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:2.3627,-3.434,-.85;3.021,-1.1678,.4161;3.6084,-1.1857,-1.6477;-4.281,.7029,-.4919;1.5507,-.8062,-1.2174;.4601,2.4228,-.6937;-3.8138,-1.3863,.6161;-4.3043,.0591,.7603;-2.3631,-1.3399,.1479;-4.716,-2.1517,-.3534;-3.9372,-2.0472,1.9934;-1.3428,-1.004,1.0385;-2.0079,-1.5319,-1.1856;-4.3772,2.102,-.4151;-.0261,-.8508,.6309;-.6972,-1.3852,-1.6153;.2825,-1.0372,-.7054;-3.0852,2.7722,-.0143;-1.8669,2.278,-.4704;-3.0995,3.9141,.7783;-.687,2.931,-.1499;-1.9128,4.5665,1.0858;-.6977,4.0873,.6221;2.6198,-1.4951,-.8177;1.6163,2.343,.0266;2.799,2.3972,-.701;1.6447,2.1463,1.4025;4.0133,2.2518,-.0483;2.8692,2.0099,2.0426;4.0569,2.0612,1.3265;-5.3261,.0598,1.1672;-3.6688,.583,1.4869;-4.3796,-3.1833,-.473;-5.7345,-2.1836,.0381;-4.7701,-1.7037,-1.3448;-3.5304,-3.0592,1.9822;-4.9872,-2.117,2.2834;-3.4269,-1.4905,2.78;-1.5637,-.8327,2.0836;-2.7516,-1.7968,-1.9239;-4.6638,2.4458,-1.4131;-5.1807,2.4132,.2656;.7237,-.5668,1.3558;-.4451,-1.5269,-2.6585;-1.8236,1.3888,-1.0883;-4.0397,4.2991,1.1548;-1.9314,5.4605,1.696;.2203,4.6098,.8601;2.764,2.5456,-1.7732;.7297,2.0887,1.978;4.9306,2.2929,-.6216;2.8876,1.8537,3.1137;5.0061,1.9507,1.834; 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 3646.0258722362 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 4.887e-06 Time for diagonalization 0.901 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.912 sec Total time needed 1.831 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:2.3627,-3.434,-.85;3.021,-1.1678,.4161;3.6084,-1.1857,-1.6477;-4.281,.7029,-.4919;1.5507,-.8062,-1.2174;.4601,2.4228,-.6937;-3.8138,-1.3863,.6161;-4.3043,.0591,.7603;-2.3631,-1.3399,.1479;-4.716,-2.1517,-.3534;-3.9372,-2.0472,1.9934;-1.3428,-1.004,1.0385;-2.0079,-1.5319,-1.1856;-4.3772,2.102,-.4151;-.0261,-.8508,.6309;-.6972,-1.3852,-1.6153;.2825,-1.0372,-.7054;-3.0852,2.7722,-.0143;-1.8669,2.278,-.4704;-3.0995,3.9141,.7783;-.687,2.931,-.1499;-1.9128,4.5665,1.0858;-.6977,4.0873,.6221;2.6198,-1.4951,-.8177;1.6163,2.343,.0266;2.799,2.3972,-.701;1.6447,2.1463,1.4025;4.0133,2.2518,-.0483;2.8692,2.0099,2.0426;4.0569,2.0612,1.3265;-5.3261,.0598,1.1672;-3.6688,.583,1.4869;-4.3796,-3.1833,-.473;-5.7345,-2.1836,.0381;-4.7701,-1.7037,-1.3448;-3.5304,-3.0592,1.9822;-4.9872,-2.117,2.2834;-3.4269,-1.4905,2.78;-1.5637,-.8327,2.0836;-2.7516,-1.7968,-1.9239;-4.6638,2.4458,-1.4131;-5.1807,2.4132,.2656;.7237,-.5668,1.3558;-.4451,-1.5269,-2.6585;-1.8236,1.3888,-1.0883;-4.0397,4.2991,1.1548;-1.9314,5.4605,1.696;.2203,4.6098,.8601;2.764,2.5456,-1.7732;.7297,2.0887,1.978;4.9306,2.2929,-.6216;2.8876,1.8537,3.1137;5.0061,1.9507,1.834; 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:2.3627,-3.434,-.85;3.021,-1.1678,.4161;3.6084,-1.1857,-1.6477;-4.281,.7029,-.4919;1.5507,-.8062,-1.2174;.4601,2.4228,-.6937;-3.8138,-1.3863,.6161;-4.3043,.0591,.7603;-2.3631,-1.3399,.1479;-4.716,-2.1517,-.3534;-3.9372,-2.0472,1.9934;-1.3428,-1.004,1.0385;-2.0079,-1.5319,-1.1856;-4.3772,2.102,-.4151;-.0261,-.8508,.6309;-.6972,-1.3852,-1.6153;.2825,-1.0372,-.7054;-3.0852,2.7722,-.0143;-1.8669,2.278,-.4704;-3.0995,3.9141,.7783;-.687,2.931,-.1499;-1.9128,4.5665,1.0858;-.6977,4.0873,.6221;2.6198,-1.4951,-.8177;1.6163,2.343,.0266;2.799,2.3972,-.701;1.6447,2.1463,1.4025;4.0133,2.2518,-.0483;2.8692,2.0099,2.0426;4.0569,2.0612,1.3265;-5.3261,.0598,1.1672;-3.6688,.583,1.4869;-4.3796,-3.1833,-.473;-5.7345,-2.1836,.0381;-4.7701,-1.7037,-1.3448;-3.5304,-3.0592,1.9822;-4.9872,-2.117,2.2834;-3.4269,-1.4905,2.78;-1.5637,-.8327,2.0836;-2.7516,-1.7968,-1.9239;-4.6638,2.4458,-1.4131;-5.1807,2.4132,.2656;.7237,-.5668,1.3558;-.4451,-1.5269,-2.6585;-1.8236,1.3888,-1.0883;-4.0397,4.2991,1.1548;-1.9314,5.4605,1.696;.2203,4.6098,.8601;2.764,2.5456,-1.7732;.7297,2.0887,1.978;4.9306,2.2929,-.6216;2.8876,1.8537,3.1137;5.0061,1.9507,1.834; 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 3000 GEPOL Volume 3264.0116 GEPOL Surface-area 1695.3135 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.0s) Overall time for CPCM initialization 1.1s -3928.11558556 3646.02587224 -7574.14145779 -12690.19264295 5116.05118516 -0.02320263 -7846.90049167 3918.78490611 2.00238101 122.000016677485 122.000016677485 244.000033354969 -198.383057796825 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 -13141.5335 -1704.0812 -1535.4154 -1535.3362 -1535.3332 -675.7244 -675.6395 -525.3154 -524.5673 -523.5297 -287.3219 -281.6873 -281.5184 -281.4980 -280.8948 -280.7053 -280.1267 -280.0145 -280.0066 -279.9241 -279.8789 -279.8125 -279.8090 -279.7832 -279.7798 -279.7627 -279.7141 -279.7115 -279.6552 -279.6271 -279.6013 -279.5675 -279.1626 -279.0791 -240.1117 -180.9571 -180.6444 -180.6423 -75.1529 -75.0664 -75.0651 -74.8068 -74.8066 -39.0227 -36.9893 -33.6608 -32.9085 -31.6371 -27.0629 -26.9105 -26.5042 -25.7218 -25.2760 -24.3091 -24.0422 -23.8503 -23.7643 -23.6133 -22.9366 -22.2660 -21.9447 -21.7645 -20.7575 -20.4331 -20.3697 -19.9363 -19.6812 -19.3307 -19.2028 -18.7879 -18.6046 -18.2774 -18.0853 -17.6603 -16.7452 -16.5902 -16.4779 -16.0664 -16.0006 -15.8301 -15.8161 -15.7671 -15.6114 -15.4318 -15.3698 -15.0247 -14.9429 -14.7390 -14.6554 -14.4211 -14.2785 -14.2255 -14.1589 -13.9661 -13.7028 -13.6115 -13.4494 -13.3157 -13.1785 -12.9690 -12.7673 -12.6967 -12.6406 -12.4853 -12.3475 -12.2958 -12.0101 -11.8718 -11.7134 -11.5890 -11.5174 -11.2970 -10.9996 -10.9482 -10.8679 -9.8479 -9.5824 -9.4072 -9.3011 -9.2005 -9.0189 -8.3247 1.1971 1.3817 1.4811 1.5779 1.8658 1.9668 2.1936 3.2300 3.7092 3.8705 3.9912 4.1422 4.1678 4.3321 4.4666 4.6028 4.7309 4.7829 4.9718 5.1104 5.1477 5.1957 5.2409 5.3268 5.5343 5.5815 5.7118 5.8428 5.8998 5.9659 6.0341 6.2294 6.2743 6.3234 6.3974 6.4734 6.5941 6.6935 6.8004 6.9422 7.1252 7.2721 7.3125 7.4110 7.4832 7.5647 7.7060 7.7582 7.8658 7.9360 7.9618 8.0202 8.1602 8.2125 8.3948 8.4908 8.5621 8.6345 8.7712 8.8693 8.9604 9.0350 9.1038 9.2269 9.2874 9.4238 9.4416 9.5909 9.6399 9.7901 9.8940 10.0523 10.1321 10.1498 10.2533 10.3676 10.3876 10.4731 10.5907 10.6515 10.8124 10.9511 11.0162 11.1487 11.2902 11.4089 11.4638 11.5661 11.7520 11.7799 11.8421 12.0065 12.0801 12.1332 12.1932 12.3671 12.4903 12.5525 12.5994 12.6989 12.7382 12.7995 12.9109 12.9543 13.0466 13.1413 13.2657 13.2798 13.5027 13.5581 13.6128 13.6402 13.7179 13.8378 13.9321 14.0211 14.0500 14.2402 14.3321 14.3928 14.4421 14.5034 14.6120 14.8080 14.8331 14.9123 14.9718 15.0246 15.1359 15.2340 15.2602 15.4151 15.5063 15.5879 15.6238 15.6912 15.9111 15.9689 16.0729 16.0764 16.2157 16.3830 16.4401 16.5070 16.5644 16.6715 16.8659 16.9497 17.0435 17.0846 17.2724 17.4382 17.5691 17.7242 17.8104 17.9995 18.0895 18.1475 18.3017 18.4321 18.5434 18.6957 18.8281 18.9267 19.1967 19.2363 19.4145 19.5839 19.8232 19.9854 20.0258 20.1134 20.2689 20.4069 20.5186 20.5393 20.6535 20.7993 20.9632 21.0221 21.1373 21.2850 21.3400 21.5022 21.6322 21.7423 21.8662 21.9937 22.2025 22.2710 22.3287 22.4683 22.6743 22.7291 22.8180 22.8635 22.9931 23.1981 23.3368 23.3725 23.4807 23.7207 23.7338 23.9913 24.0689 24.0904 24.2545 24.4061 24.4615 24.5311 24.6184 24.8465 25.0240 25.0782 25.2478 25.3994 25.5031 25.5786 25.6899 25.7043 25.8420 25.9339 26.1482 26.2039 26.2536 26.3086 26.4916 26.6533 26.7885 26.9353 27.2076 27.2535 27.3885 27.5086 27.6670 27.6970 27.8325 27.8932 28.1970 28.3063 28.4697 28.6454 28.9123 29.0295 29.0805 29.2626 29.3810 29.5617 29.7270 29.8106 29.8901 30.1197 30.1873 30.2516 30.3163 30.4339 30.6003 30.6386 30.6911 30.8306 31.0603 31.2187 31.2881 31.4149 31.5823 31.6562 31.7107 31.9279 32.0172 32.1595 32.2122 32.3946 32.6037 32.6175 32.7951 32.9366 33.0216 33.1643 33.1952 33.2893 33.3869 33.4353 33.7051 33.7859 33.9130 34.1511 34.2512 34.3238 34.4200 34.4294 34.6073 34.7820 34.8545 35.0792 35.1975 35.3007 35.4332 35.5044 35.6907 35.8064 35.9675 36.0438 36.3658 36.4733 36.5448 36.6466 36.9628 36.9757 37.0564 37.2619 37.3644 37.4326 37.5406 37.7116 37.8905 37.9698 38.1368 38.2161 38.3460 38.4335 38.6008 38.6990 38.7380 38.8428 39.0594 39.1648 39.2448 39.2832 39.4731 39.5633 39.6855 39.7524 39.8071 39.9265 40.1687 40.2639 40.3714 40.4503 40.6378 40.7515 40.7920 40.9821 41.0937 41.1965 41.2647 41.3135 41.3932 41.5636 41.6490 41.8179 42.0604 42.1840 42.3123 42.3362 42.5459 42.5858 42.6824 42.9213 43.0441 43.2289 43.3929 43.4396 43.5068 43.5513 43.6691 43.7349 43.9666 44.1703 44.3529 44.4225 44.5500 44.5993 44.7214 44.8398 44.9355 45.0040 45.1043 45.1545 45.2622 45.4911 45.5710 45.7155 45.8911 45.9413 46.0929 46.2025 46.3831 46.4594 46.6201 46.6964 46.8205 46.9713 47.0837 47.2343 47.2721 47.4441 47.5001 47.5785 47.7224 47.8548 47.9360 48.0734 48.2810 48.4204 48.5653 48.6215 48.8061 48.8842 48.9631 49.2027 49.3014 49.4240 49.7680 49.9747 50.1350 50.2687 50.3964 50.5260 50.5953 50.8359 50.9824 51.1560 51.2608 51.5315 51.6441 51.7876 51.9384 52.1583 52.2512 52.4304 52.8040 52.9859 53.0610 53.1248 53.4152 53.6653 53.7457 53.9537 54.0170 54.1275 54.5465 54.6762 55.2154 55.3552 55.5537 55.8630 55.9994 56.3116 56.4702 56.6197 56.6771 56.7846 56.9502 57.1308 57.3873 57.6395 57.6599 57.7331 57.9103 58.1942 58.4123 58.5806 58.7869 58.9035 59.0650 59.4158 59.6533 59.9769 60.0150 60.2263 60.4879 60.6998 60.9104 60.9646 61.2188 61.4589 61.9641 62.1511 62.4071 62.6546 62.7199 62.9392 63.5356 63.6364 63.7208 63.7733 64.0647 64.4713 64.5159 64.5773 64.7562 64.8713 65.0477 65.1264 65.3240 65.4565 65.6599 65.9041 66.1837 66.2830 66.5232 66.7754 66.8741 66.9750 67.1849 67.2769 67.4618 67.6667 67.8110 67.9997 68.1451 68.5810 68.6671 68.9558 69.0471 69.2743 69.3328 69.7409 69.8918 70.0861 70.5249 70.6270 71.2367 71.6308 71.7079 72.2024 72.5502 72.6164 72.8375 72.9963 73.2813 73.6680 73.9505 74.1640 74.4472 74.7028 74.8456 75.0516 75.2276 75.2524 75.4036 75.4799 75.5942 75.8431 76.1860 76.3068 76.4882 76.6007 76.7283 76.9413 77.0543 77.2885 77.4046 77.5341 77.7914 77.8866 77.9753 77.9778 78.1470 78.2575 78.4208 78.5334 78.6462 78.8466 78.9025 78.9826 79.0675 79.3471 79.3759 79.6008 79.7189 79.7682 79.8499 80.0153 80.2424 80.2805 80.4039 80.6895 80.8513 81.0332 81.0754 81.1421 81.6138 81.6329 81.7575 81.9542 82.1142 82.2197 82.5925 82.7107 82.8604 82.9124 83.1058 83.2729 83.4534 83.4760 83.6247 83.6569 83.8977 84.0443 84.2440 84.3535 84.5417 84.6037 84.7035 84.7990 84.8177 85.0337 85.1984 85.3787 85.3877 85.5793 85.6633 85.6799 85.8200 85.8705 85.9953 86.0951 86.1462 86.1802 86.2289 86.4442 86.5304 86.5617 86.7738 86.8329 87.0564 87.0964 87.1558 87.2859 87.4231 87.5701 87.6848 87.7724 87.9554 88.0059 88.2092 88.3659 88.4266 88.5458 88.6039 88.8223 88.8835 88.9924 89.1511 89.3036 89.4567 89.6156 89.6612 89.7612 89.8530 89.9788 90.1023 90.1830 90.2569 90.3578 90.4940 90.5803 90.6281 90.8555 91.0124 91.1448 91.1692 91.3011 91.3174 91.4998 91.6316 91.7371 91.9993 92.0811 92.3356 92.4251 92.6439 92.6988 92.8162 92.9726 93.0239 93.1811 93.3029 93.3392 93.4854 93.5197 93.6705 93.7712 93.8343 93.9354 94.0360 94.1168 94.2612 94.4447 94.4605 94.5682 94.7185 94.8677 94.9334 95.1233 95.1888 95.2860 95.4001 95.4752 95.5673 95.7615 95.8104 95.8942 95.9736 96.1462 96.3238 96.4376 96.5169 96.6624 96.7686 96.8390 97.1289 97.2145 97.2842 97.4609 97.6465 97.6636 97.8972 97.9707 98.0506 98.1142 98.1923 98.5677 98.6111 98.7445 98.8645 99.0447 99.2515 99.4326 99.5057 99.5588 99.7865 99.8547 99.9940 100.0669 100.3515 100.3797 100.5791 100.7418 100.8284 101.1384 101.1675 101.2838 101.3670 101.5172 101.7851 102.0106 102.2360 102.3186 102.4572 102.6221 102.8106 103.0173 103.1857 103.3912 103.6287 103.7645 103.8676 103.9269 104.1235 104.2648 104.5715 104.7694 104.8626 104.9768 105.0673 105.2921 105.4207 105.6125 105.6519 105.6777 105.6885 105.8353 105.8978 106.0358 106.0700 106.1995 106.2228 106.3477 106.6669 106.7082 106.9143 107.0095 107.1331 107.1698 107.4225 107.5494 107.7003 107.9079 108.0256 108.0497 108.1859 108.2866 108.4213 108.5922 108.7583 108.9706 109.1162 109.2055 109.3516 109.4919 109.7592 109.9355 110.0381 110.1844 110.3376 110.3552 110.6608 110.8830 110.9959 111.1525 111.2886 111.5395 111.7500 111.8990 111.9617 112.0837 112.3888 112.6546 112.7382 112.8248 113.0100 113.1098 113.3548 113.4410 113.6448 113.7390 113.8828 114.0240 114.2751 114.4358 114.6708 114.8187 114.8847 115.0209 115.0798 115.4373 115.5157 115.6180 115.7249 115.8324 115.9173 116.2370 116.4117 116.5736 116.6773 116.7861 116.9408 117.1654 117.1755 117.3280 117.5232 117.5776 117.6150 117.7225 117.9223 118.0293 118.1503 118.2121 118.3264 118.3744 118.5802 118.6471 118.7947 118.8394 118.9402 119.0297 119.2133 119.3231 119.4654 119.5792 119.6523 119.8270 119.9800 120.1764 120.2646 120.5021 120.6372 120.7105 120.7845 121.0340 121.0907 121.1156 121.2732 121.4595 121.5800 121.7317 121.9763 122.1323 122.1580 122.3218 122.4563 122.7987 122.8265 123.1180 123.1876 123.4528 123.6882 123.9288 124.2108 124.3434 124.4860 124.9750 125.2478 125.6683 125.7985 125.9829 126.2615 126.5184 126.5751 127.0091 127.2247 127.3787 127.8359 128.0252 128.1891 128.4016 128.7564 128.8797 129.1544 129.3291 129.4492 129.5943 129.6980 130.0694 130.3383 130.4450 130.5809 130.7962 130.8609 131.0481 131.1228 131.3637 131.4836 131.6240 131.7705 132.0784 132.1169 132.3006 132.4348 132.5133 132.7306 132.7817 132.9404 133.1020 133.2549 133.6240 133.7457 133.9732 134.1985 134.3514 134.8562 134.9893 135.1716 135.1970 135.5306 135.6337 135.7434 136.1435 136.3354 136.9501 137.0345 137.1791 137.5251 137.7506 137.8822 138.2768 138.4193 138.5365 138.7933 138.9132 139.1590 139.2960 139.5578 139.8281 140.0426 140.2348 140.5737 141.0251 141.3403 141.6140 141.9839 142.6791 143.2132 143.4663 143.9924 144.0873 144.4127 144.6214 144.7325 144.7682 145.1408 145.3675 145.7157 145.8130 145.9604 146.2764 146.7199 146.8516 147.0807 147.4000 147.7714 147.9540 148.0642 148.2253 148.4387 148.6137 148.6707 148.8478 149.0229 149.1969 149.4227 149.7551 149.8515 150.2443 150.6209 150.7415 150.9400 151.2713 151.3629 151.8460 151.9664 152.0955 152.6867 153.1789 153.3890 153.6303 153.8928 154.3612 154.7619 155.2141 155.3638 155.7775 156.2561 156.5789 156.7472 157.0085 157.3813 157.4698 157.7218 157.9738 158.2431 158.4318 159.2608 159.6272 159.6643 160.0449 160.0882 160.3417 160.9477 161.4849 162.3275 162.4116 162.8050 164.2344 164.5376 164.8685 165.9884 166.7205 166.9470 168.9254 169.4807 170.6969 171.3247 172.0849 172.4063 173.0541 173.5073 174.6120 175.9351 177.1193 177.7234 178.6460 181.3725 183.8583 185.6717 185.7993 187.2687 188.2212 188.4169 188.4854 188.6607 188.6939 189.0278 189.7560 190.1359 190.3400 191.4121 191.4678 192.4429 193.6806 194.7409 195.6544 195.9888 196.5134 197.9850 200.3047 200.9747 202.6904 202.9997 204.4478 204.6578 206.6229 207.1822 207.9133 208.2751 209.9633 228.5317 230.0205 231.8806 232.9417 239.9830 242.1105 245.0229 245.6847 247.6668 248.1753 620.0827 621.0760 623.3869 625.5701 628.8194 631.9484 632.2665 633.7844 634.0565 634.7096 635.0812 635.5837 636.1724 636.7114 637.5966 637.8243 638.9522 640.7859 642.5279 648.5948 651.0958 657.2236 657.5646 658.3993 1211.5705 1211.9692 1216.9928 1557.8088 1562.4553 -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 -0.072487 -0.161671 -0.155471 -0.367105 -0.275156 -0.322830 0.388683 -0.109971 0.012117 -0.353357 -0.338799 -0.212138 -0.231533 0.061779 -0.150337 -0.124173 0.112635 0.028111 -0.293669 -0.196025 0.290768 -0.134988 -0.220094 0.449260 0.343949 -0.286674 -0.233992 -0.106559 -0.140885 -0.194707 0.105027 0.112746 0.115451 0.102234 0.094194 0.111483 0.103314 0.100827 0.139308 0.139061 0.105060 0.097527 0.155173 0.147608 0.149298 0.139264 0.157401 0.154031 0.140372 0.157415 0.155178 0.157434 0.155912 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 35.0725 9.1617 9.1555 8.3671 8.2752 8.3228 5.6113 6.1100 5.9879 6.3534 6.3388 6.2121 6.2315 5.9382 6.1503 6.1242 5.8874 5.9719 6.2937 6.1960 5.7092 6.1350 6.2201 5.5507 5.6561 6.2867 6.2340 6.1066 6.1409 6.1947 0.8950 0.8873 0.8845 0.8978 0.9058 0.8885 0.8967 0.8992 0.8607 0.8609 0.8949 0.9025 0.8448 0.8524 0.8507 0.8607 0.8426 0.8460 0.8596 0.8426 0.8448 0.8426 0.8441 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 -0.0725 -0.1617 -0.1555 -0.3671 -0.2752 -0.3228 0.3887 -0.1100 0.0121 -0.3534 -0.3388 -0.2121 -0.2315 0.0618 -0.1503 -0.1242 0.1126 0.0281 -0.2937 -0.1960 0.2908 -0.1350 -0.2201 0.4493 0.3439 -0.2867 -0.2340 -0.1066 -0.1409 -0.1947 0.1050 0.1127 0.1155 0.1022 0.0942 0.1115 0.1033 0.1008 0.1393 0.1391 0.1051 0.0975 0.1552 0.1476 0.1493 0.1393 0.1574 0.1540 0.1404 0.1574 0.1552 0.1574 0.1559 1.1896 1.1356 1.1406 1.9448 2.0766 2.0401 3.5689 3.9875 3.5330 3.9116 3.9164 4.0193 4.0255 3.9009 3.9845 4.0181 3.7209 3.5976 4.0046 3.9429 3.7423 3.8984 3.9324 4.5406 3.4998 4.0040 3.8720 3.8505 3.9044 3.9031 1.0024 0.9815 0.9994 1.0048 1.0132 1.0012 1.0044 1.0028 1.0062 1.0008 0.9891 0.9972 0.9992 1.0046 1.0077 1.0022 0.9907 0.9984 1.0121 0.9997 0.9890 0.9905 0.9908 1.1896 1.1356 1.1406 1.9448 2.0766 2.0401 3.5689 3.9875 3.5330 3.9116 3.9164 4.0193 4.0255 3.9009 3.9845 4.0181 3.7209 3.5976 4.0046 3.9429 3.7423 3.8984 3.9324 4.5406 3.4998 4.0040 3.8720 3.8505 3.9044 3.9031 1.0024 0.9815 0.9994 1.0048 1.0132 1.0012 1.0044 1.0028 1.0062 1.0008 0.9891 0.9972 0.9992 1.0046 1.0077 1.0022 0.9907 0.9984 1.0121 0.9997 0.9890 0.9905 0.9908 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 1.0678 1.0958 1.1348 0.9536 0.9839 0.8058 1.1771 0.9718 0.9013 0.9259 0.8838 0.9033 0.9244 0.9813 0.9912 1.3231 1.3288 1.0011 0.9913 0.9880 0.9952 0.9886 0.9843 1.4906 0.9952 1.4916 0.9951 0.9096 0.9649 1.0292 1.3515 0.9742 1.4143 0.9825 1.3676 1.3749 1.4122 0.9665 1.4357 0.9917 1.3487 1.4230 0.9789 0.9779 1.3510 1.2912 1.4211 1.0051 1.4204 0.9864 1.3888 0.9875 1.4213 0.9799 0.9869 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 -0.034593544 -3928.150179102181 -66.72878 65.05351 -1.67527 46.96573 -46.46002 0.50570 21.97631 -20.61770 1.35861 2.21542 5.63116