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:2.7545,-2.6228,1.7755;2.9454,-2.4166,-.8854;3.4592,-4.3694,-.1466;-4.073,1.3771,1.0086;1.3816,-3.8787,-.2874;.2208,4.5641,-1.0435;-3.4115,-.874,.4522;-2.9574,.5285,.8778;-2.1356,-1.6899,.2683;-4.1808,-.8048,-.874;-4.333,-1.4664,1.5177;-1.2544,-1.3759,-.7691;-1.7878,-2.7458,1.1066;-3.7347,2.7297,1.2251;-.0755,-2.0754,-.9683;-.6089,-3.4568,.928;.2401,-3.1084,-.1027;-3.0654,3.3415,.022;-1.725,3.6974,.0699;-3.7701,3.4856,-1.1719;-1.093,4.1825,-1.069;-3.1363,3.9889,-2.296;-1.7905,4.3318,-2.2559;2.5878,-3.3749,-.0221;1.1512,3.7276,-.4899;2.1985,4.3188,.2036;1.0983,2.3474,-.6504;3.2011,3.5217,.7367;2.1039,1.5629,-.104;3.1575,2.1418,.5908;-2.4074,.4673,1.8291;-2.256,.9211,.1312;-4.4062,-1.8072,-1.2417;-5.1293,-.2824,-.7483;-3.6247,-.2823,-1.6532;-3.8662,-1.4968,2.5032;-4.6424,-2.48,1.2592;-5.2389,-.8691,1.6096;-1.4848,-.5727,-1.4569;-2.4332,-3.0397,1.922;-4.6729,3.2449,1.4421;-3.0911,2.8391,2.1077;.567,-1.8213,-1.8003;-.3621,-4.2788,1.5878;-1.1726,3.5853,.9964;-4.8161,3.2078,-1.2217;-3.6864,4.1055,-3.2209;-1.2885,4.7113,-3.1371;2.228,5.395,.3206;.2903,1.8813,-1.2007;4.0168,3.9862,1.2759;2.0644,.4889,-.2351;3.9385,1.5228,1.0127; 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 3475.4466346711 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 5.950e-06 Time for diagonalization 0.763 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.700 sec Total time needed 1.479 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:2.7545,-2.6228,1.7755;2.9454,-2.4166,-.8854;3.4592,-4.3694,-.1466;-4.073,1.3771,1.0086;1.3816,-3.8787,-.2874;.2208,4.5641,-1.0435;-3.4115,-.874,.4522;-2.9574,.5285,.8778;-2.1356,-1.6899,.2683;-4.1808,-.8048,-.874;-4.333,-1.4664,1.5177;-1.2544,-1.3759,-.7691;-1.7878,-2.7458,1.1066;-3.7347,2.7297,1.2251;-.0755,-2.0754,-.9683;-.6089,-3.4568,.928;.2401,-3.1084,-.1027;-3.0654,3.3415,.022;-1.725,3.6974,.0699;-3.7701,3.4856,-1.1719;-1.093,4.1825,-1.069;-3.1363,3.9889,-2.296;-1.7905,4.3318,-2.2559;2.5878,-3.3749,-.0221;1.1512,3.7276,-.4899;2.1985,4.3188,.2036;1.0983,2.3474,-.6504;3.2011,3.5217,.7367;2.1039,1.5629,-.104;3.1575,2.1418,.5908;-2.4074,.4673,1.8291;-2.256,.9211,.1312;-4.4062,-1.8072,-1.2417;-5.1293,-.2824,-.7483;-3.6247,-.2823,-1.6532;-3.8662,-1.4968,2.5032;-4.6424,-2.48,1.2592;-5.2389,-.8691,1.6096;-1.4848,-.5727,-1.4569;-2.4332,-3.0397,1.922;-4.6729,3.2449,1.4421;-3.0911,2.8391,2.1077;.567,-1.8213,-1.8003;-.3621,-4.2788,1.5878;-1.1726,3.5853,.9964;-4.8161,3.2078,-1.2217;-3.6864,4.1055,-3.2209;-1.2885,4.7113,-3.1371;2.228,5.395,.3206;.2903,1.8813,-1.2007;4.0168,3.9862,1.2759;2.0644,.4889,-.2351;3.9385,1.5228,1.0127; 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:2.7545,-2.6228,1.7755;2.9454,-2.4166,-.8854;3.4592,-4.3694,-.1466;-4.073,1.3771,1.0086;1.3816,-3.8787,-.2874;.2208,4.5641,-1.0435;-3.4115,-.874,.4522;-2.9574,.5285,.8778;-2.1356,-1.6899,.2683;-4.1808,-.8048,-.874;-4.333,-1.4664,1.5177;-1.2544,-1.3759,-.7691;-1.7878,-2.7458,1.1066;-3.7347,2.7297,1.2251;-.0755,-2.0754,-.9683;-.6089,-3.4568,.928;.2401,-3.1084,-.1027;-3.0654,3.3415,.022;-1.725,3.6974,.0699;-3.7701,3.4856,-1.1719;-1.093,4.1825,-1.069;-3.1363,3.9889,-2.296;-1.7905,4.3318,-2.2559;2.5878,-3.3749,-.0221;1.1512,3.7276,-.4899;2.1985,4.3188,.2036;1.0983,2.3474,-.6504;3.2011,3.5217,.7367;2.1039,1.5629,-.104;3.1575,2.1418,.5908;-2.4074,.4673,1.8291;-2.256,.9211,.1312;-4.4062,-1.8072,-1.2417;-5.1293,-.2824,-.7483;-3.6247,-.2823,-1.6532;-3.8662,-1.4968,2.5032;-4.6424,-2.48,1.2592;-5.2389,-.8691,1.6096;-1.4848,-.5727,-1.4569;-2.4332,-3.0397,1.922;-4.6729,3.2449,1.4421;-3.0911,2.8391,2.1077;.567,-1.8213,-1.8003;-.3621,-4.2788,1.5878;-1.1726,3.5853,.9964;-4.8161,3.2078,-1.2217;-3.6864,4.1055,-3.2209;-1.2885,4.7113,-3.1371;2.228,5.395,.3206;.2903,1.8813,-1.2007;4.0168,3.9862,1.2759;2.0644,.4889,-.2351;3.9385,1.5228,1.0127; 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 2985 GEPOL Volume 3247.5508 GEPOL Surface-area 1696.2316 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.0s) Overall time for CPCM initialization 1.2s -3928.11482285 3475.44663467 -7403.56145752 -12346.89971840 4943.33826088 -0.02206301 -7846.91228693 3918.79746408 2.00237761 122.000140636303 122.000140636303 244.000281272607 -198.378878549056 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 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 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 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 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 0.0000 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 -13141.5734 -1704.1232 -1535.4573 -1535.3792 -1535.3752 -675.7705 -675.6885 -525.3534 -524.5489 -523.5475 -287.3604 -281.7150 -281.5333 -281.5069 -280.8759 -280.6731 -280.1401 -280.1111 -280.0061 -279.9920 -279.9587 -279.8769 -279.8582 -279.8397 -279.8240 -279.8082 -279.7668 -279.7554 -279.7358 -279.7041 -279.6519 -279.6175 -279.0961 -279.0653 -240.1530 -180.9980 -180.6864 -180.6831 -75.1940 -75.1082 -75.1054 -74.8482 -74.8481 -39.0592 -37.0412 -33.7036 -32.9083 -31.6079 -27.1353 -26.9405 -26.5470 -25.7270 -25.3130 -24.3915 -23.9509 -23.8806 -23.7705 -23.6419 -23.0511 -22.2522 -21.9728 -21.7256 -20.9205 -20.4541 -20.3281 -19.9658 -19.7410 -19.3308 -19.2696 -18.9062 -18.5891 -18.2930 -18.0684 -17.6253 -16.8067 -16.7219 -16.3356 -16.1903 -16.0699 -15.8949 -15.8390 -15.8086 -15.5669 -15.4593 -15.3916 -15.0349 -14.9168 -14.7658 -14.6302 -14.6021 -14.3579 -14.3277 -14.1846 -13.9936 -13.7833 -13.5840 -13.5310 -13.3502 -13.1405 -12.9315 -12.8180 -12.7363 -12.5613 -12.4791 -12.4016 -12.3531 -12.0523 -11.9094 -11.7740 -11.5769 -11.4132 -11.2619 -11.0385 -10.9767 -10.8907 -9.8552 -9.5976 -9.5424 -9.3749 -9.2496 -9.1420 -8.4511 1.2091 1.3177 1.4479 1.5143 1.8085 1.8745 2.0378 3.0203 3.5744 3.7231 3.9092 4.0091 4.1867 4.3276 4.4564 4.6432 4.7343 4.8379 4.9224 4.9925 5.0527 5.2964 5.3420 5.3983 5.4443 5.5146 5.5535 5.7736 5.7860 5.9406 5.9899 6.0697 6.2065 6.2943 6.3899 6.4492 6.5752 6.6767 6.7210 6.9212 6.9588 7.0857 7.1759 7.3044 7.5250 7.5456 7.5991 7.6411 7.7003 7.8746 7.9672 8.1039 8.1227 8.2853 8.3324 8.3817 8.5174 8.5491 8.6678 8.7795 8.8594 9.0241 9.0363 9.1196 9.2089 9.3785 9.4408 9.4970 9.5587 9.7177 9.8069 9.9482 9.9911 10.0284 10.1668 10.2109 10.3104 10.4416 10.6469 10.7171 10.8507 10.8719 10.9760 11.1557 11.2117 11.2918 11.3401 11.3564 11.4529 11.6014 11.6282 11.6848 11.8000 11.8569 11.8921 12.1218 12.1765 12.3179 12.3828 12.4866 12.5697 12.7567 12.8244 12.8907 12.9459 12.9813 13.1351 13.2242 13.2668 13.3574 13.4417 13.4752 13.5540 13.6430 13.7128 13.8600 13.9916 14.0302 14.1578 14.1775 14.2412 14.3163 14.3520 14.4312 14.6464 14.7607 14.8242 14.8614 14.9702 15.0130 15.2157 15.2728 15.3094 15.3689 15.4429 15.5301 15.7646 15.7720 15.9025 16.0473 16.0812 16.2137 16.2365 16.3061 16.4628 16.5448 16.6741 16.8215 16.8993 16.9554 17.0855 17.1259 17.2919 17.4232 17.5281 17.7026 17.7993 17.9520 18.0614 18.2711 18.3550 18.4802 18.7258 18.8927 18.9969 19.3368 19.4027 19.5096 19.6288 19.6673 19.7838 19.9068 20.0571 20.1282 20.2334 20.4135 20.5110 20.5552 20.6525 20.7740 20.8676 20.9786 21.0907 21.2876 21.3393 21.4512 21.5137 21.6126 21.6580 21.7111 21.8306 22.0610 22.1591 22.2334 22.3626 22.4505 22.5615 22.7352 22.7962 22.9872 23.0395 23.2117 23.4472 23.5123 23.6269 23.7608 23.8756 23.9724 24.2371 24.2694 24.3297 24.4017 24.4473 24.5169 24.6443 24.8812 24.9200 25.1777 25.3126 25.3798 25.4406 25.5148 25.6113 25.8393 25.8620 25.9521 26.0972 26.2392 26.3203 26.5559 26.7785 26.7980 26.9096 27.0777 27.2250 27.3865 27.4532 27.6600 27.7511 27.9097 27.9692 28.1554 28.2945 28.3501 28.6299 28.6871 28.8639 28.8943 29.0883 29.2520 29.2890 29.4197 29.6246 29.6760 29.7418 29.8551 29.9287 30.0779 30.0945 30.2180 30.2462 30.3995 30.6168 30.7053 30.7715 30.9263 30.9712 31.0791 31.1825 31.3065 31.4895 31.6144 31.6802 31.8140 32.0315 32.2615 32.4096 32.4829 32.5883 32.7210 32.9745 33.0436 33.2028 33.2067 33.4169 33.5308 33.7605 33.8324 33.9027 34.0778 34.3285 34.5255 34.6213 34.7763 34.9277 35.2090 35.2482 35.3873 35.4543 35.6072 35.6437 35.9593 36.0030 36.1858 36.2449 36.3365 36.4221 36.4692 36.6799 36.8372 36.9489 37.1430 37.2654 37.3834 37.4957 37.8231 37.8804 37.9656 38.0826 38.1706 38.2837 38.3370 38.5045 38.5919 38.6414 38.7124 38.7823 38.9519 39.0412 39.2598 39.3501 39.3728 39.5224 39.5860 39.6890 39.8536 39.9397 40.0417 40.1268 40.2165 40.3319 40.5025 40.5670 40.7458 40.8595 40.9181 41.0258 41.1601 41.3317 41.5068 41.6903 41.7577 41.8259 41.9324 42.0526 42.2182 42.3931 42.5906 42.6612 42.7052 42.8964 43.0541 43.1603 43.3152 43.3662 43.6575 43.7770 43.9141 44.0402 44.1631 44.2771 44.3253 44.5238 44.6489 44.6982 44.7642 44.8523 44.9003 45.1036 45.1424 45.3140 45.4199 45.5150 45.6607 45.8876 45.9358 46.0611 46.2201 46.3297 46.3924 46.4751 46.6363 46.7688 46.9388 46.9979 47.0838 47.2502 47.3562 47.4853 47.5595 47.7979 48.0060 48.2005 48.3006 48.3391 48.4827 48.6394 48.7088 48.8033 48.8182 49.0899 49.2028 49.2935 49.3569 49.6102 49.6827 50.0165 50.0865 50.3156 50.3794 50.5503 50.6926 50.7903 50.8482 51.1378 51.3129 51.3857 51.5174 51.9946 52.1928 52.2293 52.5480 52.6676 52.8621 53.1009 53.1692 53.2628 53.5555 53.5608 53.7627 53.9321 54.3194 54.7129 54.9542 55.0918 55.1800 55.2378 55.4472 55.7951 55.9982 56.2004 56.2962 56.4248 56.6925 56.9575 57.1196 57.2249 57.3371 57.3930 57.5711 57.6299 57.8216 57.9869 58.2268 58.4231 58.5706 59.0355 59.4683 59.6217 59.8769 60.0663 60.1320 60.4329 60.5936 60.7993 61.0093 61.2715 61.3563 61.9281 62.1044 62.3753 62.5790 62.6249 63.0210 63.2422 63.4137 63.4663 63.7898 64.0193 64.0529 64.4345 64.5286 64.8968 64.9548 65.1771 65.3973 65.4415 65.5551 65.8014 65.9993 66.1889 66.2305 66.3816 66.6598 66.6976 66.8512 67.2342 67.4576 67.5725 67.7194 67.8599 68.1038 68.2505 68.4447 68.6639 68.9887 69.1928 69.2886 69.3557 69.6252 69.9606 70.4348 70.6499 71.1325 71.2463 71.6782 71.9930 72.2176 72.4368 73.1312 73.2857 73.4709 73.8273 74.1724 74.3536 74.3924 74.5894 74.8181 74.9989 75.0925 75.2336 75.3636 75.5889 75.8012 75.9058 76.2227 76.4228 76.5037 76.5314 76.7023 76.8661 76.9920 77.0818 77.1855 77.3702 77.5532 77.8442 77.9879 78.0250 78.1010 78.2112 78.4995 78.5585 78.6094 78.7366 78.8498 78.8934 78.9943 79.2145 79.2861 79.4609 79.4836 79.6253 79.7288 79.8442 79.9249 80.0277 80.1280 80.2885 80.5317 80.5726 81.0914 81.1296 81.1926 81.4565 81.5857 81.7740 81.9026 82.1546 82.2583 82.3438 82.4254 82.4935 82.6452 82.7150 83.0983 83.1865 83.3068 83.4199 83.5685 83.6361 83.6651 83.8373 84.0105 84.1564 84.3190 84.5160 84.5924 84.7420 84.7731 85.0499 85.1079 85.2533 85.3654 85.4560 85.5295 85.7253 85.7614 85.8251 85.9544 86.0173 86.1751 86.1902 86.2803 86.3914 86.5430 86.5583 86.6384 86.7545 86.8764 86.9643 86.9953 87.0698 87.2188 87.2633 87.5503 87.7338 87.8041 88.0206 88.0637 88.1099 88.4403 88.4962 88.5554 88.6205 88.7135 88.8312 88.9765 89.1009 89.2710 89.2970 89.3939 89.5249 89.7188 89.8047 89.8876 89.9717 90.1176 90.2289 90.3436 90.4811 90.7470 90.8190 90.9579 91.0111 91.2052 91.2525 91.6011 91.7382 91.8362 91.9279 92.0632 92.2306 92.2901 92.4573 92.5893 92.7544 92.8408 92.9185 93.0354 93.0450 93.1619 93.2902 93.2994 93.4230 93.5345 93.5876 93.6962 93.8921 93.9974 94.1844 94.1962 94.2885 94.3936 94.4905 94.6947 94.7686 94.8839 95.0660 95.1898 95.3155 95.3601 95.5117 95.6713 95.7628 95.8802 95.9701 96.2237 96.2909 96.3901 96.6817 96.7685 96.8233 97.0881 97.1840 97.2488 97.2695 97.3655 97.4860 97.5537 97.7214 98.0134 98.0388 98.2215 98.3350 98.6170 98.6981 98.8215 98.9907 99.1558 99.1983 99.4198 99.4798 99.6187 99.6896 99.8384 100.0293 100.1208 100.2195 100.3257 100.5592 100.7128 101.0070 101.0386 101.2476 101.4989 101.5115 101.5191 101.9663 102.1989 102.3695 102.6864 102.7954 102.8882 103.1069 103.2721 103.2814 103.4163 103.6930 103.7931 104.1322 104.3582 104.4194 104.6760 104.8302 104.9519 105.0969 105.1480 105.2953 105.4317 105.5086 105.6724 105.7145 105.7802 105.8714 105.9044 106.0436 106.1007 106.2227 106.3355 106.3556 106.5186 106.5334 106.7248 106.7612 106.9071 107.1750 107.1910 107.2991 107.3569 107.5070 107.5754 107.7264 107.9710 108.0067 108.0753 108.3101 108.3544 108.4997 108.6793 108.8109 108.9314 109.2673 109.3250 109.5722 109.6575 109.8163 109.9216 110.1285 110.3654 110.6158 110.8101 110.9941 111.0278 111.1434 111.3883 111.5523 111.7435 111.8886 112.1234 112.3687 112.7111 112.8678 112.8817 113.1360 113.3204 113.3697 113.6017 113.6799 113.8234 113.9104 114.1559 114.3533 114.4874 114.6816 114.7903 114.9070 115.0503 115.2030 115.4380 115.6095 115.7437 116.0546 116.0791 116.3434 116.4433 116.5285 116.6705 116.7725 116.9592 117.0965 117.2044 117.3016 117.3534 117.4311 117.7082 117.7819 117.8814 117.9494 118.0018 118.1286 118.2235 118.2831 118.3689 118.4095 118.5127 118.6770 118.8334 118.8583 119.0720 119.0966 119.2729 119.3336 119.4541 119.5724 119.6623 119.7247 119.8229 120.0087 120.1660 120.1850 120.3279 120.5092 120.5747 120.6322 120.8997 121.1379 121.4796 121.5497 121.6397 121.8247 121.9466 122.1657 122.3881 122.5107 122.7265 122.8283 123.2153 123.4308 123.6244 123.8820 124.1335 124.4577 124.7014 124.9292 125.1727 125.7028 125.7448 126.0420 126.1860 126.6747 126.8103 126.9628 127.2098 127.2990 127.9849 128.2135 128.2751 128.6327 128.7485 128.9153 129.2084 129.3394 129.6799 129.8503 130.0278 130.1456 130.2982 130.5920 130.7454 130.8518 130.9544 131.1290 131.3056 131.4660 131.6934 131.7204 131.7902 131.8758 132.0690 132.2571 132.5185 132.5878 132.8536 132.9109 132.9362 133.0034 133.0912 133.3997 133.6222 133.8143 134.1321 134.2618 134.3598 134.8865 135.0814 135.3030 135.6990 135.8170 135.9099 136.2988 136.6826 136.7433 136.9415 137.2775 137.4494 137.6098 138.0862 138.4237 138.4951 138.6156 138.7617 138.9573 139.0891 139.4214 139.7872 139.9528 140.0881 140.4880 141.0572 141.4338 141.5655 141.7722 142.1508 142.9870 143.5027 144.0058 144.0843 144.4021 144.5638 144.6505 144.7435 145.2064 145.2417 145.5783 145.8706 146.0201 146.5136 146.7083 146.7978 147.0996 147.2036 147.7167 147.9260 147.9678 148.0815 148.2084 148.3555 148.5181 148.6016 148.7694 149.0711 149.2455 149.5024 149.6474 150.0952 150.3014 150.6455 150.7938 150.8987 151.2886 151.6976 152.0939 152.3765 152.6041 152.8934 152.9315 153.3805 153.9342 154.4454 154.6716 154.9885 155.2771 155.4787 156.1263 156.3881 156.4842 156.9730 157.1258 157.1975 157.3124 158.0017 158.3718 158.7758 159.1287 159.5697 159.6790 160.1891 160.5021 160.7906 160.8597 161.3323 162.0894 162.3545 162.5260 163.5753 163.8375 164.2649 165.6404 167.1171 167.6849 169.0425 169.6901 170.0553 170.9073 171.5182 172.4798 172.7229 173.3248 174.4642 175.7372 177.0632 177.5818 177.8454 180.6369 183.1724 185.3568 185.4263 186.7858 187.4147 188.3444 188.4289 188.5602 188.5657 188.6116 189.5279 189.6939 190.0293 191.2983 191.3288 192.2510 193.8284 194.5928 195.5610 195.6827 196.1168 197.7446 199.9911 200.2001 201.7606 201.8563 204.3848 204.5726 206.0432 206.1993 206.4370 207.9678 209.9701 228.2586 229.8172 231.5207 232.6203 239.7918 241.7543 244.7937 245.2853 247.0658 247.9388 618.2326 620.4455 621.9169 624.8034 628.0190 631.1489 632.0576 633.0595 634.0255 634.2585 634.7410 635.2718 635.5400 636.0039 636.8044 637.5678 638.3164 639.7555 642.6077 649.0408 651.6302 657.1629 657.3704 658.1701 1209.1770 1211.4589 1214.9931 1556.0938 1558.8717 -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 -0.078503 -0.158186 -0.149404 -0.365478 -0.272744 -0.334252 0.435900 -0.085858 -0.070483 -0.365810 -0.370469 -0.193328 -0.162358 0.061165 -0.198652 -0.144061 0.165936 0.028146 -0.173384 -0.253928 0.241557 -0.123739 -0.227334 0.430818 0.278802 -0.246025 -0.202992 -0.111116 -0.110813 -0.201943 0.102393 0.089289 0.113763 0.097199 0.096334 0.098685 0.112203 0.100101 0.149448 0.146110 0.111501 0.096714 0.151199 0.149505 0.142271 0.141546 0.157052 0.146997 0.145160 0.154006 0.156599 0.148254 0.152205 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 35.0785 9.1582 9.1494 8.3655 8.2727 8.3343 5.5641 6.0859 6.0705 6.3658 6.3705 6.1933 6.1624 5.9388 6.1987 6.1441 5.8341 5.9719 6.1734 6.2539 5.7584 6.1237 6.2273 5.5692 5.7212 6.2460 6.2030 6.1111 6.1108 6.2019 0.8976 0.9107 0.8862 0.9028 0.9037 0.9013 0.8878 0.8999 0.8506 0.8539 0.8885 0.9033 0.8488 0.8505 0.8577 0.8585 0.8429 0.8530 0.8548 0.8460 0.8434 0.8517 0.8478 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 -0.0785 -0.1582 -0.1494 -0.3655 -0.2727 -0.3343 0.4359 -0.0859 -0.0705 -0.3658 -0.3705 -0.1933 -0.1624 0.0612 -0.1987 -0.1441 0.1659 0.0281 -0.1734 -0.2539 0.2416 -0.1237 -0.2273 0.4308 0.2788 -0.2460 -0.2030 -0.1111 -0.1108 -0.2019 0.1024 0.0893 0.1138 0.0972 0.0963 0.0987 0.1122 0.1001 0.1494 0.1461 0.1115 0.0967 0.1512 0.1495 0.1423 0.1415 0.1571 0.1470 0.1452 0.1540 0.1566 0.1483 0.1522 1.1773 1.1257 1.1468 1.9418 2.1042 2.0687 3.4591 4.0232 3.6607 3.9326 3.9302 3.9750 3.9440 3.9045 4.0132 4.0098 3.7634 3.5329 3.8770 3.9558 3.7386 3.8969 4.0105 4.5536 3.7087 4.0033 3.9132 3.8848 3.8648 3.9240 1.0054 0.9769 1.0018 1.0130 1.0056 1.0005 0.9990 1.0183 0.9960 0.9985 0.9902 0.9996 1.0083 1.0042 1.0080 1.0071 0.9887 1.0049 1.0082 1.0000 0.9887 0.9871 0.9945 1.1773 1.1257 1.1468 1.9418 2.1042 2.0687 3.4591 4.0232 3.6607 3.9326 3.9302 3.9750 3.9440 3.9045 4.0132 4.0098 3.7634 3.5329 3.8770 3.9558 3.7386 3.8969 4.0105 4.5536 3.7087 4.0033 3.9132 3.8848 3.8648 3.9240 1.0054 0.9769 1.0018 1.0130 1.0056 1.0005 0.9990 1.0183 0.9960 0.9985 0.9902 0.9996 1.0083 1.0042 1.0080 1.0071 0.9887 1.0049 1.0082 1.0000 0.9887 0.9871 0.9945 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 1.0624 1.0986 1.1535 0.9729 0.9866 0.8070 1.1907 0.9272 0.9471 0.9268 0.8558 0.8899 0.9044 0.9747 0.9910 1.3353 1.3573 0.9929 0.9907 0.9900 0.9899 1.0035 0.9950 1.4825 0.9814 1.4631 0.9664 0.8935 0.9800 1.0291 1.3800 0.9908 1.4199 0.9791 1.3532 1.3480 1.3576 0.9819 1.4483 0.9980 1.4235 1.4080 0.9827 0.9837 1.3850 1.3503 1.4325 0.9841 1.4195 0.9626 1.4113 0.9811 1.4058 0.9715 0.9884 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 -0.030102235 -3928.144925084486 -70.02336 69.03767 -0.98569 49.12593 -48.87013 0.25580 -15.46758 15.76566 0.29809 1.06108 2.69704