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:1.9363,-3.6379,1.3176;1.993,-1.0695,2.1199;3.6311,-1.6119,.8429;-3.6201,1.5925,-1.1535;1.7483,-1.2519,-.0849;1.405,1.9112,.4298;-3.7949,-.81,-1.3347;-4.2879,.4603,-.6354;-2.3182,-.9873,-1.0076;-4.0575,-.7095,-2.8371;-4.6094,-1.9876,-.7893;-1.9212,-1.2387,.305;-1.3126,-.8531,-1.9606;-3.4236,2.6329,-.2177;-.5887,-1.3443,.6728;.0273,-.9663,-1.6218;.3814,-1.2075,-.3071;-2.2396,2.3664,.6754;-.9681,2.2889,.1087;-2.3986,2.1564,2.039;.1311,2.0342,.9141;-1.2919,1.8832,2.8345;-.0248,1.8269,2.2807;2.321,-1.7406,1.009;1.8104,2.5846,-.693;2.6417,1.9003,-1.5695;1.4795,3.9147,-.9242;3.139,2.5514,-2.6894;1.9745,4.5486,-2.0549;2.8024,3.8738,-2.9424;-5.371,.5637,-.7864;-4.1259,.3642,.4447;-3.7429,-1.6176,-3.3543;-5.1271,-.5859,-3.0143;-3.5506,.1314,-3.3097;-4.273,-2.9276,-1.2287;-5.6654,-1.8657,-1.0369;-4.5383,-2.0816,.2948;-2.6602,-1.3385,1.0895;-1.5553,-.6564,-2.9954;-3.2547,3.5426,-.7978;-4.3217,2.7995,.3877;-.3574,-1.5096,1.7143;.793,-.8589,-2.3795;-.8503,2.4338,-.9587;-3.3859,2.2076,2.4809;-1.4166,1.716,3.8963;.8405,1.6223,2.8983;2.9083,.8707,-1.3699;.8454,4.4576,-.235;3.7896,2.0156,-3.3681;1.7131,5.5827,-2.237;3.1861,4.3764,-3.82; 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 3662.7957132521 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 4.829e-06 Time for diagonalization 0.404 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.364 sec Total time needed 0.777 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:1.9363,-3.6379,1.3176;1.993,-1.0695,2.1199;3.6311,-1.6119,.8429;-3.6201,1.5925,-1.1535;1.7483,-1.2519,-.0849;1.405,1.9112,.4298;-3.7949,-.81,-1.3347;-4.2879,.4603,-.6354;-2.3182,-.9873,-1.0076;-4.0575,-.7095,-2.8371;-4.6094,-1.9876,-.7893;-1.9212,-1.2387,.305;-1.3126,-.8531,-1.9606;-3.4236,2.6329,-.2177;-.5887,-1.3443,.6728;.0273,-.9663,-1.6218;.3814,-1.2075,-.3071;-2.2396,2.3664,.6754;-.9681,2.2889,.1087;-2.3986,2.1564,2.039;.1311,2.0342,.9141;-1.2919,1.8832,2.8345;-.0248,1.8269,2.2807;2.321,-1.7406,1.009;1.8104,2.5846,-.693;2.6417,1.9003,-1.5695;1.4795,3.9147,-.9242;3.139,2.5514,-2.6894;1.9745,4.5486,-2.0549;2.8024,3.8738,-2.9424;-5.371,.5637,-.7864;-4.1259,.3642,.4447;-3.7429,-1.6176,-3.3543;-5.1271,-.5859,-3.0143;-3.5506,.1314,-3.3097;-4.273,-2.9276,-1.2287;-5.6654,-1.8657,-1.0369;-4.5383,-2.0816,.2948;-2.6602,-1.3385,1.0895;-1.5553,-.6564,-2.9954;-3.2547,3.5426,-.7978;-4.3217,2.7995,.3877;-.3574,-1.5096,1.7143;.793,-.8589,-2.3795;-.8503,2.4338,-.9587;-3.3859,2.2076,2.4809;-1.4166,1.716,3.8963;.8404,1.6223,2.8983;2.9083,.8707,-1.3699;.8454,4.4576,-.235;3.7896,2.0156,-3.3681;1.7131,5.5827,-2.2369;3.1861,4.3764,-3.82; 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" 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:1.9363,-3.6379,1.3176;1.993,-1.0695,2.1199;3.6311,-1.6119,.8429;-3.6201,1.5925,-1.1535;1.7483,-1.2519,-.0849;1.405,1.9112,.4298;-3.7949,-.81,-1.3347;-4.2879,.4603,-.6354;-2.3182,-.9873,-1.0076;-4.0575,-.7095,-2.8371;-4.6094,-1.9876,-.7893;-1.9212,-1.2387,.305;-1.3126,-.8531,-1.9606;-3.4236,2.6329,-.2177;-.5887,-1.3443,.6728;.0273,-.9663,-1.6218;.3814,-1.2075,-.3071;-2.2396,2.3664,.6754;-.9681,2.2889,.1087;-2.3986,2.1564,2.039;.1311,2.0342,.9141;-1.2919,1.8832,2.8345;-.0248,1.8269,2.2807;2.321,-1.7406,1.009;1.8104,2.5846,-.693;2.6417,1.9003,-1.5695;1.4795,3.9147,-.9242;3.139,2.5514,-2.6894;1.9745,4.5486,-2.0549;2.8024,3.8738,-2.9424;-5.371,.5637,-.7864;-4.1259,.3642,.4447;-3.7429,-1.6176,-3.3543;-5.1271,-.5859,-3.0143;-3.5506,.1314,-3.3097;-4.273,-2.9276,-1.2287;-5.6654,-1.8657,-1.0369;-4.5383,-2.0816,.2948;-2.6602,-1.3385,1.0895;-1.5553,-.6564,-2.9954;-3.2547,3.5426,-.7978;-4.3217,2.7995,.3877;-.3574,-1.5096,1.7143;.793,-.8589,-2.3795;-.8503,2.4338,-.9587;-3.3859,2.2076,2.4809;-1.4166,1.716,3.8963;.8405,1.6223,2.8983;2.9083,.8707,-1.3699;.8454,4.4576,-.235;3.7896,2.0156,-3.3681;1.7131,5.5827,-2.237;3.1861,4.3764,-3.82; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Br F O C H 3.0600 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 3018 GEPOL Volume 3235.9250 GEPOL Surface-area 1704.3883 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.6s -3928.09927304 3662.79571325 -7590.89498629 -12723.85428112 5132.95929483 -0.02758960 -7846.89376707 3918.79449403 2.00237440 122.000218930056 122.000218930056 244.000437860112 -198.386809205692 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 -13141.5870 -1704.1353 -1535.4699 -1535.3901 -1535.3874 -675.8110 -675.7616 -525.4951 -524.6176 -523.5114 -287.4329 -281.8428 -281.5486 -281.5312 -280.8386 -280.6393 -280.0506 -279.9664 -279.9592 -279.9329 -279.8514 -279.8078 -279.7938 -279.7894 -279.7846 -279.7716 -279.7558 -279.7068 -279.6917 -279.6759 -279.6216 -279.5852 -279.1095 -279.0387 -240.1650 -181.0108 -180.6972 -180.6959 -75.2061 -75.1203 -75.1189 -74.8598 -74.8597 -39.1353 -37.0996 -33.8286 -32.9052 -31.5321 -27.0857 -26.9248 -26.5327 -25.7492 -25.3241 -24.4012 -23.9880 -23.8615 -23.7561 -23.6359 -23.0472 -22.2175 -22.0114 -21.7227 -20.7888 -20.5354 -20.3769 -20.0174 -19.7601 -19.2643 -19.1431 -18.7087 -18.6990 -18.3643 -18.0664 -17.7634 -16.8016 -16.6154 -16.3424 -16.1190 -16.0800 -15.9935 -15.7854 -15.7232 -15.5222 -15.4222 -15.2257 -15.0529 -14.9879 -14.7706 -14.7498 -14.4663 -14.2867 -14.2770 -14.1357 -14.0230 -13.7038 -13.6523 -13.6042 -13.3221 -13.0833 -13.0726 -12.8532 -12.7218 -12.5319 -12.4980 -12.3569 -12.2502 -12.1808 -11.9001 -11.6428 -11.5900 -11.5378 -11.4090 -11.0029 -10.9563 -10.9221 -9.8472 -9.5243 -9.4741 -9.3402 -9.2587 -8.8231 -8.3594 1.1585 1.2926 1.5304 1.5955 1.7761 2.0152 2.1900 3.3133 3.7359 3.8854 3.9563 4.0227 4.2882 4.3685 4.4756 4.5709 4.7005 4.8453 4.9787 5.0545 5.1083 5.2126 5.3090 5.4535 5.5284 5.7139 5.7489 5.8345 5.9839 6.0123 6.0587 6.1254 6.3064 6.3202 6.3762 6.5717 6.6575 6.7726 6.8090 6.9676 7.0359 7.1763 7.3043 7.3700 7.5188 7.5838 7.7528 7.8450 7.8761 7.9210 8.0770 8.1734 8.2609 8.2792 8.3641 8.4038 8.5433 8.6286 8.6974 8.7721 8.8023 8.9263 9.1318 9.1628 9.4189 9.4380 9.4874 9.6028 9.6236 9.7282 9.7610 9.9540 10.0643 10.1206 10.2531 10.3198 10.3892 10.4327 10.6422 10.7639 10.8143 10.9692 11.1282 11.1564 11.2784 11.3210 11.4423 11.5800 11.6411 11.6799 11.7247 11.8919 11.9778 12.0255 12.2024 12.3083 12.4682 12.5060 12.5278 12.6295 12.7204 12.7812 12.8855 13.0407 13.1008 13.2131 13.2571 13.3549 13.5695 13.6031 13.6873 13.7448 13.7904 13.8927 13.9359 14.0026 14.0947 14.1921 14.3231 14.4153 14.4938 14.5199 14.6768 14.7024 14.7953 14.9028 14.9624 15.0501 15.1704 15.2461 15.3650 15.4311 15.5508 15.6026 15.6543 15.6887 15.8646 15.9094 16.0515 16.0625 16.1812 16.2909 16.3263 16.5534 16.6789 16.7542 16.7878 17.0571 17.0850 17.1293 17.3738 17.4351 17.5522 17.7571 17.8821 17.9585 18.1674 18.3013 18.4147 18.6914 18.7329 18.8784 18.9317 19.1184 19.1631 19.4601 19.5841 19.7646 19.9082 19.9535 20.0734 20.2181 20.2534 20.4166 20.5130 20.6658 20.7191 20.7767 20.9739 21.1507 21.1757 21.3253 21.4828 21.5578 21.5888 21.7138 21.8742 22.0144 22.0926 22.2082 22.2570 22.3644 22.6197 22.6480 22.8749 22.9397 23.0141 23.1823 23.2523 23.4015 23.5418 23.7023 23.8025 23.9128 24.0609 24.0911 24.2344 24.3167 24.5347 24.6316 24.7241 24.9692 25.0993 25.1712 25.2665 25.4084 25.4923 25.6759 25.7515 25.7951 25.9986 26.0016 26.2208 26.2651 26.4472 26.4862 26.6009 26.6730 26.7653 27.0219 27.1063 27.1638 27.3484 27.3948 27.5882 27.6624 27.8247 27.9466 28.2732 28.4359 28.5577 28.6055 28.8363 28.8924 28.9632 29.2128 29.2395 29.4656 29.5755 29.7723 29.8052 29.8895 30.0378 30.0987 30.2332 30.3111 30.4856 30.6049 30.7024 30.7718 30.8608 31.2158 31.2773 31.3154 31.5179 31.5468 31.7468 31.8485 31.9948 32.0870 32.1761 32.2260 32.4046 32.4986 32.5628 32.7681 32.9061 33.0021 33.0541 33.2576 33.3054 33.4895 33.7211 33.7711 33.8752 33.9762 34.3006 34.4399 34.6158 34.7253 34.8437 34.9204 35.0218 35.1783 35.3538 35.5021 35.5264 35.6401 35.7679 35.9547 36.1611 36.2575 36.4039 36.5566 36.6258 36.7669 36.9184 37.0240 37.1878 37.3615 37.4780 37.5267 37.6188 37.8191 37.9450 38.0363 38.2869 38.3306 38.3708 38.4003 38.6274 38.7406 38.9577 39.0639 39.0796 39.1875 39.3195 39.3392 39.4782 39.5136 39.6544 39.9185 39.9539 40.0203 40.0857 40.1549 40.2815 40.4652 40.5192 40.6658 40.9450 41.0198 41.1617 41.2018 41.2631 41.4349 41.5707 41.7620 41.8241 41.9537 42.0150 42.1685 42.3092 42.4533 42.4830 42.6044 42.7572 42.9030 43.0933 43.1904 43.3779 43.5392 43.6691 43.7904 43.8642 44.0533 44.1188 44.2267 44.2945 44.3882 44.4496 44.6133 44.7129 44.8258 44.9330 44.9822 45.1118 45.3010 45.4327 45.5784 45.6963 45.7135 45.9197 46.0172 46.2400 46.2884 46.4071 46.5543 46.6565 46.7725 46.8600 47.0424 47.1190 47.2036 47.3346 47.5623 47.7085 47.8695 47.9828 48.0360 48.1167 48.3201 48.3784 48.5480 48.6036 48.9033 49.0123 49.0218 49.0510 49.3423 49.4291 49.6353 49.7782 50.0219 50.0478 50.1324 50.3989 50.6509 50.8583 51.0265 51.1402 51.1908 51.4678 51.6137 51.6940 51.9171 52.0614 52.2179 52.5449 52.7366 52.9165 52.9981 53.1201 53.3731 53.5895 53.7288 53.7831 54.3914 54.4299 54.6186 54.9526 55.1511 55.4708 55.5428 55.8215 55.8424 55.9657 56.3076 56.4009 56.4420 56.7111 56.9264 57.1239 57.2791 57.4533 57.5757 57.6806 57.9867 58.0721 58.2181 58.6382 58.8476 58.9106 59.0103 59.3444 59.4647 59.8184 60.0310 60.2354 60.4745 60.6460 60.7459 61.0454 61.2784 61.5538 61.7992 61.8707 62.0336 62.5091 62.7654 62.9097 63.0448 63.4448 63.8788 63.9096 64.2118 64.2832 64.4257 64.4447 64.6513 64.8739 65.0333 65.1746 65.4755 65.5890 65.8185 65.8967 66.0873 66.1834 66.3219 66.4369 66.5366 66.8580 67.0471 67.1253 67.5469 67.6392 67.8869 68.0033 68.0714 68.3569 68.6827 68.7526 68.8772 69.1660 69.2812 69.4146 69.7711 69.8945 69.9788 70.2246 70.8819 71.0536 71.6350 71.8828 72.1858 72.3293 72.5882 72.8214 73.4345 73.5372 73.7116 73.8735 74.0022 74.3231 74.8191 74.8751 74.8955 75.1027 75.3158 75.4670 75.7133 75.8258 76.1138 76.2960 76.4687 76.5900 76.7146 76.7992 76.8791 77.0440 77.1588 77.3271 77.4529 77.7315 77.8522 77.9794 78.0598 78.1786 78.2676 78.4216 78.4548 78.6164 78.7721 79.0350 79.1094 79.2911 79.4129 79.4965 79.6546 79.6824 79.8367 79.9133 80.0446 80.2404 80.2950 80.4364 80.7322 80.8914 80.9834 81.2598 81.2992 81.7257 81.8125 81.8990 82.0676 82.2636 82.3989 82.4470 82.6443 82.6959 82.9690 83.0999 83.3481 83.4034 83.4945 83.6217 83.7559 83.8757 84.0385 84.0982 84.3508 84.4052 84.5094 84.6500 84.8154 85.0509 85.0802 85.2667 85.4265 85.4876 85.5203 85.6670 85.7369 85.8038 85.8387 85.9677 86.0760 86.1570 86.2833 86.3793 86.4681 86.6703 86.8100 86.8178 86.9152 87.0568 87.1183 87.2947 87.4448 87.5674 87.5828 87.7969 87.9211 88.0866 88.1357 88.2427 88.3267 88.4333 88.4761 88.6794 88.8325 88.9226 89.0272 89.1729 89.2119 89.4053 89.5035 89.5790 89.6747 89.7409 89.7734 89.8915 90.0651 90.1315 90.1953 90.4670 90.5636 90.6508 90.8362 90.9384 91.2168 91.2875 91.3673 91.4333 91.7656 91.8115 91.8560 92.1426 92.2201 92.3042 92.4548 92.5816 92.6785 92.8796 92.8868 93.0229 93.0593 93.1515 93.3290 93.4814 93.6109 93.7068 93.7798 93.8064 93.9527 94.0080 94.2272 94.3432 94.4602 94.5456 94.6369 94.6718 94.7773 95.0803 95.2192 95.3381 95.5616 95.6199 95.6949 95.7423 95.9181 96.0240 96.1342 96.2142 96.3769 96.4160 96.6371 96.7424 96.8496 97.0379 97.1549 97.2243 97.2749 97.3508 97.4696 97.6494 97.7397 97.9496 98.0253 98.1046 98.1658 98.2923 98.3812 98.6234 98.7121 98.9486 99.0046 99.0664 99.2333 99.3463 99.4971 99.6753 99.7991 99.8801 99.9342 100.1700 100.3883 100.5019 100.6862 100.8413 101.0309 101.1911 101.4792 101.7048 101.8535 101.9760 102.1417 102.3623 102.5541 102.6217 102.7031 103.0039 103.1322 103.3948 103.4785 103.4872 103.7372 103.9313 104.0179 104.2378 104.4725 104.4900 104.7569 104.9175 105.0405 105.1590 105.2224 105.5144 105.5508 105.6188 105.7269 105.7399 105.8633 105.8845 106.0488 106.1360 106.2076 106.2945 106.3984 106.6044 106.7178 106.9464 107.0848 107.1703 107.3327 107.4040 107.5212 107.6273 107.7592 107.8064 107.9664 108.1973 108.2596 108.3407 108.4655 108.5619 108.8854 108.9658 109.1488 109.3254 109.4834 109.6127 109.7504 110.0750 110.1451 110.2525 110.4616 110.5837 110.8230 111.0112 111.2104 111.3248 111.4682 111.6823 111.8755 111.9392 112.1310 112.1890 112.3849 112.5693 112.7585 112.9375 113.2198 113.2651 113.4244 113.5335 113.7601 113.9261 113.9698 114.1226 114.3818 114.5719 114.8095 114.8440 114.9139 115.1496 115.2105 115.5325 115.6389 115.6477 116.0074 116.0853 116.2203 116.4089 116.5957 116.7193 116.8688 116.8944 117.0954 117.1475 117.2817 117.3156 117.6160 117.6980 117.8149 117.9230 118.0693 118.2354 118.2819 118.4406 118.5063 118.5219 118.7343 118.7953 118.8683 118.9705 119.0212 119.1474 119.3628 119.4201 119.5113 119.6598 119.7002 119.7746 119.9846 120.0765 120.2004 120.3931 120.5860 120.6461 120.7097 120.8586 121.0252 121.3449 121.4144 121.7130 121.7621 122.1003 122.1253 122.2648 122.4938 122.5729 122.6698 122.8953 122.9993 123.3330 123.4254 124.0643 124.1451 124.3669 124.7533 124.8947 125.2285 125.4222 125.5682 126.1058 126.4178 126.5338 126.6122 126.8756 127.1210 127.2788 127.4179 127.7949 128.2085 128.4106 128.6640 128.7228 129.1194 129.2818 129.3782 129.5460 129.7315 129.8800 130.0791 130.2444 130.4696 130.6637 130.7401 130.9359 131.0980 131.3376 131.5002 131.7227 131.8415 131.9725 132.1393 132.3079 132.3649 132.5580 132.7190 132.7691 132.9422 133.1263 133.2508 133.5085 133.5413 133.6766 134.0880 134.3940 134.5407 134.7480 134.9931 135.3532 135.4889 135.8162 135.9453 136.1650 136.2566 136.4293 136.7926 137.2927 137.5229 137.7074 137.8416 138.1001 138.3345 138.4050 138.6713 138.8077 139.1830 139.2488 139.4481 139.6624 140.0287 140.4095 140.6663 140.8006 141.1235 141.5054 141.6809 141.9534 142.6280 143.0579 143.8638 144.1848 144.2929 144.5354 144.6223 144.7669 144.9669 145.1679 145.4885 145.7152 145.9731 146.2409 146.6357 146.7772 147.0252 147.1567 147.2587 147.7972 147.9455 148.0166 148.2559 148.4346 148.5328 148.6308 148.8315 149.0848 149.4658 149.5920 149.6907 149.9121 150.3121 150.4516 150.7013 150.9640 151.3603 151.5464 151.9240 152.3705 152.5071 152.8343 152.9794 153.3527 153.9315 154.1838 154.4447 154.6414 154.9285 155.4230 155.7067 156.0907 156.4829 156.6166 156.6708 157.2055 157.4575 157.5839 158.1021 158.5343 158.6889 159.2589 159.4846 159.9156 160.0096 160.2750 160.5535 160.6957 161.3616 162.0994 162.4384 162.5469 163.2328 163.4223 164.8217 165.5282 166.0052 167.1934 167.3088 168.8060 169.9498 170.8978 171.9839 172.7588 173.0003 174.4300 175.3477 175.7007 177.6780 177.8406 178.0006 181.2735 183.8890 185.9321 186.1743 187.4130 188.1702 188.3299 188.3895 188.4782 188.6030 188.7225 189.3053 189.9815 190.1897 190.5294 190.9967 192.2208 192.3350 194.5795 195.3930 196.3726 197.1625 197.9791 200.2747 201.3709 203.0502 203.5563 204.0378 205.3784 206.7486 206.8897 208.0349 208.4943 209.7875 228.3171 230.1167 232.2118 232.8317 239.8154 241.9725 244.9459 245.4669 247.4466 248.2362 619.0425 622.2061 625.4965 626.1706 629.1049 631.7785 632.4146 633.8146 634.4522 634.6403 635.3399 635.5097 636.7336 636.9015 637.0567 637.5082 639.3096 641.3603 643.0163 648.5080 651.3451 657.5124 657.7629 658.2643 1210.9351 1212.5269 1217.7198 1558.0243 1560.0697 -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 -0.081729 -0.157344 -0.150965 -0.399356 -0.255801 -0.337627 0.407768 -0.085636 -0.064133 -0.368367 -0.340233 -0.291170 -0.159820 0.071752 -0.132311 -0.236201 0.268160 0.052930 -0.279885 -0.225899 0.357758 -0.098883 -0.300176 0.430320 0.336865 -0.291513 -0.217907 -0.115296 -0.143770 -0.195619 0.110195 0.106852 0.112524 0.105169 0.094136 0.108131 0.104513 0.103242 0.142735 0.144095 0.109776 0.102518 0.142790 0.147361 0.137738 0.142973 0.158848 0.140858 0.148176 0.156946 0.161867 0.161835 0.160806 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 35.0817 9.1573 9.1510 8.3994 8.2558 8.3376 5.5922 6.0856 6.0641 6.3684 6.3402 6.2912 6.1598 5.9282 6.1323 6.2362 5.7318 5.9471 6.2799 6.2259 5.6422 6.0989 6.3002 5.5697 5.6631 6.2915 6.2179 6.1153 6.1438 6.1956 0.8898 0.8931 0.8875 0.8948 0.9059 0.8919 0.8955 0.8968 0.8573 0.8559 0.8902 0.8975 0.8572 0.8526 0.8623 0.8570 0.8412 0.8591 0.8518 0.8431 0.8381 0.8382 0.8392 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 -0.0817 -0.1573 -0.1510 -0.3994 -0.2558 -0.3376 0.4078 -0.0856 -0.0641 -0.3684 -0.3402 -0.2912 -0.1598 0.0718 -0.1323 -0.2362 0.2682 0.0529 -0.2799 -0.2259 0.3578 -0.0989 -0.3002 0.4303 0.3369 -0.2915 -0.2179 -0.1153 -0.1438 -0.1956 0.1102 0.1069 0.1125 0.1052 0.0941 0.1081 0.1045 0.1032 0.1427 0.1441 0.1098 0.1025 0.1428 0.1474 0.1377 0.1430 0.1588 0.1409 0.1482 0.1569 0.1619 0.1618 0.1608 1.1757 1.1315 1.1437 1.9066 2.1267 2.0355 3.5275 3.9733 3.6264 3.9208 3.9193 4.1241 3.9382 3.8895 3.9128 4.0152 3.5905 3.5799 3.9286 3.9012 3.5263 3.8621 3.9860 4.5612 3.6474 3.9667 3.9358 3.8893 3.8855 3.9140 1.0043 0.9854 0.9993 1.0050 1.0126 1.0020 1.0039 1.0015 1.0059 0.9975 0.9916 0.9945 1.0184 1.0044 1.0173 1.0041 0.9875 1.0164 1.0224 0.9980 0.9893 0.9891 0.9895 1.1757 1.1315 1.1437 1.9066 2.1267 2.0355 3.5275 3.9733 3.6264 3.9208 3.9193 4.1241 3.9382 3.8895 3.9128 4.0152 3.5905 3.5799 3.9286 3.9012 3.5263 3.8621 3.9860 4.5612 3.6474 3.9667 3.9358 3.8893 3.8855 3.9140 1.0043 0.9854 0.9993 1.0050 1.0126 1.0020 1.0039 1.0015 1.0059 0.9975 0.9916 0.9945 1.0184 1.0044 1.0173 1.0041 0.9875 1.0164 1.0224 0.9980 0.9893 0.9891 0.9895 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.0674 1.0947 1.1475 0.9378 0.9481 0.8861 1.1779 0.9037 0.9632 0.9098 0.8827 0.9001 0.9168 0.9906 0.9988 1.3534 1.3233 1.0020 0.9919 0.9913 0.9936 0.9863 0.9828 1.5262 0.1041 0.9959 1.4813 0.9873 0.9107 0.9874 1.0194 1.2863 0.9675 1.3651 1.0064 1.3595 1.3584 1.3524 0.9758 1.4024 1.0049 1.3229 1.4396 0.9875 1.0044 1.3532 1.3500 1.4355 0.9770 1.4268 0.9791 1.4071 0.9775 1.4125 0.9781 0.9839 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 15 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 -0.034986849 -3928.134259889170 -61.16822 59.22676 -1.94146 54.52015 -53.98661 0.53354 -31.62117 31.53168 -0.08950 2.01543 5.12281