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:-3.1571,.1157,.2579;3.7357,-.1313,-.0871;.6866,2.9396,3.9997;2.4436,-1.9779,-1.51;-2.3278,.0773,-1.4352;-1.9698,1.4536,-2.0021;-1.9555,.9621,1.4382;-3.4621,-1.6534,.8265;-4.765,1.0893,.2163;-.801,1.4314,-3;-2.3737,1.8953,2.3922;-.5852,.705,1.3759;.4784,1.0376,-2.3177;-1.4788,2.5389,3.2299;.3329,1.3374,2.204;-.1129,2.2688,3.1393;.8998,-.2889,-2.3155;1.2083,1.9713,-1.5856;1.9872,-.6916,-1.553;2.3199,1.5884,-.8508;2.6846,.2591,-.8234;2.1007,2.8968,3.8281;2.574,3.7251,2.6535;1.5414,-3.0157,-1.5179;.351,-2.9726,-.8022;1.8946,-4.1456,-2.2406;-.4954,-4.0715,-.8319;1.0448,-5.243,-2.2483;-.1567,-5.2085,-1.5541;-1.4264,-.5327,-1.3081;-2.9466,-.4761,-2.1492;-1.7107,2.1536,-1.2002;-2.8462,1.8808,-2.4962;-2.5229,-2.2066,.9047;-3.9414,-1.6862,1.8069;-4.1044,-2.1949,.1286;-5.2615,1.1063,1.1885;-4.6028,2.1253,-.0879;-5.4664,.6478,-.4951;-1.0245,.7361,-3.8128;-.6936,2.423,-3.4456;-3.4251,2.1419,2.4873;-.1947,-.0044,.6535;-1.8323,3.2619,3.9551;1.3816,1.0946,2.0972;.3568,-1.0209,-2.9015;.9035,3.0103,-1.5791;2.8881,2.312,-.2804;2.452,1.8639,3.7537;2.5045,3.302,4.7554;3.6632,3.6951,2.6095;2.1963,3.3572,1.6993;2.2731,4.7675,2.7614;.0775,-2.0989,-.2243;2.827,-4.1669,-2.7899;-1.426,-4.0335,-.28;1.3229,-6.1239,-2.8118;-.8214,-6.0616,-1.5719; 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 2973.7606045199 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 5.210e-06 Time for diagonalization 0.385 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.431 sec Total time needed 0.824 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:-3.1571,.1157,.2579;3.7357,-.1313,-.0871;.6866,2.9396,3.9997;2.4436,-1.9779,-1.51;-2.3278,.0773,-1.4352;-1.9698,1.4536,-2.0021;-1.9555,.9621,1.4382;-3.4621,-1.6534,.8265;-4.765,1.0893,.2163;-.801,1.4314,-3;-2.3737,1.8953,2.3922;-.5852,.705,1.3759;.4784,1.0376,-2.3177;-1.4788,2.5389,3.2299;.3329,1.3374,2.204;-.1129,2.2688,3.1393;.8998,-.2889,-2.3155;1.2083,1.9713,-1.5856;1.9872,-.6916,-1.553;2.3199,1.5884,-.8508;2.6846,.2591,-.8234;2.1007,2.8968,3.8281;2.574,3.7251,2.6535;1.5414,-3.0157,-1.5179;.351,-2.9726,-.8022;1.8946,-4.1456,-2.2406;-.4954,-4.0715,-.8319;1.0448,-5.243,-2.2483;-.1567,-5.2085,-1.5541;-1.4264,-.5327,-1.3081;-2.9466,-.4761,-2.1492;-1.7107,2.1536,-1.2002;-2.8462,1.8808,-2.4962;-2.5229,-2.2066,.9047;-3.9414,-1.6862,1.8069;-4.1044,-2.1949,.1286;-5.2615,1.1063,1.1885;-4.6028,2.1253,-.0879;-5.4664,.6478,-.4951;-1.0245,.7361,-3.8128;-.6936,2.423,-3.4456;-3.4251,2.1419,2.4873;-.1947,-.0044,.6535;-1.8323,3.2619,3.9551;1.3816,1.0946,2.0972;.3568,-1.0209,-2.9015;.9035,3.0103,-1.5791;2.8881,2.312,-.2804;2.452,1.8639,3.7537;2.5045,3.302,4.7554;3.6632,3.6951,2.6095;2.1963,3.3572,1.6993;2.2731,4.7675,2.7614;.0775,-2.0989,-.2243;2.827,-4.1669,-2.7899;-1.426,-4.0335,-.28;1.3229,-6.1239,-2.8118;-.8214,-6.0616,-1.5719; 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" 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:-3.1571,.1157,.2579;3.7357,-.1313,-.0871;.6866,2.9396,3.9997;2.4436,-1.9779,-1.51;-2.3278,.0773,-1.4352;-1.9698,1.4536,-2.0021;-1.9555,.9621,1.4382;-3.4621,-1.6534,.8265;-4.765,1.0893,.2163;-.801,1.4314,-3;-2.3737,1.8953,2.3922;-.5852,.705,1.3759;.4784,1.0376,-2.3177;-1.4788,2.5389,3.2299;.3329,1.3374,2.204;-.1129,2.2688,3.1393;.8998,-.2889,-2.3155;1.2083,1.9713,-1.5856;1.9872,-.6916,-1.553;2.3199,1.5884,-.8508;2.6846,.2591,-.8234;2.1007,2.8968,3.8281;2.574,3.7251,2.6535;1.5414,-3.0157,-1.5179;.351,-2.9726,-.8022;1.8946,-4.1456,-2.2406;-.4954,-4.0715,-.8319;1.0448,-5.243,-2.2483;-.1567,-5.2085,-1.5541;-1.4264,-.5327,-1.3081;-2.9466,-.4761,-2.1492;-1.7107,2.1536,-1.2002;-2.8462,1.8808,-2.4962;-2.5229,-2.2066,.9047;-3.9414,-1.6862,1.8069;-4.1044,-2.1949,.1286;-5.2615,1.1063,1.1885;-4.6028,2.1253,-.0879;-5.4664,.6478,-.4951;-1.0245,.7361,-3.8128;-.6936,2.423,-3.4456;-3.4251,2.1419,2.4873;-.1947,-.0044,.6535;-1.8323,3.2619,3.9551;1.3816,1.0946,2.0972;.3568,-1.0209,-2.9015;.9035,3.0103,-1.5791;2.8881,2.312,-.2804;2.452,1.8639,3.7537;2.5045,3.302,4.7554;3.6632,3.6951,2.6095;2.1963,3.3572,1.6993;2.2731,4.7675,2.7614;.0775,-2.0989,-.2243;2.827,-4.1669,-2.7899;-1.426,-4.0335,-.28;1.3229,-6.1239,-2.8118;-.8214,-6.0616,-1.5719; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Si F O C H 2.4700 1.7300 1.5200 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 3371 GEPOL Volume 2927.9774 GEPOL Surface-area 1642.3532 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.05092637 2973.76060452 -4483.81153089 -7977.18355173 3493.37202084 -0.02873034 -3013.95695695 1503.90603058 2.00408596 109.000481593855 109.000481593855 218.000963187709 -135.234816130991 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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113.6027 113.6897 113.8903 113.9949 114.0304 114.1595 114.3287 114.4558 114.5207 114.5667 114.6536 114.8822 114.9928 115.0531 115.1841 115.5226 115.5458 115.7550 115.8782 116.0177 116.1461 116.2014 116.2764 116.3876 116.5549 116.6288 116.6722 116.7964 117.0312 117.2324 117.3675 117.4109 117.6240 117.6504 117.7622 117.8597 118.0393 118.2423 118.3873 118.4479 118.5690 118.5919 118.6857 118.7501 118.8692 119.0032 119.0497 119.1523 119.3533 119.4032 119.4597 119.5816 119.7555 119.8530 120.0256 120.1129 120.1394 120.2718 120.4154 120.5773 120.6739 120.8261 121.0022 121.2099 121.2689 121.3554 121.5957 121.7245 121.9821 122.1057 122.2291 122.3166 122.6597 122.7246 123.0540 123.1549 123.4604 123.5788 123.6257 123.8813 123.9417 124.3427 124.8296 125.0108 125.0362 125.2920 125.6425 125.9271 126.0288 126.3140 126.5570 126.5951 126.8489 126.8832 126.9780 127.1102 127.3595 127.5041 127.6972 127.8097 128.0505 128.1446 128.3311 128.4024 128.5978 128.8595 128.9444 129.1242 129.3597 129.6035 129.6621 129.8480 130.0185 130.2679 130.3732 130.5332 130.9884 131.2691 131.3267 131.4270 131.6445 131.8536 131.9243 132.0371 132.1597 132.3412 132.4239 132.5921 132.9123 133.0347 133.1359 133.3016 133.6147 133.9098 134.4096 134.4868 134.8616 135.0963 135.3313 135.4234 135.6905 135.8061 135.9666 136.1901 136.3499 136.7240 136.9230 137.1513 137.3152 137.4388 137.5858 137.7909 137.9548 138.1495 138.5404 138.7212 138.7524 139.1711 139.2815 139.3238 139.6004 139.7643 139.9443 140.3695 140.6559 140.7487 141.4324 141.6450 141.7575 141.9706 142.0447 142.5180 142.6360 142.9745 143.3646 143.5177 143.5628 143.8269 143.9132 144.0450 144.2473 144.2792 144.6276 144.7758 144.9345 145.1968 145.2412 145.6011 146.2682 146.3674 146.7256 147.1993 147.2335 147.6889 147.8696 147.9392 148.0974 148.1587 148.4597 148.6502 148.8765 148.9787 149.1774 149.2552 149.5611 149.6065 149.7930 149.8966 150.1156 150.3737 150.5994 150.7995 150.9575 151.1279 151.1707 151.5931 151.7068 151.8941 152.1397 152.4099 152.8584 152.9753 153.1457 153.2153 153.4056 153.9000 154.1902 154.4565 154.6115 155.2049 155.5351 155.6766 155.9777 156.1334 156.2303 156.6268 156.8870 157.0173 157.2881 157.3501 157.4812 157.5470 157.8860 157.9271 158.5787 158.7950 159.1083 159.3621 159.4810 159.6989 160.4419 160.5783 161.2778 161.7907 162.7280 163.0245 163.2570 164.0779 164.1947 164.9423 167.6683 168.3084 169.4712 170.5207 171.8280 172.9365 174.1140 174.4036 176.3201 180.1276 180.7090 182.4816 186.1996 186.4168 186.6270 187.5765 188.8568 189.4449 189.4669 190.1641 190.5007 191.2142 192.5560 192.7499 193.7691 195.5565 195.9811 200.1061 201.9709 202.2050 205.8261 206.5700 207.3950 212.5785 229.9037 235.9191 241.1928 248.0818 249.0396 339.0923 618.9808 620.2032 622.2650 629.7294 630.8968 631.4940 632.5691 632.9143 634.3451 634.6617 635.4297 635.5010 636.9237 637.5783 637.8856 638.9011 639.7583 639.9973 643.2129 643.5339 646.0474 647.0118 654.2221 655.7585 658.0349 1212.4361 1214.8484 1564.5504 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 0.441657 -0.223967 -0.353768 -0.344201 -0.196900 -0.159802 -0.255959 -0.413618 -0.451858 -0.081157 -0.041952 -0.022323 0.087852 -0.316074 -0.309625 0.369776 -0.265078 -0.229867 0.249555 -0.224222 0.216078 0.053160 -0.261408 0.230856 -0.162608 -0.226188 -0.183756 -0.141844 -0.167401 0.018526 0.097140 0.082337 0.090430 0.093666 0.107466 0.105405 0.104321 0.109397 0.109095 0.084420 0.094045 0.141301 0.098947 0.133941 0.150489 0.153872 0.141652 0.159627 0.086365 0.109342 0.096038 0.079680 0.092911 0.211503 0.148104 0.162050 0.161384 0.161188 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 13.5583 9.2240 8.3538 8.3442 6.1969 6.1598 6.2560 6.4136 6.4519 6.0812 6.0420 6.0223 5.9121 6.3161 6.3096 5.6302 6.2651 6.2299 5.7504 6.2242 5.7839 5.9468 6.2614 5.7691 6.1626 6.2262 6.1838 6.1418 6.1674 0.9815 0.9029 0.9177 0.9096 0.9063 0.8925 0.8946 0.8957 0.8906 0.8909 0.9156 0.9060 0.8587 0.9011 0.8661 0.8495 0.8461 0.8583 0.8404 0.9136 0.8907 0.9040 0.9203 0.9071 0.7885 0.8519 0.8380 0.8386 0.8388 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 0.4417 -0.2240 -0.3538 -0.3442 -0.1969 -0.1598 -0.2560 -0.4136 -0.4519 -0.0812 -0.0420 -0.0223 0.0879 -0.3161 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1.0091 1.0068 0.9847 0.9782 1.0150 0.9974 0.9989 1.0047 0.9920 0.9958 0.9920 1.0089 1.0003 1.0074 0.9192 1.0065 0.9931 0.9877 0.9904 -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 0.9423 1.0410 0.9543 0.9814 1.0565 1.0605 0.8949 0.9540 0.9318 0.9185 0.9848 0.9793 0.9228 1.0171 0.9936 1.2861 1.2720 0.9770 0.9790 0.9702 0.9753 0.9728 0.9730 0.8987 1.0153 1.0089 1.4739 0.9891 1.3798 0.9818 1.3368 1.3407 1.3385 0.9971 1.3008 0.9752 1.3591 0.9719 1.3747 1.0110 1.3770 1.4091 1.0008 0.9509 0.9934 0.9796 0.9840 0.9884 0.9922 1.3807 1.3987 1.4056 0.9363 1.4237 0.9856 1.4285 0.9690 1.4070 0.9797 0.9852 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 -0.034727196 -1510.085653569767 -23.18404 22.48402 -0.70002 8.77582 -8.57150 0.20433 1.29140 -2.13688 -0.84547 1.11651 2.83795