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:-3.8833,1.2337,.7662;1.9552,-3.6424,.843;1.9309,2.8845,.5741;1.3958,-.9747,.6043;-3.8054,-.5562,.1608;-3.3725,-.675,-1.3029;-2.116,1.8777,.717;-4.5262,1.2917,2.5333;-4.9732,2.2688,-.3657;-2.8216,-2.0465,-1.6821;-1.5884,2.5115,-.4068;-1.228,1.6288,1.7707;-1.55,-2.4531,-.9782;-.2472,2.8662,-.5039;.108,1.9768,1.7006;.6165,2.5897,.5531;-.6198,-1.5164,-.5309;-1.2611,-3.8035,-.7958;.5527,-1.9154,.0896;-.0814,-4.2177,-.1943;.8137,-3.2687,.2475;2.5508,3.4569,-.5715;2.8324,2.4472,-1.6635;2.6718,-.868,.1269;3.5812,-.2168,.9515;3.058,-1.3385,-1.1208;4.8882,-.0467,.5239;4.3727,-1.1626,-1.5327;5.2935,-.5206,-.7177;-3.0976,-1.0775,.8155;-4.7667,-1.0599,.3069;-2.6296,.0876,-1.5574;-4.2277,-.4619,-1.9488;-3.9501,.6469,3.2004;-4.49,2.303,2.9439;-5.5645,.9562,2.5847;-6.002,1.9011,-.3571;-4.9997,3.315,-.0534;-4.6351,2.2482,-1.4038;-3.5827,-2.8096,-1.4969;-2.6389,-2.0662,-2.762;-2.2281,2.7394,-1.2524;-1.5787,1.144,2.6755;.098,3.3484,-1.4086;.7716,1.7726,2.5325;-.7957,-.453,-.6433;-1.9697,-4.5524,-1.128;.1346,-5.2695,-.0557;3.4893,3.8712,-.2023;1.9612,4.298,-.9488;3.3268,2.9502,-2.4961;3.4994,1.6615,-1.3097;1.9279,1.979,-2.0524;3.265,.1477,1.9209;2.3516,-1.831,-1.7774;5.5947,.4592,1.1694;4.6724,-1.5316,-2.5053;6.3156,-.3876,-1.0468; 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 2999.8214581598 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 5.277e-06 Time for diagonalization 1.397 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 1.207 sec Total time needed 2.630 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:-3.8833,1.2337,.7662;1.9552,-3.6424,.843;1.9309,2.8845,.5741;1.3958,-.9747,.6043;-3.8054,-.5562,.1608;-3.3725,-.675,-1.3029;-2.116,1.8777,.717;-4.5262,1.2918,2.5333;-4.9732,2.2688,-.3657;-2.8216,-2.0465,-1.6821;-1.5884,2.5115,-.4068;-1.228,1.6288,1.7707;-1.55,-2.4531,-.9782;-.2472,2.8662,-.5039;.108,1.9768,1.7006;.6165,2.5897,.5531;-.6198,-1.5164,-.5309;-1.2611,-3.8035,-.7958;.5527,-1.9154,.0896;-.0814,-4.2177,-.1943;.8137,-3.2687,.2475;2.5508,3.4569,-.5715;2.8324,2.4472,-1.6635;2.6718,-.868,.1269;3.5812,-.2168,.9515;3.058,-1.3385,-1.1208;4.8882,-.0467,.5239;4.3727,-1.1626,-1.5327;5.2935,-.5206,-.7177;-3.0976,-1.0775,.8155;-4.7667,-1.0599,.3069;-2.6296,.0876,-1.5574;-4.2277,-.4619,-1.9488;-3.9501,.6469,3.2004;-4.49,2.303,2.9439;-5.5645,.9562,2.5847;-6.002,1.9011,-.3571;-4.9997,3.315,-.0534;-4.6351,2.2482,-1.4038;-3.5827,-2.8096,-1.4969;-2.6389,-2.0662,-2.762;-2.2281,2.7394,-1.2524;-1.5787,1.144,2.6755;.098,3.3484,-1.4086;.7716,1.7726,2.5325;-.7957,-.453,-.6433;-1.9697,-4.5524,-1.128;.1346,-5.2695,-.0557;3.4893,3.8712,-.2023;1.9612,4.298,-.9488;3.3268,2.9502,-2.4961;3.4994,1.6615,-1.3097;1.9279,1.979,-2.0524;3.265,.1477,1.9209;2.3516,-1.831,-1.7774;5.5947,.4592,1.1694;4.6724,-1.5316,-2.5053;6.3156,-.3876,-1.0468; 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:-3.8833,1.2337,.7662;1.9552,-3.6424,.843;1.9309,2.8845,.5741;1.3958,-.9747,.6043;-3.8054,-.5562,.1608;-3.3725,-.675,-1.3029;-2.116,1.8777,.717;-4.5262,1.2917,2.5333;-4.9732,2.2688,-.3657;-2.8216,-2.0465,-1.6821;-1.5884,2.5115,-.4068;-1.228,1.6288,1.7707;-1.55,-2.4531,-.9782;-.2472,2.8662,-.5039;.108,1.9768,1.7006;.6165,2.5897,.5531;-.6198,-1.5164,-.5309;-1.2611,-3.8035,-.7958;.5527,-1.9154,.0896;-.0814,-4.2177,-.1943;.8137,-3.2687,.2475;2.5508,3.4569,-.5715;2.8324,2.4472,-1.6635;2.6718,-.868,.1269;3.5812,-.2168,.9515;3.058,-1.3385,-1.1208;4.8882,-.0467,.5239;4.3727,-1.1626,-1.5327;5.2935,-.5206,-.7177;-3.0976,-1.0775,.8155;-4.7667,-1.0599,.3069;-2.6296,.0876,-1.5574;-4.2277,-.4619,-1.9488;-3.9501,.6469,3.2004;-4.49,2.303,2.9439;-5.5645,.9562,2.5847;-6.002,1.9011,-.3571;-4.9997,3.315,-.0534;-4.6351,2.2482,-1.4038;-3.5827,-2.8096,-1.4969;-2.6389,-2.0662,-2.762;-2.2281,2.7394,-1.2524;-1.5787,1.144,2.6755;.098,3.3484,-1.4086;.7716,1.7726,2.5325;-.7957,-.453,-.6433;-1.9697,-4.5524,-1.128;.1346,-5.2695,-.0557;3.4893,3.8712,-.2023;1.9612,4.298,-.9488;3.3268,2.9502,-2.4961;3.4994,1.6615,-1.3097;1.9279,1.979,-2.0524;3.265,.1477,1.9209;2.3516,-1.831,-1.7774;5.5947,.4592,1.1694;4.6724,-1.5316,-2.5053;6.3156,-.3876,-1.0468; 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 3357 GEPOL Volume 2924.2895 GEPOL Surface-area 1619.6179 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 1.6s) Overall time for CPCM initialization 1.8s -1510.06799267 2999.82145816 -4509.88945083 -8030.87459906 3520.98514823 -0.02367745 -3013.98304780 1503.91505513 2.00409128 109.000014924817 109.000014924817 218.000029849633 -135.236325098985 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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113.6082 113.6264 113.7700 113.8036 114.0618 114.1704 114.3399 114.4509 114.6028 114.7048 114.7784 114.7962 114.8774 115.1118 115.2821 115.3613 115.5420 115.5965 115.6899 115.8139 116.0038 116.0935 116.1602 116.2826 116.4052 116.5993 116.7342 116.9996 117.1401 117.1570 117.3235 117.4634 117.5846 117.6740 117.8524 117.9130 118.0677 118.1707 118.3674 118.4128 118.5209 118.6293 118.6428 118.8354 118.9229 118.9430 119.0544 119.1279 119.2437 119.4249 119.5713 119.5956 119.6964 119.8225 119.8830 120.2046 120.2912 120.3681 120.4605 120.4985 120.5564 120.8207 120.8900 120.9898 121.0474 121.2686 121.3986 121.5969 121.8057 121.9302 122.0588 122.1873 122.3676 122.6271 122.7857 122.8771 123.1787 123.4456 123.5338 123.7132 123.8410 123.9922 124.3328 124.9765 125.0344 125.4879 125.7247 125.8199 125.9519 126.2420 126.3289 126.6447 126.7003 126.8802 126.9770 127.2025 127.4583 127.5498 127.6191 127.6368 128.0203 128.0868 128.2383 128.3963 128.5805 128.7283 128.9689 129.0325 129.3899 129.5857 129.7690 130.1190 130.2131 130.5533 130.6696 130.8253 130.9909 131.1468 131.2068 131.3563 131.5132 131.6815 131.7958 131.9218 132.0646 132.3308 132.4490 132.6619 132.7592 132.9178 133.0200 133.2342 133.2631 133.5098 134.2349 134.4342 134.6222 135.0884 135.2308 135.3381 135.6324 135.8720 136.3041 136.3955 136.5262 136.6407 136.8090 137.0240 137.1528 137.2921 137.5242 137.8854 138.2001 138.4012 138.5979 138.6823 138.9721 139.0434 139.2192 139.6584 139.7708 139.8621 140.0966 140.3383 140.5900 140.6868 140.8144 141.4185 141.4612 141.7122 141.9293 142.1813 142.9346 143.0882 143.2922 143.3915 143.6960 143.7393 143.8917 144.0293 144.0979 144.2673 144.5134 144.6976 144.7343 145.0296 145.3250 145.5517 145.7422 146.1993 146.5043 146.7534 147.0906 147.1934 147.2946 147.7360 148.0139 148.5216 148.5541 148.6742 148.7925 148.8316 148.8915 149.1370 149.3141 149.7327 149.7680 149.8768 150.2831 150.3564 150.4689 150.6305 150.8184 151.0180 151.1171 151.5593 151.8572 151.9147 152.3451 152.3564 152.8057 153.0316 153.0945 153.1929 153.5937 153.6116 154.0845 154.5063 155.0001 155.1363 155.2320 155.3326 156.0657 156.2021 156.3938 156.5098 156.7396 156.8668 157.0781 157.2397 157.5112 157.6162 157.7458 158.2005 158.5518 158.8612 159.0175 159.2963 159.8445 159.9565 160.2544 160.4298 161.4386 161.5700 162.1685 163.0857 163.3995 164.0315 164.3138 165.4506 168.0393 168.4914 169.6575 170.7384 171.4626 171.7738 174.4580 175.2948 177.0831 180.4709 181.2647 183.1866 186.8535 187.1737 187.4962 188.2210 189.0144 189.1889 189.6347 190.3584 190.4771 191.8115 192.0344 192.8837 193.9257 195.7891 196.3110 199.9181 201.8906 202.6841 206.2848 207.1665 208.3803 212.4571 230.3860 236.0760 241.2921 248.2141 249.1433 338.9354 617.7616 621.9109 623.1141 629.6400 630.1658 632.1058 632.7513 633.0145 634.3712 634.4692 635.0319 635.5737 637.1242 637.4019 638.0564 638.8243 639.6594 641.6361 642.6282 644.2276 644.8174 647.7469 654.1262 655.6444 658.2706 1213.5224 1216.3961 1564.6554 -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 0.487827 -0.217511 -0.333780 -0.313697 -0.270150 -0.105604 -0.152913 -0.450771 -0.428811 -0.119995 -0.161467 -0.088094 0.003947 -0.229281 -0.321763 0.343358 -0.180290 -0.165623 0.136422 -0.185855 0.257745 0.038504 -0.245097 0.316696 -0.295196 -0.192837 -0.101938 -0.143149 -0.185758 0.085424 0.092638 0.075308 0.093272 0.099345 0.104596 0.103606 0.107234 0.109630 0.100445 0.085608 0.093801 0.142775 0.133682 0.136627 0.133179 0.110957 0.139406 0.146520 0.110092 0.094766 0.104550 0.047957 0.095163 0.144186 0.148867 0.154431 0.156437 0.154578 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 13.5122 9.2175 8.3338 8.3137 6.2702 6.1056 6.1529 6.4508 6.4288 6.1200 6.1615 6.0881 5.9961 6.2293 6.3218 5.6566 6.1803 6.1656 5.8636 6.1859 5.7423 5.9615 6.2451 5.6833 6.2952 6.1928 6.1019 6.1431 6.1858 0.9146 0.9074 0.9247 0.9067 0.9007 0.8954 0.8964 0.8928 0.8904 0.8996 0.9144 0.9062 0.8572 0.8663 0.8634 0.8668 0.8890 0.8606 0.8535 0.8899 0.9052 0.8954 0.9520 0.9048 0.8558 0.8511 0.8456 0.8436 0.8454 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 0.4878 -0.2175 -0.3338 -0.3137 -0.2702 -0.1056 -0.1529 -0.4508 -0.4288 -0.1200 -0.1615 -0.0881 0.0039 -0.2293 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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 -0.034879807 -1510.102872475717 -20.01866 19.41780 -0.60085 17.40909 -17.29315 0.11593 -9.33284 7.77692 -1.55592 1.67193 4.24972