6941,4.4248,4.4921;1.7233,-1.6721,-1.9201;1.5409,-.7588,-.8877;2.2123,-1.2606,-3.1516;1.8451,.578,-1.1045;2.5197,.078,-3.3508;2.331,1.0037,-2.3338;-1.5403,-.6773,.1962;-3.0385,-.3741,1.038;-2.8688,-.9754,-1.9656;-4.3366,-.7869,-1.0549;-3.9086,3.525,-.3673;-4.8137,2.0604,-.7237;-4.3184,2.4094,.9301;-.9997,1.1428,-2.4484;-2.6953,1.3604,-2.8804;-1.7064,2.7532,-2.4798;-3.9034,-2.7856,.2621;-3.8557,-3.1467,-1.4452;-.7992,.6688,2.0206;-.9328,4.1495,-.4826;.9604,1.6642,3.3378;.8475,5.1595,.8417;-.9867,-2.0664,-1.9803;-2.5939,-4.5785,1.0953;-.3736,-5.615,1.3975;3.0896,2.5488,3.63;1.9004,3.2611,4.7274;4.1934,3.9539,5.339;4.4525,4.6496,3.7414;3.2612,5.3632,4.8404;1.1711,-1.0775,.0792;2.351,-1.9832,-3.9461;1.7045,1.2891,-.3;2.9,.3967,-4.3128;2.5638,2.048,-2.4953; 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 2895.2106942537 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 6.755e-06 Time for diagonalization 0.484 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.500 sec Total time needed 0.998 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:-2.3861,1.5424,-.4018;1.7625,-4.9293,.0857;2.0089,4.1367,2.8512;1.4741,-3.0116,-1.7645;-2.5521,-.2816,.0605;-3.3,-1.1254,-.9721;-1.0293,2.314,.652;-4.0028,2.4665,-.114;-1.9032,1.7116,-2.2155;-3.3206,-2.6203,-.6479;-.4583,1.6594,1.7413;-.5304,3.5888,.3546;-1.9612,-3.2465,-.4652;.5585,2.225,2.5046;.4791,4.1725,1.0957;1.0344,3.4933,2.1832;-.8715,-2.8412,-1.2313;-1.7648,-4.2487,.4814;.385,-3.3937,-1.0383;-.5202,-4.8361,.66;.5463,-4.3955,-.0933;2.6378,3.4932,3.9515;3.6941,4.4248,4.4921;1.7233,-1.6721,-1.9201;1.5409,-.7588,-.8877;2.2123,-1.2606,-3.1516;1.8451,.578,-1.1045;2.5197,.078,-3.3508;2.331,1.0037,-2.3338;-1.5403,-.6773,.1962;-3.0385,-.3741,1.038;-2.8688,-.9754,-1.9656;-4.3366,-.7869,-1.0549;-3.9086,3.525,-.3673;-4.8137,2.0604,-.7237;-4.3184,2.4094,.9301;-.9997,1.1428,-2.4484;-2.6953,1.3604,-2.8804;-1.7064,2.7532,-2.4798;-3.9034,-2.7856,.2621;-3.8557,-3.1467,-1.4452;-.7992,.6688,2.0206;-.9328,4.1495,-.4826;.9604,1.6642,3.3378;.8475,5.1595,.8417;-.9867,-2.0664,-1.9803;-2.5939,-4.5785,1.0953;-.3736,-5.615,1.3975;3.0896,2.5488,3.63;1.9004,3.2611,4.7274;4.1934,3.9539,5.339;4.4525,4.6496,3.7414;3.2612,5.3632,4.8404;1.1711,-1.0775,.0792;2.351,-1.9832,-3.9461;1.7045,1.2891,-.3;2.9,.3967,-4.3128;2.5638,2.048,-2.4953; 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:-2.3861,1.5424,-.4018;1.7625,-4.9293,.0857;2.0089,4.1367,2.8512;1.4741,-3.0116,-1.7645;-2.5521,-.2816,.0605;-3.3,-1.1254,-.9721;-1.0293,2.314,.652;-4.0028,2.4665,-.114;-1.9032,1.7115,-2.2155;-3.3206,-2.6203,-.6479;-.4583,1.6594,1.7413;-.5304,3.5888,.3545;-1.9612,-3.2465,-.4652;.5585,2.225,2.5046;.4791,4.1725,1.0957;1.0344,3.4933,2.1832;-.8715,-2.8412,-1.2313;-1.7648,-4.2487,.4814;.385,-3.3937,-1.0383;-.5202,-4.8361,.66;.5463,-4.3955,-.0933;2.6378,3.4932,3.9515;3.6941,4.4248,4.4921;1.7233,-1.6721,-1.9201;1.5409,-.7588,-.8877;2.2123,-1.2606,-3.1516;1.8451,.578,-1.1045;2.5197,.078,-3.3508;2.331,1.0037,-2.3338;-1.5403,-.6773,.1962;-3.0385,-.3741,1.038;-2.8688,-.9754,-1.9656;-4.3366,-.7869,-1.0549;-3.9086,3.525,-.3673;-4.8137,2.0604,-.7237;-4.3184,2.4094,.9301;-.9997,1.1428,-2.4484;-2.6953,1.3604,-2.8804;-1.7064,2.7532,-2.4798;-3.9034,-2.7856,.2621;-3.8557,-3.1467,-1.4452;-.7992,.6688,2.0206;-.9328,4.1495,-.4826;.9604,1.6642,3.3378;.8475,5.1595,.8417;-.9867,-2.0664,-1.9803;-2.5939,-4.5785,1.0953;-.3736,-5.615,1.3975;3.0896,2.5488,3.63;1.9004,3.2611,4.7274;4.1934,3.9539,5.339;4.4525,4.6496,3.7414;3.2612,5.3632,4.8404;1.1711,-1.0775,.0792;2.351,-1.9832,-3.9461;1.7045,1.2891,-.3;2.9,.3967,-4.3128;2.5638,2.048,-2.4953; 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 3396 GEPOL Volume 2934.0483 GEPOL Surface-area 1648.4216 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.06949577 2895.21069425 -4405.28019003 -7820.40813063 3415.12794060 -0.02301348 -3013.96908252 1503.89958675 2.00410261 109.000111361549 109.000111361549 218.000222723097 -135.229996730516 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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113.2712 113.4337 113.5237 113.7160 113.8924 113.9969 114.0736 114.1428 114.1786 114.5262 114.5561 114.7221 114.7544 114.7810 114.9552 115.0959 115.2169 115.2447 115.4193 115.6798 115.7527 115.8523 115.9129 116.0431 116.2073 116.3355 116.4898 116.7162 116.7975 116.9539 116.9866 117.1820 117.3428 117.5114 117.6401 117.8051 117.8773 117.9642 118.0094 118.1523 118.3874 118.4076 118.5899 118.6423 118.8346 118.8656 118.9728 119.1055 119.3252 119.4488 119.4809 119.5995 119.6945 119.7756 119.8129 119.9146 120.0077 120.1180 120.2195 120.3516 120.4734 120.5269 120.6660 120.8345 121.0187 121.1638 121.3031 121.4213 121.6122 121.7288 122.0330 122.0613 122.2362 122.3647 122.5764 122.6871 122.8077 122.9293 123.1680 123.4752 123.6476 123.8803 124.1651 124.9671 124.9844 125.4225 125.6388 125.8153 125.9375 126.0222 126.4635 126.6673 126.8492 127.0250 127.0773 127.1071 127.1530 127.3598 127.4874 127.5818 127.9437 128.0249 128.2198 128.4187 128.6651 128.9474 129.0830 129.3140 129.3707 129.4835 129.6027 130.0133 130.0921 130.3506 130.5048 130.6721 130.8697 131.1515 131.1996 131.3157 131.4884 131.7262 131.7460 131.9210 131.9304 132.1513 132.2472 132.6477 132.7685 132.9123 133.0322 133.3239 133.6835 133.9753 134.1306 134.2832 134.3839 134.5590 134.7479 135.0462 135.4211 135.5885 135.7679 136.3733 136.5949 136.8032 136.8700 136.9854 137.2414 137.3671 137.9426 138.0408 138.2006 138.4062 138.6372 138.7319 138.8207 138.9185 139.0989 139.5606 139.6660 139.9729 140.0503 140.1996 140.2435 140.5237 140.8789 141.1186 141.3921 141.6828 141.8928 142.1489 142.7349 142.9137 143.0767 143.2932 143.5073 143.5873 143.9666 144.1078 144.1862 144.3601 144.4510 144.5372 144.7106 144.9122 145.2723 145.3564 145.7631 146.3646 146.6899 146.8930 147.1736 147.3588 147.5758 147.9250 148.1887 148.2114 148.2997 148.4506 148.5446 148.6734 148.8830 149.1117 149.2013 149.3712 149.3794 149.5638 149.7056 149.8358 150.1407 150.2114 150.4685 150.7620 151.0077 151.3344 151.4411 151.8912 151.9737 152.1857 152.4437 152.6757 153.2129 153.2838 153.7585 153.9586 154.0748 154.4281 154.7283 155.3658 155.4365 155.5350 156.0689 156.2201 156.3554 156.4576 156.7572 156.9680 157.0122 157.1536 157.4602 157.6841 157.8178 157.8462 157.9053 158.4223 158.8050 159.1152 159.2604 159.6055 159.9985 160.7919 161.3358 161.8149 161.9604 162.2336 162.7423 163.9300 164.3912 164.6131 168.7379 168.8846 169.4553 170.5813 171.6973 172.8849 174.0288 174.1161 176.4513 179.6440 180.2655 182.3699 185.7664 186.0590 186.5025 187.9974 188.9380 189.4717 189.6560 190.2207 190.4723 191.3628 192.6400 192.8138 192.8818 195.9667 196.1339 200.1116 201.7716 203.3645 205.5331 206.4375 207.4801 212.6118 229.9051 235.9315 241.1422 247.9821 248.9767 338.6843 617.2046 620.3140 622.6046 629.7004 630.2413 631.6708 632.5411 632.6775 634.1666 634.4305 635.1439 635.5209 636.9700 637.1799 637.5818 639.5272 639.7198 641.5182 642.6534 643.8874 644.4233 646.5286 654.0325 655.4611 658.1455 1213.6921 1214.9389 1563.1817 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 0.442438 -0.217542 -0.324769 -0.335360 -0.241435 -0.114941 -0.123385 -0.425413 -0.416853 -0.111702 -0.207904 -0.119481 0.037799 -0.205798 -0.268385 0.329490 -0.235223 -0.198077 0.209915 -0.168760 0.184179 0.064208 -0.273895 0.282722 -0.189358 -0.250531 -0.125764 -0.095819 -0.213328 0.066643 0.098939 0.076262 0.090899 0.099399 0.099522 0.101361 0.093608 0.109678 0.107970 0.084238 0.091948 0.141435 0.131966 0.134704 0.133259 0.149953 0.140020 0.147741 0.093541 0.092258 0.088545 0.087086 0.086909 0.156976 0.145634 0.152875 0.156868 0.152734 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 13.5576 9.2175 8.3248 8.3354 6.2414 6.1149 6.1234 6.4254 6.4169 6.1117 6.2079 6.1195 5.9622 6.2058 6.2684 5.6705 6.2352 6.1981 5.7901 6.1688 5.8158 5.9358 6.2739 5.7173 6.1894 6.2505 6.1258 6.0958 6.2133 0.9334 0.9011 0.9237 0.9091 0.9006 0.9005 0.8986 0.9064 0.8903 0.8920 0.9158 0.9081 0.8586 0.8680 0.8653 0.8667 0.8500 0.8600 0.8523 0.9065 0.9077 0.9115 0.9129 0.9131 0.8430 0.8544 0.8471 0.8431 0.8473 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 0.4424 -0.2175 -0.3248 -0.3354 -0.2414 -0.1149 -0.1234 -0.4254 -0.4169 -0.1117 -0.2079 -0.1195 0.0378 -0.2058 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1.0059 1.0023 0.9911 0.9940 1.0137 1.0143 0.9990 1.0010 0.9982 0.9865 0.9864 1.0058 1.0037 1.0034 0.9986 1.0074 0.9880 0.9878 0.9948 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.9658 1.0221 0.9713 0.9416 1.0756 1.1005 0.8823 0.9553 0.9468 0.9188 0.9846 0.9792 0.9354 1.0149 0.9954 1.3233 1.3093 0.9762 0.9736 0.9746 0.9761 0.9761 0.9754 0.9253 1.0209 0.9805 1.4290 0.9914 1.5047 0.9875 1.3308 1.3881 1.3080 0.9741 1.3337 0.9940 1.3598 0.9698 1.4087 0.9829 1.3855 1.4348 0.9855 0.9677 0.9730 0.9734 0.9907 0.9940 0.9940 1.3466 1.3967 1.3669 0.9722 1.4278 0.9850 1.4002 0.9797 1.4073 0.9807 0.9937 0 4 0 6 0 7 0 8 1 20 2 15 2 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 -0.031857817 -1510.101353592169 -14.79483 13.84623 -0.94860 27.42137 -26.99787 0.42350 6.26365 -5.56924 0.69441 1.24956 3.17612