Orca 5.0.2 RELEASE 1 2 3 11s6p2d1f 11s6p2d1f 5s2p1d 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 O O O 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 H H H H H 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 276.20149999999984 AuxInfo=1/0/N:21,22,12,17,10,11,14,13,4,9,15,6,5,18,20,8,16,19,7,3,1,2/E:(1,2)(5,6)/CRV:8.3,11.3,14.3,17.3,18.3,20.1/rA:56nOOO1CCCCCCCCCC3CC3C3CC3C3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s1s5;s6;s8;s7;s7;s8;s9;s1;s13;s15;s16;s16;s2s3s18;s2;s20;s20;s4;s4;s5;s5;s6;s6;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s14;s14;s14;s15;s17;s17;s17;s18;s20;s21;s21;s21;s22;s22;s22;/rC:-3.2091,3.5521,-1.021;4.6401,-1.2496,.6954;4.2265,-1.1464,-1.5017;-3.5648,.8422,.2049;-3.0462,2.0779,.9326;-2.8354,-.4205,.6486;-3.5121,3.4289,.3712;-3.2964,-1.695,-.06;-2.2714,-2.8292,.1224;-2.8684,4.5577,1.1747;-5.0286,3.5577,.4471;-4.6684,-2.1485,.4222;-1.0014,-2.5497,-.604;-1.8506,3.4936,-1.3903;.1829,-2.3447,-.0178;1.4167,-1.9883,-.7141;1.3547,-1.8623,-2.2027;2.5061,-1.7779,.0574;3.845,-1.3655,-.3691;6.009,-.8212,.5192;6.074,.6889,.3961;6.7691,-1.3315,1.7244;-3.4319,.9562,-.8754;-4.6404,.7375,.3707;-1.9512,2.0518,.9486;-3.3493,2.0334,1.9832;-2.9421,-.5556,1.7316;-1.766,-.2714,.469;-3.365,-1.4818,-1.1341;-2.706,-3.7559,-.2669;-2.0811,-2.9878,1.1882;-1.7806,4.4781,1.209;-3.2238,4.533,2.2053;-3.1245,5.5346,.7602;-5.3556,4.544,.1121;-5.5335,2.8114,-.168;-5.3696,3.4273,1.4743;-5.4209,-1.3681,.3016;-4.64,-2.4183,1.4808;-5.0142,-3.0226,-.1323;-1.0905,-2.4786,-1.6844;-1.2616,4.3237,-.9875;-1.8121,3.5581,-2.4783;-1.3619,2.5589,-1.0975;.2478,-2.4173,1.0644;.6337,-1.0925,-2.4833;2.3065,-1.6144,-2.6544;1.0014,-2.7955,-2.6445;2.3926,-1.9087,1.1275;6.4123,-1.285,-.3836;7.1122,.9984,.2736;5.5187,1.0587,-.4654;5.6845,1.1734,1.2929;7.8199,-1.0578,1.6331;6.7156,-2.4177,1.8024;6.391,-.8968,2.6509; 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 1452 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 172 Dim 1158 ENuc 1799.0669567258 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 2.410e-05 Time for diagonalization 0.531 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.505 sec Total time needed 1.047 sec 8 8 8 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 1 1 1 1 1 276.20149999999984 AuxInfo=1/0/N:21,22,12,17,10,11,14,13,4,9,15,6,5,18,20,8,16,19,7,3,1,2/E:(1,2)(5,6)/CRV:8.3,11.3,14.3,17.3,18.3,20.1/rA:56nOOO1CCCCCCCCCC3CC3C3CC3C3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s1s5;s6;s8;s7;s7;s8;s9;s1;s13;s15;s16;s16;s2s3s18;s2;s20;s20;s4;s4;s5;s5;s6;s6;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s14;s14;s14;s15;s17;s17;s17;s18;s20;s21;s21;s21;s22;s22;s22;/rC:-3.2091,3.5521,-1.021;4.6401,-1.2496,.6954;4.2265,-1.1464,-1.5017;-3.5648,.8422,.2049;-3.0462,2.0779,.9326;-2.8354,-.4205,.6486;-3.5121,3.4289,.3712;-3.2964,-1.695,-.06;-2.2714,-2.8292,.1224;-2.8684,4.5577,1.1747;-5.0286,3.5577,.4471;-4.6684,-2.1485,.4222;-1.0014,-2.5497,-.604;-1.8506,3.4936,-1.3903;.1829,-2.3447,-.0178;1.4167,-1.9883,-.7141;1.3547,-1.8623,-2.2027;2.5061,-1.7779,.0574;3.845,-1.3655,-.3691;6.009,-.8212,.5192;6.074,.6889,.3961;6.7691,-1.3315,1.7244;-3.4319,.9562,-.8754;-4.6404,.7375,.3707;-1.9512,2.0518,.9486;-3.3493,2.0334,1.9832;-2.9421,-.5556,1.7316;-1.766,-.2714,.469;-3.365,-1.4818,-1.1341;-2.706,-3.7559,-.2669;-2.0811,-2.9878,1.1882;-1.7806,4.4781,1.209;-3.2238,4.533,2.2053;-3.1245,5.5346,.7602;-5.3556,4.544,.1121;-5.5335,2.8114,-.168;-5.3696,3.4273,1.4743;-5.4209,-1.3681,.3016;-4.64,-2.4183,1.4808;-5.0142,-3.0226,-.1323;-1.0905,-2.4786,-1.6844;-1.2616,4.3237,-.9875;-1.8121,3.5581,-2.4783;-1.3619,2.5589,-1.0975;.2478,-2.4173,1.0644;.6337,-1.0925,-2.4833;2.3065,-1.6144,-2.6544;1.0014,-2.7955,-2.6445;2.3926,-1.9087,1.1275;6.4123,-1.285,-.3836;7.1122,.9984,.2736;5.5187,1.0587,-.4654;5.6845,1.1734,1.2929;7.8199,-1.0578,1.6331;6.7156,-2.4177,1.8024;6.391,-.8968,2.6509; 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" 276.20149999999984 AuxInfo=1/0/N:21,22,12,17,10,11,14,13,4,9,15,6,5,18,20,8,16,19,7,3,1,2/E:(1,2)(5,6)/CRV:8.3,11.3,14.3,17.3,18.3,20.1/rA:56nOOO1CCCCCCCCCC3CC3C3CC3C3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s1s5;s6;s8;s7;s7;s8;s9;s1;s13;s15;s16;s16;s2s3s18;s2;s20;s20;s4;s4;s5;s5;s6;s6;s8;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s14;s14;s14;s15;s17;s17;s17;s18;s20;s21;s21;s21;s22;s22;s22;/rC:-3.2091,3.5521,-1.021;4.6401,-1.2496,.6954;4.2265,-1.1464,-1.5017;-3.5648,.8422,.2049;-3.0462,2.0779,.9326;-2.8354,-.4205,.6486;-3.5121,3.4289,.3712;-3.2964,-1.695,-.06;-2.2714,-2.8292,.1224;-2.8684,4.5577,1.1747;-5.0286,3.5577,.4471;-4.6684,-2.1485,.4222;-1.0014,-2.5497,-.604;-1.8506,3.4936,-1.3903;.1829,-2.3447,-.0178;1.4167,-1.9883,-.7141;1.3547,-1.8623,-2.2027;2.5061,-1.7779,.0574;3.845,-1.3655,-.3691;6.009,-.8212,.5192;6.074,.6889,.3961;6.7691,-1.3315,1.7244;-3.4319,.9562,-.8754;-4.6404,.7375,.3707;-1.9512,2.0518,.9486;-3.3493,2.0334,1.9832;-2.9421,-.5556,1.7316;-1.766,-.2714,.469;-3.365,-1.4818,-1.1341;-2.706,-3.7559,-.2669;-2.0811,-2.9878,1.1882;-1.7806,4.4781,1.209;-3.2238,4.533,2.2053;-3.1245,5.5346,.7602;-5.3556,4.544,.1121;-5.5335,2.8114,-.168;-5.3696,3.4273,1.4743;-5.4209,-1.3681,.3016;-4.64,-2.4183,1.4808;-5.0142,-3.0226,-.1323;-1.0905,-2.4786,-1.6844;-1.2616,4.3237,-.9875;-1.8121,3.5581,-2.4783;-1.3619,2.5589,-1.0975;.2478,-2.4173,1.0644;.6337,-1.0925,-2.4833;2.3065,-1.6144,-2.6544;1.0014,-2.7955,-2.6445;2.3926,-1.9087,1.1275;6.4123,-1.285,-.3836;7.1122,.9984,.2736;5.5187,1.0587,-.4654;5.6845,1.1734,1.2929;7.8199,-1.0578,1.6331;6.7156,-2.4177,1.8024;6.391,-.8968,2.6509; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O C H 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 3365 GEPOL Volume 2402.0871 GEPOL Surface-area 1474.8535 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.0s) Overall time for CPCM initialization 1.1s -970.27506609 1799.06695673 -2769.34202281 -4890.61681204 2121.27478923 -0.02828445 -1935.88309317 965.60802708 2.00483326 85.999986696277 85.999986696277 171.999973392555 -96.762715284730 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 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718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 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19.3508 19.5554 19.6779 19.7030 19.8035 19.9663 20.0284 20.2988 20.3821 20.5831 20.9145 21.1430 21.1706 21.3601 21.4785 21.8875 21.9748 22.0316 22.1753 22.4522 22.6388 22.8654 23.0029 23.1600 23.1779 23.3748 23.5302 23.6281 23.7930 23.9020 24.1642 24.2361 24.4161 24.4544 24.6947 24.8106 24.9911 25.1146 25.2788 25.4876 25.5917 25.7471 26.0304 26.0983 26.2087 26.3741 26.4378 26.5445 26.7599 26.8239 26.8816 27.1979 27.3120 27.4453 27.5315 27.7399 27.9110 28.0837 28.2183 28.4809 28.5383 28.5687 28.6964 28.7226 28.7860 28.8548 29.0543 29.0877 29.2318 29.3090 29.3947 29.5986 29.7126 29.9019 29.9750 30.1011 30.2954 30.3756 30.6017 30.7782 30.8449 30.9277 31.0168 31.1605 31.3269 31.4970 31.6682 31.7336 31.9185 32.0341 32.0981 32.1760 32.3780 32.4827 32.5144 32.6413 32.7809 32.8358 33.0319 33.2170 33.2787 33.6050 33.6886 33.7757 33.9552 34.0635 34.0710 34.1893 34.4216 34.4496 34.5048 34.7568 34.9024 35.0148 35.0685 35.2626 35.4123 35.5272 35.6586 35.8007 35.8149 35.8986 36.0800 36.2626 36.5756 36.8102 36.8999 37.2043 37.2222 37.3872 37.5944 37.6751 37.8411 37.9445 38.0076 38.1394 38.3176 38.3860 38.5198 38.8665 38.9808 39.1539 39.2715 39.3602 39.4360 39.5669 39.7438 39.7870 39.8175 39.8918 39.9784 40.1819 40.2292 40.3758 40.5891 40.7997 40.9479 40.9824 41.0827 41.3456 41.3974 41.4388 41.6946 41.7709 41.9451 42.0180 42.1171 42.2064 42.3524 42.4379 42.5919 42.6627 42.7298 42.8195 42.9145 43.0359 43.0613 43.1737 43.2013 43.5083 43.5116 43.7213 43.8609 43.9565 44.1592 44.1973 44.3674 44.4074 44.4576 44.5516 44.7886 44.8984 45.0169 45.1981 45.2358 45.3086 45.3898 45.5897 45.6483 45.7300 45.7973 45.9422 46.0543 46.1554 46.3347 46.4883 46.5961 46.6593 46.8148 46.8878 46.9685 47.0339 47.1651 47.6345 47.7451 47.8054 47.9926 48.1258 48.3759 48.4901 48.6279 48.8818 49.1573 49.3538 49.4777 49.7244 50.1648 50.2090 50.3296 50.4038 50.6020 51.1018 51.2452 51.4109 51.8628 52.0963 52.5134 52.8560 53.1552 53.3142 53.7558 54.1085 54.3146 54.6566 54.7876 55.0907 55.3112 55.4540 55.8630 56.1444 56.4149 56.9373 57.5184 57.5503 57.7240 57.7745 57.9202 58.1831 58.8956 59.1115 59.2295 59.3328 59.8400 60.0464 60.1000 60.4152 60.6651 60.7858 61.1026 61.2251 61.4050 61.5044 61.6795 62.0443 62.3629 62.6591 62.8782 62.9631 63.0355 63.2310 63.7983 63.9775 64.1240 64.4169 64.5923 64.9309 65.1216 65.4039 65.6367 66.3208 66.5348 66.8502 66.9758 67.7765 68.2317 68.8567 69.2257 69.3202 69.5921 69.8129 70.0426 70.3846 70.5830 70.7025 70.9478 71.0748 71.3198 71.6313 71.7140 71.9072 72.0257 72.0660 72.2791 72.3878 72.4138 72.5430 72.8455 73.1430 73.1900 73.6323 74.0206 74.1516 74.2151 74.3189 74.4899 74.5852 74.6775 74.8456 75.0119 75.2891 75.4090 75.6264 75.9092 75.9927 76.1863 76.2446 76.6082 76.8069 77.1963 77.4251 77.6184 77.8445 77.9576 78.0421 78.1831 78.2312 78.4068 78.5172 78.7496 78.7862 78.9139 78.9338 79.1567 79.3651 79.4305 79.5057 79.6267 79.6975 79.7716 79.8840 80.0452 80.1119 80.2875 80.4164 80.6097 80.7747 80.8424 80.9604 81.1123 81.2684 81.4809 81.6077 81.7329 81.8277 82.0520 82.0797 82.2386 82.3023 82.3993 82.4727 82.5384 82.9375 83.0474 83.1717 83.3183 83.3614 83.4874 83.7111 83.8427 83.9111 84.1286 84.2370 84.3815 84.4160 84.5138 84.6047 84.7410 84.8265 84.9362 85.1099 85.2225 85.4246 85.4526 85.5216 85.5546 85.6831 85.8867 86.0072 86.2201 86.3522 86.4324 86.6789 86.7967 86.9994 87.0408 87.2006 87.3300 87.4389 87.6738 87.7876 87.8695 88.0076 88.2445 88.4382 88.6546 88.6984 88.8232 88.9345 88.9834 89.0164 89.2389 89.3884 89.5607 89.7688 89.7883 90.0066 90.1922 90.3083 90.4027 90.6094 90.8527 90.9830 91.0840 91.1494 91.2699 91.4660 91.5462 91.7884 91.8938 91.9866 92.0035 92.2406 92.3731 92.5058 92.5544 92.6887 92.7864 92.8780 93.0788 93.3085 93.3871 93.4679 93.6498 93.8226 93.9897 94.0854 94.1584 94.2700 94.3838 94.5445 94.5992 94.6545 94.8022 94.9892 95.1802 95.2653 95.4464 95.5349 95.7221 95.9018 96.1561 96.2364 96.2623 96.3787 96.5095 96.6625 96.8730 96.9404 97.0603 97.2605 97.3178 97.4175 97.6732 97.6891 97.8359 97.8835 98.0337 98.2261 98.3275 98.4642 98.5605 98.7583 98.9621 99.0429 99.1171 99.3079 99.4047 99.6329 99.7004 100.0258 100.1576 100.1683 100.3645 100.3951 100.6157 100.8330 100.9180 101.0888 101.2151 101.3660 101.5051 101.8004 101.9877 102.1840 102.3541 102.4209 102.4909 102.7284 102.8764 102.9320 103.1830 103.2776 103.3547 103.4909 103.6010 103.6764 104.0653 104.2987 104.4430 104.5434 104.6149 104.8875 105.0796 105.1158 105.4289 105.4801 105.6087 105.8589 105.9397 106.1397 106.2368 106.3269 106.4097 106.7210 107.0422 107.1632 107.3116 107.5326 107.7618 107.7924 107.9363 108.1172 108.1534 108.2430 108.3582 108.5885 108.7698 108.8371 108.9479 109.1389 109.4627 109.6664 109.7430 109.9351 109.9628 110.1996 110.2977 110.3417 110.5233 110.6258 110.7758 110.8348 110.9280 111.1431 111.2894 111.4219 111.6021 111.6403 111.7057 111.8752 112.0690 112.1478 112.3531 112.3922 112.5366 112.6824 112.7999 112.9164 113.1048 113.2183 113.2923 113.5294 113.6103 113.6881 113.9031 114.0015 114.1622 114.3650 114.4846 114.5049 114.5506 114.7153 114.7566 114.9409 115.1723 115.1943 115.3165 115.4241 115.6993 115.7594 115.8068 115.9597 116.0519 116.1516 116.3420 116.4617 116.5126 116.6483 116.6817 116.8340 116.9977 117.0983 117.2339 117.3153 117.6002 117.7120 117.7506 117.8713 117.9720 118.1201 118.3344 118.5689 118.6677 118.7178 119.0478 119.2725 119.5245 119.6747 119.7201 119.8389 120.0727 120.2007 120.3913 120.6029 120.7956 120.9872 121.0032 121.0963 121.3910 121.4757 121.6388 121.7603 121.9013 121.9368 122.2002 122.3904 122.6514 122.7551 122.8686 123.0265 123.2769 123.4202 123.4553 123.6407 123.8029 123.9324 124.3125 124.4348 124.6102 124.9450 124.9910 125.1117 125.5899 125.7472 125.8338 126.0768 126.3811 126.5428 126.9374 127.0630 127.1333 127.5011 127.6770 127.8644 127.9670 128.0842 128.5098 128.6233 128.6999 128.8205 129.0717 129.1841 129.5122 129.6223 129.8401 130.0286 130.2926 130.4126 130.5724 130.9670 131.1613 131.3524 131.4711 131.7549 131.8889 132.0715 132.2123 132.4770 132.5753 132.7630 132.9062 132.9902 133.0921 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6.45306 -5.14208 1.31098 1.40459 3.57018