Orca 5.0.2 RELEASE 1 2 3 4 5 17s13p8d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 6s5p4d1f 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 Br F F O 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 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 2 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 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:3.5494,-2.9247,-2.3313;3.1395,-1.9024,.1056;2.1819,-.7845,-1.4579;-3.8801,.6202,-.1037;1.3282,-2.7507,-.8647;.5205,3.1517,-.2928;-3.5574,-1.0686,1.5689;-3.8029,.4159,1.2878;-2.2539,-1.4953,.9028;-4.7568,-1.8836,1.0847;-3.4484,-1.2398,3.0886;-1.0436,-.9358,1.3119;-2.2025,-2.438,-.1193;-4.2318,1.9242,-.4769;.1731,-1.2972,.7523;-.9996,-2.8099,-.7022;.1815,-2.2453,-.2591;-3.1289,2.9383,-.2935;-1.7927,2.5599,-.3521;-3.4472,4.2811,-.1095;-.8003,3.5192,-.2143;-2.4458,5.2334,.0027;-1.1105,4.8576,-.0389;2.435,-2.0227,-1.0282;1.0975,2.5049,.7587;2.3639,1.9741,.5313;.5005,2.382,2.0082;3.0282,1.3197,1.5556;1.1789,1.718,3.0231;2.4396,1.1825,2.8074;-4.7406,.7256,1.7721;-3.0012,1.0202,1.7331;-4.6386,-2.9439,1.3157;-5.6608,-1.5414,1.5922;-4.9333,-1.7945,.0129;-3.253,-2.2811,3.3494;-4.3812,-.947,3.5747;-2.6517,-.634,3.5219;-1.0267,-.1948,2.1012;-3.105,-2.9063,-.4868;-4.5012,1.8782,-1.5362;-5.1288,2.2619,.0602;1.0744,-.8421,1.14;-.9831,-3.5468,-1.4954;-1.5165,1.5223,-.5011;-4.4862,4.5849,-.0566;-2.704,6.2756,.1397;-.3213,5.5919,.0633;2.8243,2.0829,-.4427;-.4801,2.7949,2.2065;4.0149,.9145,1.3716;.7081,1.6256,3.9937;2.9598,.6679,3.6044; 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 1732 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 244 Dim 1269 ENuc 3543.4156176304 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 4.960e-06 Time for diagonalization 0.671 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.702 sec Total time needed 1.386 sec 35 9 9 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:3.5494,-2.9247,-2.3313;3.1395,-1.9024,.1056;2.1819,-.7845,-1.4579;-3.8801,.6202,-.1037;1.3282,-2.7507,-.8647;.5205,3.1517,-.2928;-3.5574,-1.0686,1.5689;-3.8029,.4159,1.2878;-2.2539,-1.4953,.9028;-4.7568,-1.8836,1.0847;-3.4484,-1.2398,3.0886;-1.0436,-.9358,1.3119;-2.2025,-2.438,-.1193;-4.2318,1.9242,-.4769;.1731,-1.2972,.7523;-.9996,-2.8099,-.7022;.1815,-2.2453,-.2591;-3.1289,2.9383,-.2935;-1.7927,2.5599,-.3521;-3.4472,4.2811,-.1095;-.8003,3.5192,-.2143;-2.4458,5.2334,.0027;-1.1105,4.8576,-.0389;2.435,-2.0227,-1.0282;1.0975,2.5049,.7587;2.3639,1.9741,.5313;.5005,2.382,2.0082;3.0282,1.3197,1.5556;1.1789,1.718,3.0231;2.4396,1.1825,2.8074;-4.7406,.7256,1.7721;-3.0012,1.0202,1.7331;-4.6386,-2.9439,1.3157;-5.6608,-1.5414,1.5922;-4.9333,-1.7945,.0129;-3.253,-2.2811,3.3494;-4.3812,-.947,3.5747;-2.6517,-.634,3.5219;-1.0267,-.1948,2.1012;-3.105,-2.9063,-.4868;-4.5012,1.8782,-1.5362;-5.1288,2.2619,.0602;1.0744,-.8421,1.14;-.9831,-3.5468,-1.4954;-1.5165,1.5223,-.5011;-4.4862,4.5849,-.0566;-2.704,6.2756,.1397;-.3213,5.5919,.0632;2.8243,2.0829,-.4427;-.4801,2.7949,2.2065;4.0149,.9145,1.3716;.7081,1.6256,3.9937;2.9598,.6679,3.6044; 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" 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:3.5494,-2.9247,-2.3313;3.1395,-1.9024,.1056;2.1819,-.7845,-1.4579;-3.8801,.6202,-.1037;1.3282,-2.7507,-.8647;.5205,3.1517,-.2928;-3.5574,-1.0686,1.5689;-3.8029,.4159,1.2878;-2.2539,-1.4953,.9028;-4.7568,-1.8836,1.0847;-3.4484,-1.2398,3.0886;-1.0436,-.9358,1.3119;-2.2025,-2.438,-.1193;-4.2318,1.9242,-.4769;.1731,-1.2972,.7523;-.9996,-2.8099,-.7022;.1815,-2.2453,-.2591;-3.1289,2.9383,-.2935;-1.7927,2.5599,-.3521;-3.4472,4.2811,-.1095;-.8003,3.5192,-.2143;-2.4458,5.2334,.0027;-1.1105,4.8576,-.0389;2.435,-2.0227,-1.0282;1.0975,2.5049,.7587;2.3639,1.9741,.5313;.5005,2.382,2.0082;3.0282,1.3197,1.5556;1.1789,1.718,3.0231;2.4396,1.1825,2.8074;-4.7406,.7256,1.7721;-3.0012,1.0202,1.7331;-4.6386,-2.9439,1.3157;-5.6608,-1.5414,1.5922;-4.9333,-1.7945,.0129;-3.253,-2.2811,3.3494;-4.3812,-.947,3.5747;-2.6517,-.634,3.5219;-1.0267,-.1948,2.1012;-3.105,-2.9063,-.4868;-4.5012,1.8782,-1.5362;-5.1288,2.2619,.0602;1.0744,-.8421,1.14;-.9831,-3.5468,-1.4954;-1.5165,1.5223,-.5011;-4.4862,4.5849,-.0566;-2.704,6.2756,.1397;-.3213,5.5919,.0633;2.8243,2.0829,-.4427;-.4801,2.7949,2.2065;4.0149,.9145,1.3716;.7081,1.6256,3.9937;2.9598,.6679,3.6044; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Br F O C H 3.0600 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 3069 GEPOL Volume 3291.7932 GEPOL Surface-area 1747.5757 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.1s) Overall time for CPCM initialization 1.2s -3928.11333569 3543.41561763 -7471.52895332 -12484.14823311 5012.61927979 -0.02217380 -7846.89701763 3918.78368194 2.00238075 122.000061807859 122.000061807859 244.000123615718 -198.379439896168 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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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 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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155.9797 156.1617 156.6720 156.9604 157.2664 157.6442 157.9501 158.3149 158.5273 158.7226 159.2471 159.5640 159.9241 160.3153 160.6138 160.7783 160.9753 161.2962 161.7309 162.5614 162.8627 163.5802 164.1148 165.1908 165.7013 166.0870 166.4360 166.8121 168.2827 170.3310 171.3312 171.8001 172.9251 173.7234 174.7323 175.8919 176.2907 176.7247 177.9214 178.5798 181.8903 183.3614 184.5650 185.3356 186.4039 187.8038 188.3526 188.4426 188.5906 188.7401 188.9177 189.0990 190.0438 190.2127 191.4589 191.5749 191.9159 192.4342 193.4538 195.1717 195.9363 196.8508 199.3401 199.6638 200.8456 201.5977 203.2859 204.6862 204.7599 206.3216 206.9912 207.4490 207.8788 209.8826 228.4703 230.2284 232.0596 232.7218 239.7777 242.4361 244.0473 246.1077 247.7795 247.9359 620.4972 620.5977 622.8422 624.4299 628.3621 631.7515 632.6233 633.6817 634.0616 634.6640 635.0604 635.7787 635.9347 636.4270 637.2281 637.3251 638.8876 640.3992 642.3830 648.4033 651.4236 657.3772 657.5386 658.5671 1209.9243 1212.5644 1215.9755 1556.6324 1563.8559 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 Br F F O 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 H H H H H H H H H H H H H H H H H H H H H H H -0.046670 -0.162301 -0.159493 -0.370164 -0.267705 -0.329716 0.385968 -0.087326 -0.034991 -0.370152 -0.334541 -0.292313 -0.173465 0.060270 -0.129601 -0.173678 0.197627 0.050428 -0.238587 -0.211276 0.237799 -0.130787 -0.205103 0.431709 0.346476 -0.256602 -0.236974 -0.132361 -0.161558 -0.173071 0.112875 0.104294 0.110196 0.102627 0.096233 0.109461 0.102898 0.100830 0.148586 0.143008 0.108616 0.096925 0.144331 0.144074 0.147383 0.140939 0.157298 0.145968 0.138800 0.149382 0.152698 0.157146 0.153592 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 Br F F O 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 H H H H H H H H H H H H H H H H H H H H H H H 35.0467 9.1623 9.1595 8.3702 8.2677 8.3297 5.6140 6.0873 6.0350 6.3702 6.3345 6.2923 6.1735 5.9397 6.1296 6.1737 5.8024 5.9496 6.2386 6.2113 5.7622 6.1308 6.2051 5.5683 5.6535 6.2566 6.2370 6.1324 6.1616 6.1731 0.8871 0.8957 0.8898 0.8974 0.9038 0.8905 0.8971 0.8992 0.8514 0.8570 0.8914 0.9031 0.8557 0.8559 0.8526 0.8591 0.8427 0.8540 0.8612 0.8506 0.8473 0.8429 0.8464 35.0000 9.0000 9.0000 8.0000 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 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 -0.0467 -0.1623 -0.1595 -0.3702 -0.2677 -0.3297 0.3860 -0.0873 -0.0350 -0.3702 -0.3345 -0.2923 -0.1735 0.0603 -0.1296 -0.1737 0.1976 0.0504 -0.2386 -0.2113 0.2378 -0.1308 -0.2051 0.4317 0.3465 -0.2566 -0.2370 -0.1324 -0.1616 -0.1731 0.1129 0.1043 0.1102 0.1026 0.0962 0.1095 0.1029 0.1008 0.1486 0.1430 0.1086 0.0969 0.1443 0.1441 0.1474 0.1409 0.1573 0.1460 0.1388 0.1494 0.1527 0.1571 0.1536 1.1852 1.1268 1.1396 1.9318 2.1500 2.0760 3.5837 3.9276 3.6571 3.9262 3.9232 4.0672 3.9752 3.9025 3.9422 4.0098 3.8533 3.5449 3.9982 3.9584 3.7380 3.8824 3.9975 4.5452 3.6243 3.9427 3.8289 3.8516 3.8739 3.8577 1.0036 0.9847 0.9998 1.0061 1.0118 1.0031 1.0037 1.0011 0.9979 0.9973 0.9895 0.9986 1.0134 1.0066 1.0125 1.0015 0.9897 1.0035 1.0150 1.0060 0.9936 0.9921 0.9914 1.1852 1.1268 1.1396 1.9318 2.1500 2.0760 3.5837 3.9276 3.6571 3.9262 3.9232 4.0672 3.9752 3.9025 3.9422 4.0098 3.8533 3.5449 3.9982 3.9584 3.7380 3.8824 3.9975 4.5452 3.6243 3.9427 3.8289 3.8516 3.8739 3.8577 1.0036 0.9847 0.9998 1.0061 1.0118 1.0031 1.0037 1.0011 0.9979 0.9973 0.9895 0.9986 1.0134 1.0066 1.0125 1.0015 0.9897 1.0035 1.0150 1.0060 0.9936 0.9921 0.9914 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 1.1265 1.0940 1.1007 0.9237 0.9937 0.8927 1.1829 0.8798 0.9958 0.9264 0.8820 0.8945 0.9297 0.9814 0.9925 1.3645 1.3482 1.0021 0.9932 0.9931 0.9940 0.9865 0.9817 1.4870 0.9663 1.4845 0.9715 0.9005 0.9603 1.0335 1.4131 0.9337 1.4013 0.9873 1.3410 1.3782 1.4080 0.9747 1.4394 0.9895 1.4080 1.3996 0.9800 0.9879 1.3337 1.3024 1.4311 1.0020 1.3779 0.9870 1.3639 0.9956 1.4145 0.9889 0.9950 0 23 1 23 2 23 3 7 3 13 4 16 4 23 5 20 5 24 6 7 6 8 6 9 6 10 7 30 7 31 8 11 8 12 9 32 9 33 9 34 10 35 10 36 10 37 11 14 11 38 12 15 12 39 13 17 13 40 13 41 14 16 14 42 15 16 15 43 17 18 17 19 18 20 18 44 19 21 19 45 20 22 21 22 21 46 22 47 24 25 24 26 25 27 25 48 26 28 26 49 27 29 27 50 28 29 28 51 29 52 -0.032617223 -3928.145952912562 -80.96698 79.06096 -1.90602 43.55710 -42.97339 0.58371 48.23412 -46.95289 1.28123 2.36964 6.02313