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:2.4521,-3.2738,-1.2137;3.8425,-1.115,-.4409;2.4247,-.6994,-1.9997;-4.2592,.6927,-.4792;1.7904,-.9239,.1155;.4691,2.4137,-.3963;-3.8715,-1.4547,.5457;-4.427,-.0362,.7143;-2.3591,-1.3583,.3782;-4.5479,-2.1494,-.6378;-4.2326,-2.2395,1.8126;-1.543,-1.1027,1.4822;-1.7336,-1.4532,-.86;-4.3596,2.0851,-.3213;-.1714,-.9811,1.3612;-.3584,-1.3074,-1.0126;.4178,-1.0866,.1115;-3.0909,2.7111,.2022;-1.8581,2.2609,-.259;-3.1331,3.7608,1.1118;-.6886,2.8695,.168;-1.9561,4.3686,1.5291;-.7258,3.9365,1.0589;2.601,-1.3526,-.8454;1.6271,2.2956,.3145;1.6652,2.0294,1.6779;2.8031,2.379,-.421;2.8941,1.846,2.2967;4.0216,2.1858,.2103;4.0753,1.9201,1.5722;-5.494,-.0898,.9758;-3.9161,.4533,1.5545;-4.1777,-3.1696,-.756;-5.6239,-2.2106,-.4637;-4.4069,-1.6351,-1.5874;-3.7889,-3.236,1.7961;-5.3149,-2.3612,1.8844;-3.9065,-1.7447,2.728;-1.9707,-.9999,2.4705;-2.3119,-1.6367,-1.7547;-4.577,2.4934,-1.3125;-5.2054,2.359,.3227;.442,-.807,2.2357;.0537,-1.3628,-2.0098;-1.7962,1.4434,-.9671;-4.0857,4.1092,1.4925;-1.994,5.1924,2.2303;.1826,4.4294,1.3813;.7557,1.95,2.2587;2.7586,2.5861,-1.483;2.9216,1.6345,3.358;4.934,2.2467,-.3688;5.0278,1.7704,2.0632; 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 3650.1223862658 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 4.894e-06 Time for diagonalization 1.374 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 1.034 sec Total time needed 2.459 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:2.4521,-3.2738,-1.2137;3.8425,-1.115,-.4409;2.4247,-.6994,-1.9997;-4.2592,.6927,-.4792;1.7904,-.9239,.1155;.4691,2.4137,-.3963;-3.8715,-1.4547,.5457;-4.427,-.0362,.7143;-2.3591,-1.3583,.3782;-4.5479,-2.1494,-.6378;-4.2326,-2.2395,1.8126;-1.543,-1.1027,1.4822;-1.7336,-1.4532,-.86;-4.3596,2.0851,-.3213;-.1714,-.9811,1.3612;-.3584,-1.3074,-1.0126;.4178,-1.0866,.1115;-3.0909,2.7111,.2022;-1.8581,2.2609,-.259;-3.1331,3.7608,1.1118;-.6886,2.8695,.168;-1.9561,4.3686,1.5291;-.7258,3.9365,1.0589;2.601,-1.3526,-.8454;1.6271,2.2956,.3145;1.6652,2.0294,1.6778;2.8031,2.379,-.421;2.8941,1.846,2.2967;4.0216,2.1858,.2103;4.0753,1.9201,1.5722;-5.494,-.0898,.9758;-3.9161,.4533,1.5545;-4.1777,-3.1696,-.756;-5.6239,-2.2106,-.4637;-4.4069,-1.6351,-1.5874;-3.7889,-3.236,1.7961;-5.3149,-2.3612,1.8844;-3.9065,-1.7447,2.728;-1.9707,-.9999,2.4705;-2.3119,-1.6367,-1.7547;-4.577,2.4934,-1.3125;-5.2054,2.359,.3227;.442,-.807,2.2357;.0537,-1.3628,-2.0098;-1.7962,1.4434,-.9671;-4.0857,4.1092,1.4925;-1.994,5.1924,2.2303;.1826,4.4294,1.3813;.7557,1.95,2.2587;2.7586,2.5861,-1.483;2.9216,1.6345,3.358;4.934,2.2467,-.3688;5.0278,1.7704,2.0632; 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:2.4521,-3.2738,-1.2137;3.8425,-1.115,-.4409;2.4247,-.6994,-1.9997;-4.2592,.6927,-.4792;1.7904,-.9239,.1155;.4691,2.4137,-.3963;-3.8715,-1.4547,.5457;-4.427,-.0362,.7143;-2.3591,-1.3583,.3782;-4.5479,-2.1494,-.6378;-4.2326,-2.2395,1.8126;-1.543,-1.1027,1.4822;-1.7336,-1.4532,-.86;-4.3596,2.0851,-.3213;-.1714,-.9811,1.3612;-.3584,-1.3074,-1.0126;.4178,-1.0866,.1115;-3.0909,2.7111,.2022;-1.8581,2.2609,-.259;-3.1331,3.7608,1.1118;-.6886,2.8695,.168;-1.9561,4.3686,1.5291;-.7258,3.9365,1.0589;2.601,-1.3526,-.8454;1.6271,2.2956,.3145;1.6652,2.0294,1.6779;2.8031,2.379,-.421;2.8941,1.846,2.2967;4.0216,2.1858,.2103;4.0753,1.9201,1.5722;-5.494,-.0898,.9758;-3.9161,.4533,1.5545;-4.1777,-3.1696,-.756;-5.6239,-2.2106,-.4637;-4.4069,-1.6351,-1.5874;-3.7889,-3.236,1.7961;-5.3149,-2.3612,1.8844;-3.9065,-1.7447,2.728;-1.9707,-.9999,2.4705;-2.3119,-1.6367,-1.7547;-4.577,2.4934,-1.3125;-5.2054,2.359,.3227;.442,-.807,2.2357;.0537,-1.3628,-2.0098;-1.7962,1.4434,-.9671;-4.0857,4.1092,1.4925;-1.994,5.1924,2.2303;.1826,4.4294,1.3813;.7557,1.95,2.2587;2.7586,2.5861,-1.483;2.9216,1.6345,3.358;4.934,2.2467,-.3688;5.0278,1.7704,2.0632; 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 3024 GEPOL Volume 3249.1300 GEPOL Surface-area 1683.4160 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.0s) Overall time for CPCM initialization 1.1s -3928.11377325 3650.12238627 -7578.23615951 -12698.37293933 5120.13677981 -0.02311820 -7846.90827642 3918.79450318 2.00237810 121.999922564573 121.999922564573 243.999845129147 -198.386646926226 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 -13141.5425 -1704.0906 -1535.4250 -1535.3455 -1535.3430 -675.7499 -675.7021 -525.4542 -524.5764 -523.5109 -287.3808 -281.8338 -281.5061 -281.5035 -280.8824 -280.6991 -280.1121 -279.9910 -279.9587 -279.9563 -279.8620 -279.8127 -279.7942 -279.7922 -279.7708 -279.7503 -279.7149 -279.6830 -279.6328 -279.6110 -279.5989 -279.5534 -279.1534 -279.0722 -240.1204 -180.9664 -180.6527 -180.6507 -75.1617 -75.0758 -75.0739 -74.8151 -74.8147 -39.0738 -37.0413 -33.8064 -32.9190 -31.6159 -27.0808 -26.9115 -26.4966 -25.7462 -25.2923 -24.3199 -24.0723 -23.9103 -23.7586 -23.6024 -22.9233 -22.2625 -21.9957 -21.7501 -20.7595 -20.4709 -20.4400 -20.0008 -19.6834 -19.3361 -19.2138 -18.7123 -18.5987 -18.3226 -18.0929 -17.6483 -16.7407 -16.5917 -16.4062 -16.1893 -16.0226 -15.9592 -15.7983 -15.6725 -15.5064 -15.4236 -15.3607 -15.0747 -14.9232 -14.7659 -14.6905 -14.4159 -14.2638 -14.2048 -14.1620 -13.9545 -13.7698 -13.6837 -13.6187 -13.3455 -13.1370 -13.0233 -12.7704 -12.6865 -12.6245 -12.4752 -12.3179 -12.2707 -12.1667 -11.8380 -11.7393 -11.5779 -11.4985 -11.3370 -11.0301 -10.9380 -10.9016 -9.8307 -9.5447 -9.3769 -9.3137 -9.2099 -8.8624 -8.2962 1.1843 1.3329 1.5003 1.6079 1.8637 2.0312 2.2337 3.2521 3.6912 3.8612 3.9401 4.1377 4.1895 4.2986 4.5000 4.5195 4.7189 4.8101 4.9292 5.0599 5.1947 5.2146 5.2530 5.4107 5.5317 5.5544 5.6771 5.8042 5.9149 5.9850 6.1416 6.2236 6.2564 6.3631 6.4306 6.4628 6.6281 6.7070 6.7544 6.8990 7.0361 7.1751 7.2631 7.4114 7.4475 7.6562 7.7799 7.8740 7.8962 7.9753 8.0609 8.1541 8.2290 8.3430 8.3778 8.4929 8.5259 8.6815 8.7790 8.8489 8.9489 8.9606 9.1986 9.3184 9.3474 9.4294 9.5222 9.5669 9.6874 9.7346 9.7900 9.9148 9.9528 10.2048 10.3062 10.3172 10.4148 10.4818 10.5691 10.6994 10.8277 11.0549 11.1450 11.1877 11.2430 11.2983 11.5088 11.5268 11.6181 11.7909 11.9244 11.9974 12.1051 12.2496 12.3395 12.4628 12.4864 12.5461 12.5930 12.6576 12.7153 12.7879 12.9344 12.9601 13.0803 13.1386 13.2985 13.4322 13.5244 13.6056 13.6136 13.6943 13.7570 13.8521 13.9025 14.0049 14.0479 14.1939 14.2579 14.3176 14.3979 14.4937 14.5938 14.6702 14.8790 14.9256 14.9646 15.0528 15.1268 15.2041 15.2292 15.3094 15.4381 15.6093 15.7064 15.8236 15.9219 15.9521 15.9801 16.0636 16.1205 16.2959 16.4681 16.5762 16.6020 16.7385 16.8896 16.9084 17.0285 17.1436 17.4292 17.4914 17.5998 17.7364 17.8577 18.0116 18.0629 18.2081 18.3763 18.4956 18.6173 18.6833 18.9246 19.0487 19.1903 19.2979 19.3960 19.6474 19.7814 19.9008 19.9305 20.0460 20.2284 20.2937 20.4862 20.5514 20.6717 20.8168 20.9172 21.0301 21.1761 21.2902 21.4796 21.5363 21.5882 21.7137 21.8431 21.8659 22.0485 22.1754 22.3005 22.4775 22.6048 22.7346 22.8612 22.9998 23.0750 23.2416 23.2857 23.4855 23.5571 23.7254 23.7785 23.8485 23.9270 24.2166 24.2304 24.2581 24.4347 24.6576 24.8552 24.8915 25.0427 25.1947 25.3596 25.4520 25.5029 25.5713 25.7287 25.8283 25.9830 26.0428 26.0926 26.1895 26.2785 26.4337 26.5280 26.6821 26.8788 26.9184 26.9873 27.1455 27.3934 27.5566 27.6898 27.7840 27.8386 27.9430 28.0584 28.2963 28.4019 28.4698 28.6864 28.8468 29.1555 29.2496 29.4984 29.5669 29.6580 29.7590 29.9419 30.1135 30.1755 30.3032 30.3229 30.4379 30.5118 30.5975 30.7469 30.9937 31.1197 31.1806 31.2519 31.3359 31.4383 31.6249 31.7603 31.8465 31.9683 32.0894 32.3808 32.4325 32.5633 32.6322 32.8075 32.9614 33.0192 33.1676 33.2912 33.3459 33.3865 33.5477 33.6117 33.7947 33.9719 34.1668 34.2377 34.2856 34.4020 34.5628 34.6878 34.7730 34.8336 34.9299 35.1884 35.4873 35.5405 35.7042 35.8190 35.9582 36.1251 36.3021 36.4153 36.4529 36.6676 36.8297 36.8373 37.0124 37.0377 37.1154 37.3237 37.4496 37.6243 37.6905 37.9555 38.0151 38.1536 38.2837 38.3196 38.5293 38.6042 38.6384 38.7543 38.9934 39.0765 39.1366 39.3201 39.4283 39.4632 39.5238 39.6566 39.7123 39.8970 39.9286 40.1633 40.2292 40.3434 40.3935 40.5369 40.7165 40.7469 40.8166 40.9721 41.0395 41.1212 41.3344 41.4352 41.5828 41.7875 41.9459 42.0088 42.1064 42.2698 42.4529 42.5329 42.6539 42.7192 42.8802 43.1108 43.1891 43.2224 43.3730 43.4973 43.6444 43.6992 43.8470 43.9604 44.0785 44.2625 44.3039 44.5651 44.6001 44.7456 44.7867 44.8371 44.9432 45.0492 45.4162 45.4379 45.5792 45.6620 45.7305 45.8944 45.9180 45.9581 46.2457 46.3691 46.4725 46.5277 46.6643 46.8806 47.0532 47.1022 47.1217 47.1988 47.3484 47.4678 47.5320 47.8184 47.8757 48.0355 48.1711 48.2979 48.3379 48.4851 48.5052 48.7360 49.0255 49.1254 49.3327 49.3735 49.5764 49.6616 49.9016 50.1961 50.2357 50.2947 50.4360 50.5954 50.6836 51.0186 51.2640 51.3505 51.5208 51.6235 51.9511 51.9868 52.2460 52.4364 52.6249 52.6496 52.8171 53.0140 53.1191 53.3370 53.7574 53.8652 54.0108 54.0625 54.3555 54.6632 54.7949 55.1389 55.4205 55.5406 55.8623 55.9574 56.1350 56.4013 56.4853 56.5369 56.9557 56.9919 57.1220 57.2499 57.4709 57.5260 57.9489 58.1101 58.2318 58.5159 58.5843 58.8508 58.9365 59.3227 59.4882 59.6851 59.8075 60.0219 60.1586 60.3689 60.5734 61.1262 61.1788 61.2816 61.5258 61.7705 62.0340 62.3895 62.4441 62.8233 63.0672 63.5111 63.7445 63.8903 64.0864 64.3101 64.3971 64.5171 64.7130 64.8030 64.9049 65.1387 65.2481 65.4039 65.4589 65.7001 66.0151 66.1424 66.3299 66.5064 66.7134 66.7926 66.9258 67.1399 67.3548 67.5466 67.6442 67.6963 68.0714 68.2796 68.6381 68.7258 68.8725 69.1789 69.4679 69.6194 69.8228 69.8664 70.0633 70.5691 70.8870 71.2360 71.6310 71.8717 72.4747 72.6023 72.6895 72.8485 73.0345 73.2222 73.6125 74.0234 74.1029 74.4250 74.6949 74.9231 74.9557 75.2033 75.3476 75.4315 75.4827 75.5804 75.7022 76.2872 76.3937 76.5562 76.6704 76.7792 76.8902 77.0150 77.1954 77.3869 77.4195 77.7276 77.7815 77.9473 78.0074 78.1714 78.3647 78.4178 78.5311 78.6000 78.7659 78.8975 79.0201 79.1185 79.2911 79.3889 79.5515 79.8114 79.8855 80.0283 80.1530 80.2390 80.4222 80.4675 80.6946 80.8487 80.9506 81.1355 81.3604 81.5216 81.7245 81.7488 81.8231 82.0892 82.2673 82.4461 82.4633 82.6331 82.8371 82.9572 83.0285 83.1739 83.4237 83.4791 83.5770 83.8538 84.0123 84.0683 84.2688 84.5127 84.5911 84.7587 84.8249 84.8999 84.9484 85.1560 85.2468 85.3626 85.5307 85.5883 85.6909 85.8471 85.9145 86.0242 86.0313 86.1169 86.2907 86.3797 86.5389 86.6020 86.6823 86.7288 86.8441 86.9189 87.0093 87.2294 87.3469 87.4730 87.5491 87.7245 87.8471 87.9307 88.0406 88.2211 88.3790 88.5031 88.5990 88.8326 88.8740 88.9094 88.9815 89.2102 89.3613 89.3943 89.5871 89.7460 89.7706 89.8934 89.9535 89.9991 90.1984 90.3217 90.3765 90.4843 90.5147 90.6761 90.7948 91.0392 91.0532 91.2254 91.3649 91.4526 91.6071 91.7996 91.9116 92.0396 92.2250 92.3253 92.4489 92.6453 92.7447 92.8196 92.8530 92.9887 93.1355 93.2910 93.3765 93.4567 93.4935 93.5839 93.6954 93.8390 93.9317 94.0914 94.1527 94.2680 94.3454 94.4986 94.5759 94.7256 94.7879 94.9643 95.0623 95.2195 95.3218 95.4545 95.4924 95.5905 95.7182 95.7285 95.8573 96.0221 96.1272 96.3114 96.4442 96.5063 96.6041 96.8394 97.0127 97.0558 97.1433 97.4603 97.5012 97.6267 97.7521 97.8222 97.8855 97.9512 98.0801 98.1978 98.3873 98.5340 98.5719 98.8297 99.0153 99.0790 99.3215 99.5544 99.6616 99.6823 99.8243 99.9388 99.9668 100.2632 100.4020 100.6072 100.6340 100.7670 101.0855 101.1595 101.2823 101.4010 101.5564 101.7501 101.9530 102.0903 102.3051 102.4506 102.7252 102.8865 103.0655 103.1031 103.3439 103.4858 103.7122 103.8053 104.0146 104.2617 104.3064 104.3706 104.5281 104.7565 104.9300 105.0884 105.2289 105.3761 105.4517 105.6087 105.7269 105.8236 105.9130 106.0696 106.0811 106.1485 106.1887 106.2890 106.4723 106.5892 106.7599 106.8335 106.9359 107.0286 107.3024 107.4516 107.6677 107.7088 107.9219 107.9836 108.1225 108.1311 108.3371 108.4503 108.6728 108.6863 108.8600 109.0671 109.2676 109.3783 109.4419 109.6910 109.9081 109.9708 110.0927 110.3282 110.3813 110.7169 110.9491 111.0279 111.1334 111.2618 111.5144 111.5692 111.8669 112.0742 112.2156 112.3966 112.5570 112.8959 112.9336 113.0562 113.2527 113.3430 113.4291 113.5469 113.6830 114.0849 114.1504 114.2994 114.3858 114.5195 114.7159 114.8326 115.1400 115.1643 115.2014 115.4199 115.6416 115.6521 115.7753 116.0407 116.1640 116.3695 116.4540 116.7584 116.8684 116.8948 117.1238 117.2370 117.3822 117.4748 117.5353 117.7039 117.8359 117.8805 118.0760 118.1458 118.2167 118.3085 118.4266 118.5236 118.5862 118.6831 118.8913 118.9425 119.0829 119.2418 119.3870 119.4926 119.6305 119.6827 119.8814 120.1673 120.1879 120.2886 120.4217 120.5337 120.5622 120.7367 120.8762 121.0813 121.1002 121.1980 121.4003 121.6887 121.9307 122.1369 122.1935 122.3791 122.4252 122.6567 122.7880 122.9481 123.0605 123.2427 123.4409 123.7195 123.9219 124.3119 124.3893 124.4983 125.1611 125.2597 125.6234 125.9038 126.1444 126.1489 126.3569 126.5937 126.8366 127.1489 127.6457 128.1124 128.1174 128.3863 128.6629 128.9063 128.9482 129.2630 129.4505 129.6330 129.6705 129.8272 129.9920 130.2632 130.3817 130.5795 130.7945 130.9464 130.9626 131.2157 131.3181 131.5031 131.7661 131.7995 132.0077 132.1492 132.2268 132.5055 132.6558 132.7779 132.8648 133.0099 133.0764 133.2943 133.5217 133.8657 133.9714 134.2345 134.4150 134.8905 135.0551 135.2153 135.4048 135.4693 135.7039 135.7910 136.1636 136.3766 136.9017 136.9834 137.1725 137.6385 137.8823 138.2448 138.3835 138.4789 138.7881 138.8960 138.9946 139.2087 139.4721 139.5942 139.8890 140.0435 140.4593 140.7419 141.0315 141.6275 141.6409 142.1641 142.6046 143.3019 143.4776 144.0655 144.2067 144.3816 144.6127 144.6737 144.7746 145.0025 145.3482 145.5809 145.7478 146.0563 146.2783 146.7646 146.8380 147.0872 147.3851 147.4056 147.7556 148.0208 148.2207 148.3074 148.5643 148.7585 148.8621 149.0960 149.4002 149.5241 149.6390 149.7594 150.3456 150.5262 150.9305 151.0785 151.3503 151.5254 151.8806 152.1642 152.3418 152.6602 153.0675 153.4592 153.5338 153.9594 154.2408 154.7930 155.0170 155.4065 155.9094 156.1138 156.7268 156.8057 157.0247 157.2343 157.3111 157.5474 158.0124 158.3439 158.4114 159.2369 159.4785 159.6378 159.8022 160.1596 160.2828 160.8721 161.4241 161.7861 162.5657 162.8946 163.0033 164.2747 165.0165 165.9130 166.4989 166.9004 167.1595 169.2897 170.7183 171.2380 172.0570 172.3060 172.8782 174.5929 175.4329 175.9475 177.6129 177.9439 178.7344 181.5515 184.1948 185.5758 185.7947 187.4407 188.0998 188.3696 188.4177 188.5766 188.6820 189.0135 189.3945 190.1208 190.2312 191.0402 191.1929 192.3848 192.6035 194.6543 195.4302 196.3726 196.6554 198.1306 200.3893 201.5218 203.2260 204.1195 204.3683 205.4635 206.8893 207.1439 207.9530 208.4969 209.7351 228.4241 230.1630 232.2379 232.8781 240.0465 242.1187 245.2162 245.7187 247.4432 247.8352 620.0074 621.5510 623.4656 625.8591 628.8957 631.9587 632.3317 633.7504 634.1725 634.9222 635.0944 635.6556 636.1973 636.6268 637.6164 638.0157 639.1504 640.8516 642.5280 648.6707 651.0834 657.4179 657.6398 658.5428 1211.5542 1212.5078 1217.2932 1558.7497 1563.5404 -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 -0.080368 -0.149850 -0.164685 -0.368035 -0.256724 -0.324483 0.390895 -0.106502 -0.004072 -0.356742 -0.338707 -0.192511 -0.289946 0.069057 -0.236766 -0.101831 0.231272 0.042347 -0.313772 -0.204141 0.296894 -0.132715 -0.225306 0.444804 0.390480 -0.261947 -0.293727 -0.130242 -0.121427 -0.193216 0.104396 0.109920 0.115165 0.102966 0.093108 0.111687 0.101588 0.101664 0.141719 0.141587 0.104684 0.097483 0.147984 0.144292 0.149959 0.139329 0.157473 0.156044 0.152873 0.139997 0.157428 0.154623 0.155999 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 35.0804 9.1499 9.1647 8.3680 8.2567 8.3245 5.6091 6.1065 6.0041 6.3567 6.3387 6.1925 6.2899 5.9309 6.2368 6.1018 5.7687 5.9577 6.3138 6.2041 5.7031 6.1327 6.2253 5.5552 5.6095 6.2619 6.2937 6.1302 6.1214 6.1932 0.8956 0.8901 0.8848 0.8970 0.9069 0.8883 0.8984 0.8983 0.8583 0.8584 0.8953 0.9025 0.8520 0.8557 0.8500 0.8607 0.8425 0.8440 0.8471 0.8600 0.8426 0.8454 0.8440 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 -0.0804 -0.1499 -0.1647 -0.3680 -0.2567 -0.3245 0.3909 -0.1065 -0.0041 -0.3567 -0.3387 -0.1925 -0.2899 0.0691 -0.2368 -0.1018 0.2313 0.0423 -0.3138 -0.2041 0.2969 -0.1327 -0.2253 0.4448 0.3905 -0.2619 -0.2937 -0.1302 -0.1214 -0.1932 0.1044 0.1099 0.1152 0.1030 0.0931 0.1117 0.1016 0.1017 0.1417 0.1416 0.1047 0.0975 0.1480 0.1443 0.1500 0.1393 0.1575 0.1560 0.1529 0.1400 0.1574 0.1546 0.1560 1.1773 1.1473 1.1245 1.9426 2.1333 2.0528 3.5564 3.9925 3.5877 3.9161 3.9143 3.9876 4.1015 3.8967 4.0169 3.9651 3.6847 3.6098 4.0231 3.9517 3.7346 3.8991 3.9341 4.5417 3.4781 3.8771 3.9791 3.9019 3.8424 3.9135 1.0013 0.9822 0.9997 1.0040 1.0137 1.0012 1.0054 1.0025 1.0023 1.0023 0.9894 0.9968 1.0018 1.0188 1.0125 1.0031 0.9906 0.9971 1.0003 1.0127 0.9900 0.9897 0.9905 1.1773 1.1473 1.1245 1.9426 2.1333 2.0528 3.5564 3.9925 3.5877 3.9161 3.9143 3.9876 4.1015 3.8967 4.0169 3.9651 3.6847 3.6098 4.0231 3.9517 3.7346 3.8991 3.9341 4.5417 3.4781 3.8771 3.9791 3.9019 3.8424 3.9135 1.0013 0.9822 0.9997 1.0040 1.0137 1.0012 1.0054 1.0025 1.0023 1.0023 0.9894 0.9968 1.0018 1.0188 1.0125 1.0031 0.9906 0.9971 1.0003 1.0127 0.9900 0.9897 0.9905 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.0649 1.1422 1.0802 0.9567 0.9741 0.8828 1.1774 0.9720 0.9242 0.9231 0.8835 0.8999 0.9223 0.9831 0.9910 1.3194 1.3541 1.0007 0.9910 0.9885 0.9963 0.9885 0.9844 1.5107 0.9894 1.5142 0.9921 0.9151 0.9664 1.0247 1.3496 0.9972 1.3702 0.9397 1.3770 1.3794 1.4159 0.9588 1.4349 0.9909 1.3439 1.4271 0.9786 0.9769 1.2727 1.3381 1.4198 0.9907 1.4163 1.0072 1.4248 0.9779 1.3898 0.9916 0.9865 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 -0.034549144 -3928.148322392065 -67.82974 66.18498 -1.64477 42.99221 -42.61470 0.37751 28.42001 -27.10832 1.31169 2.13736 5.43274