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:2.3947,-1.3985,1.2511;3.7814,-1.9062,-.993;2.6298,-3.5754,-.2956;-3.3262,.1299,1.3614;1.6789,-1.8916,-1.3926;.3002,2.6012,-1.298;-3.9107,-1.4692,-.3415;-4.13,-.0605,.2168;-2.4272,-1.6561,-.6364;-4.7185,-1.5823,-1.6387;-4.4472,-2.5008,.6504;-1.6685,-2.6602,-.0466;-1.7696,-.788,-1.5116;-3.3126,1.4601,1.8282;-.3046,-2.7899,-.2813;-.4088,-.882,-1.7426;.3199,-1.8751,-1.1084;-2.6608,2.4114,.856;-1.4287,2.0902,.2932;-3.299,3.5872,.4781;-.8614,2.9378,-.6455;-2.7124,4.4382,-.4484;-1.4891,4.1182,-1.0173;2.5992,-2.2478,-.4914;1.4522,2.3654,-.5973;1.6698,2.8332,.6921;2.4477,1.6689,-1.2738;2.897,2.5965,1.2986;3.6701,1.4539,-.6585;3.902,1.9139,.631;-3.8921,.6815,-.555;-5.1923,.0712,.4669;-4.4038,-.8533,-2.3863;-4.61,-2.5759,-2.0752;-5.7805,-1.4192,-1.4446;-4.3613,-3.5156,.2591;-5.5062,-2.3129,.8337;-3.9375,-2.472,1.6138;-2.1264,-3.3747,.6228;-2.3159,.0018,-2.0118;-4.3275,1.81,2.0559;-2.7587,1.445,2.7697;.2267,-3.603,.192;.0846,-.182,-2.4044;-.9221,1.1736,.5711;-4.2665,3.8308,.8998;-3.2151,5.3508,-.7402;-1.0321,4.7677,-1.7528;.9062,3.385,1.2247;2.2658,1.3112,-2.2797;3.0639,2.9616,2.3038;4.4441,.9182,-1.1916;4.8535,1.7337,1.1124; 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 3695.2569600066 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 5.181e-06 Time for diagonalization 0.405 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.365 sec Total time needed 0.779 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:2.3947,-1.3985,1.2511;3.7814,-1.9061,-.993;2.6298,-3.5754,-.2956;-3.3262,.1299,1.3614;1.6789,-1.8916,-1.3926;.3002,2.6012,-1.298;-3.9107,-1.4692,-.3415;-4.13,-.0605,.2168;-2.4272,-1.6561,-.6364;-4.7185,-1.5823,-1.6387;-4.4472,-2.5008,.6504;-1.6685,-2.6602,-.0466;-1.7696,-.788,-1.5116;-3.3126,1.4601,1.8282;-.3046,-2.7899,-.2813;-.4088,-.882,-1.7426;.3199,-1.8751,-1.1084;-2.6608,2.4114,.856;-1.4287,2.0902,.2932;-3.299,3.5872,.4781;-.8614,2.9378,-.6455;-2.7124,4.4382,-.4484;-1.4891,4.1182,-1.0173;2.5992,-2.2478,-.4914;1.4522,2.3654,-.5973;1.6698,2.8332,.6921;2.4477,1.6689,-1.2738;2.897,2.5965,1.2986;3.6701,1.4539,-.6585;3.902,1.9139,.631;-3.8921,.6815,-.555;-5.1923,.0712,.4669;-4.4038,-.8533,-2.3863;-4.61,-2.5759,-2.0752;-5.7805,-1.4192,-1.4446;-4.3613,-3.5156,.2591;-5.5062,-2.3129,.8337;-3.9375,-2.472,1.6138;-2.1264,-3.3747,.6228;-2.3159,.0018,-2.0118;-4.3275,1.81,2.0559;-2.7587,1.445,2.7697;.2267,-3.603,.192;.0846,-.182,-2.4044;-.9221,1.1736,.5711;-4.2665,3.8308,.8998;-3.2151,5.3508,-.7402;-1.0321,4.7677,-1.7528;.9062,3.385,1.2247;2.2658,1.3112,-2.2797;3.0639,2.9616,2.3038;4.4441,.9182,-1.1916;4.8535,1.7337,1.1124; 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:2.3947,-1.3985,1.2511;3.7814,-1.9062,-.993;2.6298,-3.5754,-.2956;-3.3262,.1299,1.3614;1.6789,-1.8916,-1.3926;.3002,2.6012,-1.298;-3.9107,-1.4692,-.3415;-4.13,-.0605,.2168;-2.4272,-1.6561,-.6364;-4.7185,-1.5823,-1.6387;-4.4472,-2.5008,.6504;-1.6685,-2.6602,-.0466;-1.7696,-.788,-1.5116;-3.3126,1.4601,1.8282;-.3046,-2.7899,-.2813;-.4088,-.882,-1.7426;.3199,-1.8751,-1.1084;-2.6608,2.4114,.856;-1.4287,2.0902,.2932;-3.299,3.5872,.4781;-.8614,2.9378,-.6455;-2.7124,4.4382,-.4484;-1.4891,4.1182,-1.0173;2.5992,-2.2478,-.4914;1.4522,2.3654,-.5973;1.6698,2.8332,.6921;2.4477,1.6689,-1.2738;2.897,2.5965,1.2986;3.6701,1.4539,-.6585;3.902,1.9139,.631;-3.8921,.6815,-.555;-5.1923,.0712,.4669;-4.4038,-.8533,-2.3863;-4.61,-2.5759,-2.0752;-5.7805,-1.4192,-1.4446;-4.3613,-3.5156,.2591;-5.5062,-2.3129,.8337;-3.9375,-2.472,1.6138;-2.1264,-3.3747,.6228;-2.3159,.0018,-2.0118;-4.3275,1.81,2.0559;-2.7587,1.445,2.7697;.2267,-3.603,.192;.0846,-.182,-2.4044;-.9221,1.1736,.5711;-4.2665,3.8308,.8998;-3.2151,5.3508,-.7402;-1.0321,4.7677,-1.7528;.9062,3.385,1.2247;2.2658,1.3112,-2.2797;3.0639,2.9616,2.3038;4.4441,.9182,-1.1916;4.8535,1.7337,1.1124; 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 2949 GEPOL Volume 3170.9953 GEPOL Surface-area 1593.5030 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.6s -3928.09891373 3695.25696001 -7623.35587374 -12788.42064410 5165.06477036 -0.02566042 -7846.87379374 3918.77488001 2.00237932 121.999913603437 121.999913603437 243.999827206873 -198.385064140788 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 -13141.4933 -1704.0377 -1535.3739 -1535.2929 -1535.2901 -675.7189 -675.6121 -525.3835 -524.5611 -523.5807 -287.3042 -281.7600 -281.5192 -281.4745 -280.8647 -280.6304 -280.0749 -280.0104 -279.9604 -279.9189 -279.8573 -279.8103 -279.7795 -279.7644 -279.7330 -279.7314 -279.7255 -279.7008 -279.6585 -279.6448 -279.6117 -279.4826 -279.1237 -279.0399 -240.0640 -180.9146 -180.5940 -180.5914 -75.1102 -75.0214 -75.0187 -74.7544 -74.7543 -38.9932 -36.9521 -33.6609 -32.8403 -31.6160 -27.0549 -26.9101 -26.4806 -25.7067 -25.2807 -24.3528 -23.9459 -23.8581 -23.7294 -23.5556 -22.9989 -22.2615 -21.9317 -21.7265 -20.7617 -20.4108 -20.3608 -19.9687 -19.6422 -19.2298 -19.1378 -18.7030 -18.6457 -18.2416 -18.0564 -17.7484 -16.7996 -16.5176 -16.3614 -16.1031 -16.0210 -15.8740 -15.7619 -15.7168 -15.5250 -15.4244 -15.2294 -15.0232 -14.9045 -14.7475 -14.6440 -14.4910 -14.2819 -14.1757 -14.0881 -13.8837 -13.7132 -13.6624 -13.5380 -13.4177 -13.1210 -13.0398 -12.7571 -12.6814 -12.5930 -12.4737 -12.3417 -12.2541 -12.0868 -11.9020 -11.6564 -11.5454 -11.5346 -11.3650 -10.9411 -10.9123 -10.7628 -9.8504 -9.5747 -9.3765 -9.2957 -9.1658 -8.8860 -8.4058 1.1692 1.3939 1.4801 1.6381 1.8604 2.0985 2.1813 3.2718 3.6092 3.7814 3.9918 4.1037 4.2198 4.2459 4.4297 4.7106 4.7555 4.8160 4.9939 5.0108 5.1337 5.2777 5.3950 5.4563 5.5006 5.6252 5.6786 5.7981 5.9627 6.0963 6.1124 6.1916 6.2642 6.3622 6.4954 6.6239 6.7362 6.7610 6.8376 6.9446 7.0279 7.1495 7.2429 7.3593 7.4732 7.5565 7.5794 7.7668 7.8776 8.0296 8.0314 8.0657 8.2022 8.2904 8.3600 8.4056 8.6039 8.6670 8.7418 8.8253 8.9144 8.9648 9.1272 9.2621 9.3549 9.4380 9.5700 9.5831 9.6695 9.7864 9.9050 9.9610 10.0032 10.1578 10.1819 10.3837 10.4620 10.5632 10.7304 10.9030 10.9330 11.0577 11.1334 11.3010 11.3733 11.4121 11.4837 11.6087 11.6521 11.8625 11.9240 11.9661 12.0347 12.1958 12.2558 12.3426 12.4837 12.5268 12.7048 12.7584 12.8427 12.8884 12.9720 13.0150 13.0922 13.2667 13.3043 13.3526 13.3798 13.5921 13.6726 13.7983 13.8282 13.9746 14.0102 14.0518 14.1965 14.2531 14.2817 14.4217 14.4381 14.5527 14.6953 14.7792 14.8068 14.9111 14.9564 15.0175 15.1019 15.1635 15.2621 15.3355 15.4719 15.5286 15.5895 15.7438 15.8835 15.9407 16.0034 16.0936 16.2542 16.2831 16.4612 16.5263 16.6438 16.7162 16.8014 16.8678 16.9217 17.0915 17.3238 17.4948 17.5888 17.6533 17.8131 17.9463 18.0316 18.2151 18.3357 18.3679 18.5726 18.7204 18.9182 19.0608 19.1614 19.3719 19.4379 19.5084 19.8760 19.8874 19.9625 20.1099 20.1454 20.2873 20.4888 20.6032 20.7221 20.8283 20.8982 21.0406 21.0939 21.1947 21.3617 21.4219 21.5459 21.6651 21.7028 21.9085 21.9768 22.0624 22.1831 22.2405 22.3051 22.5651 22.7391 22.7983 22.8440 23.0098 23.0776 23.1259 23.2782 23.4070 23.6609 23.7946 23.8548 23.9784 24.1408 24.2993 24.4708 24.6090 24.7018 24.7536 24.8400 24.9702 25.0806 25.1477 25.3339 25.5412 25.7038 25.7964 25.9041 25.9328 26.1275 26.1781 26.3416 26.4303 26.5464 26.6339 26.8663 26.9719 27.1050 27.1374 27.2164 27.3423 27.5760 27.6209 27.8725 27.9581 28.0607 28.2110 28.3389 28.5228 28.5512 28.6177 28.7758 28.9235 29.1321 29.1974 29.3245 29.5708 29.7326 29.7985 29.8482 29.8878 30.1390 30.2427 30.3729 30.5056 30.5988 30.7336 30.8794 30.9409 31.0214 31.1142 31.1637 31.4206 31.5683 31.6077 31.6836 31.7588 32.0797 32.1461 32.3321 32.4679 32.6022 32.7663 32.7916 32.8599 32.9060 33.0937 33.1894 33.3404 33.5642 33.6953 33.8268 33.9446 34.1106 34.1957 34.3451 34.4786 34.5273 34.8435 34.8539 34.9289 35.0246 35.3719 35.4957 35.6026 35.7561 36.0063 36.0200 36.0550 36.1350 36.4797 36.5719 36.6039 36.7677 36.8111 36.9383 36.9510 37.2334 37.4579 37.5565 37.6867 37.8502 37.9291 38.0073 38.0528 38.1341 38.3999 38.4884 38.5371 38.6771 38.7613 38.9434 39.0002 39.0787 39.2961 39.4200 39.5565 39.6514 39.8370 39.8427 39.9001 39.9432 40.0155 40.2899 40.4058 40.5039 40.6701 40.8357 40.9842 41.0479 41.1419 41.1983 41.3063 41.4371 41.6114 41.7723 41.9550 42.0020 42.1395 42.2599 42.3606 42.6351 42.7036 42.8565 42.9498 43.0772 43.1753 43.2984 43.4401 43.6075 43.7157 43.8884 43.9700 44.0290 44.0462 44.3077 44.3861 44.5787 44.6135 44.7882 44.7962 44.8464 44.9560 45.2225 45.2372 45.3105 45.4987 45.5799 45.8048 45.8587 46.0978 46.1437 46.2587 46.4530 46.6300 46.7189 46.8459 47.0599 47.1582 47.1740 47.2845 47.4267 47.6073 47.7377 47.8281 47.9070 48.1221 48.2163 48.3324 48.5097 48.6114 48.6952 48.7978 48.9320 49.1298 49.2107 49.4529 49.5442 49.6361 49.9393 50.1201 50.1682 50.2329 50.3385 50.5015 50.7402 51.0222 51.1353 51.2351 51.5083 51.5506 51.7498 51.8733 51.9919 52.2758 52.3291 52.4823 52.7603 52.9656 52.9944 53.2335 53.4575 53.7454 53.8377 54.0320 54.1479 54.4791 54.5675 54.9766 55.0995 55.2300 55.4762 55.7726 55.9437 56.1237 56.2858 56.4894 56.7550 56.8362 57.0917 57.1863 57.4102 57.5284 57.7458 57.8416 57.9438 58.2256 58.3047 58.4871 58.6484 59.0097 59.1247 59.2444 59.5710 59.6362 59.9033 60.1971 60.3124 60.4009 60.6250 60.9153 61.2710 61.4104 61.6167 61.7164 62.0919 62.2397 62.4404 62.8269 62.8416 63.2866 63.4710 63.6520 63.7968 64.2203 64.3129 64.5200 64.6872 64.9058 65.0604 65.4005 65.5452 65.6493 65.8024 65.9843 66.1937 66.2982 66.5196 66.6409 66.8047 66.9494 67.0675 67.2719 67.6575 67.7406 67.8418 68.0634 68.2760 68.3860 68.5305 68.6628 68.9701 69.0516 69.5267 69.7081 69.9740 70.1415 70.4758 70.9295 71.1919 71.3648 72.0269 72.1838 72.2872 72.3456 72.7229 73.0804 73.3284 73.4066 73.6266 73.9004 74.1811 74.2876 74.7813 74.9414 75.0906 75.3342 75.3683 75.5627 75.8013 76.0366 76.2018 76.3618 76.4721 76.6473 76.8071 76.8485 76.9491 77.1469 77.3475 77.6518 77.7585 77.8823 78.0210 78.0877 78.2387 78.2761 78.4306 78.5490 78.6179 78.7610 78.8314 78.9824 79.1862 79.4007 79.5254 79.5618 79.6723 79.7882 80.0248 80.0505 80.1559 80.3195 80.4444 80.5529 80.9551 81.0987 81.2513 81.2814 81.4277 81.5917 81.7555 81.9025 82.1122 82.1337 82.2819 82.4388 82.5268 82.5728 82.7755 82.9327 83.0392 83.2136 83.2758 83.4462 83.7858 83.8398 84.0445 84.2558 84.4016 84.5094 84.6865 84.8063 84.8360 84.9634 85.0377 85.2032 85.3613 85.4409 85.5057 85.7080 85.7799 85.8047 85.8683 85.9893 86.1327 86.2290 86.2741 86.2954 86.4010 86.4985 86.6431 86.8611 86.9071 86.9174 87.0829 87.2212 87.3584 87.4459 87.5030 87.5802 87.7114 87.8433 88.0444 88.1014 88.2057 88.4142 88.5567 88.5724 88.6958 88.8347 89.0387 89.2142 89.2960 89.4091 89.4690 89.5445 89.7013 89.8155 89.8632 90.1023 90.2668 90.3478 90.4308 90.4955 90.6668 90.7365 90.8841 90.9155 91.0442 91.2374 91.3334 91.5105 91.6604 91.8316 91.9713 92.0142 92.1732 92.3710 92.5744 92.7088 92.7857 92.8758 92.9547 93.0279 93.1523 93.2313 93.3632 93.4379 93.5462 93.5660 93.7000 93.7883 93.9480 94.0029 94.1498 94.2444 94.3463 94.4101 94.5592 94.7320 94.8874 94.9189 95.0497 95.0700 95.2118 95.3729 95.4767 95.6523 95.7210 95.7665 95.8419 96.1564 96.3337 96.4028 96.4681 96.6471 96.7647 96.9796 97.0410 97.1454 97.3282 97.4598 97.5484 97.5992 97.7512 97.9280 97.9426 98.0268 98.2743 98.3980 98.6086 98.6429 98.7501 98.9598 99.0985 99.1125 99.3747 99.6189 99.6833 99.7335 99.9287 100.1796 100.2599 100.5201 100.6059 100.7300 100.9528 101.0485 101.2223 101.3775 101.4367 101.7309 101.8893 101.9805 102.1813 102.3868 102.5029 102.6193 102.6776 103.0022 103.2083 103.2608 103.3235 103.5245 103.6334 103.8002 104.1592 104.4139 104.5090 104.5919 104.8476 104.8972 105.0927 105.2319 105.3661 105.4434 105.6225 105.7302 105.7793 105.8273 106.0069 106.0234 106.1651 106.2861 106.3727 106.5023 106.6019 106.6556 106.7066 106.8350 106.9194 107.0267 107.1388 107.3603 107.4817 107.7046 107.7346 107.9173 107.9933 108.1737 108.2802 108.4839 108.6524 108.7884 109.0613 109.1008 109.3057 109.4093 109.5484 109.8204 110.0208 110.0769 110.1548 110.2739 110.5113 110.5723 110.8451 110.9635 110.9949 111.1788 111.3364 111.5665 111.7474 111.8349 112.1430 112.3527 112.5735 112.6701 112.8288 113.0830 113.2602 113.4987 113.6854 113.9934 114.1604 114.2632 114.4940 114.7130 114.8313 114.9818 115.0399 115.1813 115.3163 115.5269 115.6892 115.7974 115.8441 115.9914 116.0442 116.1902 116.4577 116.5634 116.7057 116.7508 116.7846 117.1031 117.2158 117.3288 117.3871 117.5306 117.8160 117.8867 117.9887 118.0349 118.1801 118.2810 118.4511 118.5182 118.5734 118.7659 118.7869 118.9431 118.9553 119.0772 119.2401 119.2812 119.4924 119.5612 119.6152 119.7685 119.8204 119.9650 120.0984 120.2979 120.4702 120.5930 120.6727 120.8551 120.9667 121.1562 121.2650 121.4504 121.5369 121.7751 121.8844 121.9544 122.0756 122.2853 122.3372 122.6309 122.8237 122.9928 123.0979 123.2866 123.5572 123.9059 124.1041 124.2606 124.5429 125.0084 125.2558 125.4689 125.9146 126.0517 126.1383 126.2937 126.7177 126.8834 127.1321 127.4376 127.9890 128.0670 128.4291 128.8254 128.9243 129.1279 129.3012 129.3585 129.5681 129.9872 130.0515 130.1239 130.1469 130.3561 130.5266 130.8157 130.8478 131.0957 131.1970 131.3659 131.4288 131.6835 131.8687 132.0843 132.1662 132.2318 132.3930 132.5644 132.7388 132.8603 133.0487 133.1415 133.2381 133.4097 133.6061 134.0303 134.1541 134.3291 134.5949 134.8659 135.1212 135.4252 135.5608 135.7619 135.8887 136.0404 136.3255 136.9312 136.9776 137.1757 137.4732 137.8581 137.9635 138.4019 138.6631 138.7271 138.8478 139.0073 139.1967 139.2897 139.7935 140.1543 140.2157 140.4169 140.6459 141.0435 141.5128 141.6690 142.1553 142.3876 143.3662 143.6978 144.1385 144.3636 144.5708 144.6296 144.7618 144.9853 145.1281 145.3359 145.5088 145.9669 146.1584 146.5756 146.8579 146.9633 147.2089 147.3259 147.5033 147.8472 148.0741 148.2440 148.4967 148.5187 148.7140 148.9057 149.0353 149.2495 149.5024 149.6444 149.8980 150.1876 150.7057 150.8081 150.8610 151.1628 151.3132 152.1309 152.1976 152.4908 152.7686 152.8667 153.2164 153.6949 153.9279 154.6981 154.7328 154.9103 155.3951 155.5502 156.1764 156.4257 156.9572 156.9661 157.2082 157.5399 157.7657 158.0426 158.6283 158.6783 159.1511 159.3670 159.8613 160.0919 160.5453 160.7304 160.8137 161.0802 161.7134 163.0799 163.2468 163.6302 164.2414 164.4871 165.3960 165.9316 166.4703 166.9476 168.7643 170.6136 171.2286 171.4815 172.8590 173.6094 174.6401 174.8710 175.8753 176.8885 177.5717 178.1845 181.0232 184.2368 185.4405 185.8738 187.2218 187.9453 188.3764 188.4055 188.5936 188.6304 188.7342 189.3568 189.7531 190.0054 191.1843 191.2674 191.8547 192.3927 194.6699 195.4246 196.0302 196.1284 197.9721 200.2602 201.3677 201.8108 203.3972 204.5245 204.7712 206.2211 206.9159 207.4689 208.1135 211.7328 228.1870 230.2074 232.3284 232.7268 239.8453 241.9079 244.7799 245.5145 247.4955 248.1420 620.5855 620.8430 622.0840 624.3832 628.3067 631.4622 632.2603 633.4776 634.1411 634.6842 635.1390 635.7097 636.2131 636.5836 637.3056 637.4628 639.0888 640.4639 642.3324 648.4383 651.4945 657.4272 657.5861 658.4688 1211.2996 1211.6679 1216.8585 1558.3651 1560.4461 -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 -0.073418 -0.153376 -0.161777 -0.388799 -0.266394 -0.342658 0.412373 -0.083205 -0.087106 -0.339505 -0.373087 -0.187338 -0.221852 0.074856 -0.139241 -0.210520 0.210183 -0.002512 -0.230276 -0.178057 0.285760 -0.133818 -0.233302 0.440716 0.334983 -0.208964 -0.277890 -0.150210 -0.126400 -0.190356 0.108537 0.110294 0.102562 0.108037 0.105419 0.106848 0.104083 0.099575 0.147860 0.140901 0.097505 0.111770 0.150361 0.157255 0.127432 0.144057 0.160883 0.148274 0.154260 0.153111 0.160520 0.151004 0.150641 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 35.0734 9.1534 9.1618 8.3888 8.2664 8.3427 5.5876 6.0832 6.0871 6.3395 6.3731 6.1873 6.2219 5.9251 6.1392 6.2105 5.7898 6.0025 6.2303 6.1781 5.7142 6.1338 6.2333 5.5593 5.6650 6.2090 6.2779 6.1502 6.1264 6.1904 0.8915 0.8897 0.8974 0.8920 0.8946 0.8932 0.8959 0.9004 0.8521 0.8591 0.9025 0.8882 0.8496 0.8427 0.8726 0.8559 0.8391 0.8517 0.8457 0.8469 0.8395 0.8490 0.8494 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 -0.0734 -0.1534 -0.1618 -0.3888 -0.2664 -0.3427 0.4124 -0.0832 -0.0871 -0.3395 -0.3731 -0.1873 -0.2219 0.0749 -0.1392 -0.2105 0.2102 -0.0025 -0.2303 -0.1781 0.2858 -0.1338 -0.2333 0.4407 0.3350 -0.2090 -0.2779 -0.1502 -0.1264 -0.1904 0.1085 0.1103 0.1026 0.1080 0.1054 0.1068 0.1041 0.0996 0.1479 0.1409 0.0975 0.1118 0.1504 0.1573 0.1274 0.1441 0.1609 0.1483 0.1543 0.1531 0.1605 0.1510 0.1506 1.1744 1.1377 1.1262 1.9120 2.1080 2.0404 3.5113 3.9415 3.6621 3.9274 3.9317 4.0018 4.0091 3.8855 3.9592 3.9665 3.7705 3.6143 3.9441 3.9112 3.6305 3.8918 4.0375 4.5422 3.6552 3.9008 3.9179 3.8941 3.8336 3.8755 0.9846 1.0047 1.0017 1.0028 1.0024 0.9993 1.0061 1.0097 0.9989 1.0049 0.9989 0.9906 1.0153 1.0042 1.0176 1.0017 0.9883 1.0044 0.9990 1.0057 0.9883 0.9994 0.9934 1.1744 1.1377 1.1262 1.9120 2.1080 2.0404 3.5113 3.9415 3.6621 3.9274 3.9317 4.0018 4.0091 3.8855 3.9592 3.9665 3.7705 3.6143 3.9441 3.9112 3.6305 3.8918 4.0375 4.5422 3.6552 3.9008 3.9179 3.8941 3.8336 3.8755 0.9846 1.0047 1.0017 1.0028 1.0024 0.9993 1.0061 1.0097 0.9989 1.0049 0.9989 0.9906 1.0153 1.0042 1.0176 1.0017 0.9883 1.0044 0.9990 1.0057 0.9883 0.9994 0.9934 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 1.0593 1.1390 1.1011 0.9425 0.9698 0.9024 1.1665 0.8814 0.9798 0.9246 0.8734 0.9204 0.8939 0.9899 0.9824 1.3681 1.3340 0.9841 0.9923 0.9857 0.9998 0.9928 0.9959 1.4846 0.9682 1.4934 0.9967 0.9050 1.0253 0.9737 1.3830 0.9597 1.3640 0.9858 1.3578 1.3793 1.3509 0.9803 1.4220 0.9901 1.4061 1.4307 0.9836 0.9860 1.3510 1.3275 1.4172 0.9715 1.4142 0.9887 1.4160 0.9796 1.3705 0.9960 0.9978 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 -0.034639574 -3928.133553306629 -68.37653 66.34265 -2.03388 26.83697 -26.08187 0.75510 -11.93810 12.26979 0.33169 2.19473 5.57857