Orca 5.0.2 RELEASE 1 2 3 4 5 17s13p8d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 6s5p4d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 Br F F O O O C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 1 2 2 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:1.6098,-4.3167,.2706;2.2648,-3.402,2.7071;2.535,-1.9568,1.146;-3.7779,1.5258,-.1338;.5184,-2.4111,1.9756;1.8511,2.5154,-.3132;-3.6063,-.4861,-1.461;-3.5103,1.0433,-1.4314;-2.5098,-1.0507,-.5659;-3.395,-.9387,-2.9105;-5.0051,-.924,-1.0292;-1.1699,-.8412,-.8951;-2.7731,-1.7433,.6117;-3.0546,2.6827,.2294;-.1309,-1.2833,-.0939;-1.7484,-2.2101,1.4242;-.4346,-1.9732,1.0689;-1.67,2.3421,.7171;-.5469,2.6649,-.0344;-1.5182,1.6422,1.9128;.7176,2.3011,.4189;-.2555,1.2881,2.3563;.871,1.6193,1.6156;1.7041,-2.8982,1.6147;2.0207,3.6503,-1.0535;1.6237,4.9049,-.6064;2.6846,3.5089,-2.2647;1.8956,6.0185,-1.3888;2.9593,4.6324,-3.0302;2.5628,5.891,-2.5996;-2.5151,1.3506,-1.7748;-4.2331,1.4673,-2.1429;-2.436,-.6151,-3.3169;-3.4384,-2.0258,-2.989;-4.175,-.5301,-3.5562;-5.2602,-.6151,-.0157;-5.1157,-2.0085,-1.0841;-5.7501,-.4883,-1.6977;-.9066,-.2997,-1.7948;-3.7905,-1.9361,.9225;-3.0039,3.4006,-.5979;-3.6212,3.1615,1.0315;.8837,-1.0579,-.3882;-1.9771,-2.7477,2.3358;-.6656,3.1918,-.9743;-2.3897,1.3807,2.5007;-.1389,.7525,3.2896;1.8603,1.3429,1.9584;1.1144,5.0222,.3421;2.9911,2.5251,-2.5979;1.5873,6.9958,-1.0402;3.4832,4.5185,-3.9706;2.7753,6.7655,-3.2003; 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 3530.3308393263 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 4.956e-06 Time for diagonalization 0.797 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.770 sec Total time needed 1.584 sec 35 9 9 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:1.6098,-4.3167,.2706;2.2648,-3.402,2.7071;2.535,-1.9568,1.146;-3.7779,1.5258,-.1338;.5184,-2.4111,1.9756;1.8511,2.5153,-.3132;-3.6063,-.4861,-1.461;-3.5103,1.0433,-1.4314;-2.5098,-1.0507,-.5659;-3.395,-.9387,-2.9105;-5.0051,-.924,-1.0292;-1.1699,-.8412,-.8951;-2.7731,-1.7433,.6117;-3.0546,2.6827,.2294;-.1309,-1.2833,-.0939;-1.7484,-2.2101,1.4242;-.4346,-1.9732,1.0689;-1.67,2.3421,.7171;-.5469,2.6649,-.0344;-1.5182,1.6422,1.9128;.7176,2.3011,.4189;-.2555,1.2881,2.3563;.871,1.6193,1.6156;1.7041,-2.8982,1.6147;2.0207,3.6503,-1.0535;1.6237,4.9049,-.6064;2.6846,3.5089,-2.2647;1.8956,6.0185,-1.3888;2.9593,4.6324,-3.0302;2.5628,5.891,-2.5996;-2.5151,1.3506,-1.7748;-4.2331,1.4673,-2.1429;-2.436,-.6151,-3.3169;-3.4384,-2.0258,-2.989;-4.175,-.5301,-3.5562;-5.2602,-.6151,-.0157;-5.1157,-2.0085,-1.0841;-5.7501,-.4883,-1.6977;-.9066,-.2997,-1.7948;-3.7905,-1.9361,.9225;-3.0039,3.4006,-.5979;-3.6212,3.1615,1.0315;.8837,-1.0579,-.3882;-1.9771,-2.7477,2.3358;-.6656,3.1918,-.9743;-2.3897,1.3807,2.5007;-.1389,.7525,3.2896;1.8603,1.3429,1.9584;1.1144,5.0222,.3421;2.9911,2.5251,-2.5979;1.5873,6.9958,-1.0402;3.4832,4.5185,-3.9706;2.7753,6.7655,-3.2003; 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:1.6098,-4.3167,.2706;2.2648,-3.402,2.7071;2.535,-1.9568,1.146;-3.7779,1.5258,-.1338;.5184,-2.4111,1.9756;1.8511,2.5154,-.3132;-3.6063,-.4861,-1.461;-3.5103,1.0433,-1.4314;-2.5098,-1.0507,-.5659;-3.395,-.9387,-2.9105;-5.0051,-.924,-1.0292;-1.1699,-.8412,-.8951;-2.7731,-1.7433,.6117;-3.0546,2.6827,.2294;-.1309,-1.2833,-.0939;-1.7484,-2.2101,1.4242;-.4346,-1.9732,1.0689;-1.67,2.3421,.7171;-.5469,2.6649,-.0344;-1.5182,1.6422,1.9128;.7176,2.3011,.4189;-.2555,1.2881,2.3563;.871,1.6193,1.6156;1.7041,-2.8982,1.6147;2.0207,3.6503,-1.0535;1.6237,4.9049,-.6064;2.6846,3.5089,-2.2647;1.8956,6.0185,-1.3888;2.9593,4.6324,-3.0302;2.5628,5.891,-2.5996;-2.5151,1.3506,-1.7748;-4.2331,1.4673,-2.1429;-2.436,-.6151,-3.3169;-3.4384,-2.0258,-2.989;-4.175,-.5301,-3.5562;-5.2602,-.6151,-.0157;-5.1157,-2.0085,-1.0841;-5.7501,-.4883,-1.6977;-.9066,-.2997,-1.7948;-3.7905,-1.9361,.9225;-3.0039,3.4006,-.5979;-3.6212,3.1615,1.0315;.8837,-1.0579,-.3882;-1.9771,-2.7477,2.3358;-.6656,3.1918,-.9743;-2.3897,1.3807,2.5007;-.1389,.7525,3.2896;1.8603,1.3429,1.9584;1.1144,5.0222,.3421;2.9911,2.5251,-2.5979;1.5873,6.9958,-1.0402;3.4832,4.5185,-3.9706;2.7753,6.7655,-3.2003; 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 3037 GEPOL Volume 3256.8077 GEPOL Surface-area 1711.6455 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 1.2s) Overall time for CPCM initialization 1.4s -3928.11366312 3530.33083933 -7458.44450245 -12458.04626173 4999.60175928 -0.02375004 -7846.90547118 3918.79180805 2.00237876 122.000281210655 122.000281210655 244.000562421310 -198.383334625048 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 -13141.5613 -1704.1094 -1535.4436 -1535.3644 -1535.3612 -675.7550 -675.6737 -525.4245 -524.5786 -523.4691 -287.3687 -281.7573 -281.5340 -281.5166 -280.8574 -280.6672 -280.0790 -279.9708 -279.9621 -279.9270 -279.8577 -279.8249 -279.8096 -279.7910 -279.7781 -279.7730 -279.7588 -279.7458 -279.7083 -279.6605 -279.6240 -279.5665 -279.1552 -279.0639 -240.1403 -180.9870 -180.6721 -180.6701 -75.1825 -75.0957 -75.0939 -74.8341 -74.8339 -39.0585 -37.0163 -33.7441 -32.9281 -31.5190 -27.0613 -26.9293 -26.5315 -25.7186 -25.3076 -24.4030 -23.9626 -23.8522 -23.7524 -23.6454 -23.0454 -22.2201 -21.9769 -21.7436 -20.7204 -20.4763 -20.4091 -19.9783 -19.7697 -19.2347 -19.2089 -18.7841 -18.6056 -18.3157 -18.0745 -17.7285 -16.7464 -16.6001 -16.3330 -16.0435 -16.0112 -15.9880 -15.8868 -15.7480 -15.5149 -15.4811 -15.2890 -15.0229 -14.9717 -14.7662 -14.7056 -14.5902 -14.2653 -14.2407 -14.0178 -13.9254 -13.7962 -13.6451 -13.5210 -13.3167 -13.1372 -13.0092 -12.8215 -12.7335 -12.5797 -12.4485 -12.3616 -12.2270 -12.1028 -11.9115 -11.7023 -11.5720 -11.5002 -11.4261 -10.9902 -10.9392 -10.9073 -9.8075 -9.5764 -9.4431 -9.3910 -9.2352 -8.8175 -8.3555 1.1904 1.3286 1.5162 1.5439 1.8543 2.0044 2.1359 3.2306 3.7076 3.7502 3.9491 3.9559 4.1958 4.3301 4.4848 4.6442 4.7411 4.7703 4.9519 5.0262 5.0710 5.2086 5.2932 5.4655 5.4995 5.5915 5.6081 5.7768 5.8472 5.9405 6.0779 6.1877 6.2356 6.2490 6.3595 6.5611 6.6451 6.7440 6.7758 6.9369 6.9461 7.0906 7.1573 7.3312 7.4458 7.4927 7.6206 7.6677 7.8282 7.9470 8.0038 8.0720 8.1169 8.2866 8.3227 8.3464 8.5235 8.5590 8.6998 8.7385 8.7592 8.8854 8.9297 9.0916 9.1342 9.3255 9.3971 9.4584 9.6012 9.7303 9.8477 9.9247 10.0613 10.1022 10.1911 10.2560 10.4221 10.5149 10.6333 10.7496 10.8215 10.8925 11.0427 11.0644 11.2127 11.2872 11.3127 11.4267 11.5077 11.5773 11.6211 11.7245 11.7966 11.8983 12.0797 12.2026 12.2905 12.3376 12.4081 12.5560 12.7039 12.8274 12.8479 12.9232 12.9960 13.1172 13.1615 13.3400 13.4525 13.5260 13.6722 13.7078 13.7566 13.8749 13.9342 13.9520 14.0393 14.1397 14.2294 14.2545 14.3435 14.4163 14.5091 14.5943 14.7058 14.7458 14.8384 14.8814 14.9645 15.0713 15.1851 15.2529 15.3696 15.4514 15.4882 15.5801 15.7127 15.7360 15.7848 15.9750 16.0481 16.2217 16.2516 16.4316 16.4442 16.5085 16.6026 16.7358 16.7665 16.9491 17.1228 17.4155 17.4763 17.5100 17.6936 17.7687 17.9103 18.0454 18.2466 18.4072 18.5246 18.6528 18.9257 19.0339 19.0670 19.2635 19.3353 19.4643 19.6032 19.7715 19.8528 19.9407 20.0606 20.1320 20.2972 20.4410 20.5588 20.5981 20.6899 20.8607 20.9015 21.0483 21.1627 21.1986 21.3310 21.5293 21.6057 21.6515 21.7567 21.9822 22.0438 22.1330 22.2558 22.3768 22.5224 22.6026 22.7696 22.8856 23.0273 23.2638 23.4084 23.4528 23.6423 23.6594 23.8607 23.9828 24.0624 24.1345 24.2797 24.3184 24.5471 24.7682 24.8370 24.8957 25.0837 25.1708 25.3391 25.3839 25.4909 25.6409 25.6875 25.8508 25.9049 26.0532 26.1366 26.3251 26.4805 26.5799 26.6724 26.7565 26.9538 27.1838 27.2406 27.3516 27.4587 27.4980 27.6004 27.8420 27.9822 28.1350 28.1717 28.3914 28.5159 28.5996 28.8253 29.0424 29.1077 29.1794 29.3535 29.4503 29.5009 29.6200 29.7165 29.9418 30.0332 30.1581 30.1983 30.3280 30.5391 30.8075 30.9460 31.0325 31.1704 31.2296 31.2582 31.3554 31.4272 31.6854 31.7222 31.9291 31.9819 32.1154 32.2364 32.3584 32.4112 32.5254 32.7472 32.8679 32.9274 33.0738 33.2135 33.2753 33.4220 33.5767 33.7256 33.8590 33.9818 34.1651 34.3536 34.5020 34.7023 34.7789 34.9386 35.1015 35.2689 35.3144 35.3566 35.4932 35.6147 35.6533 36.0874 36.1457 36.2994 36.3979 36.4594 36.5567 36.6754 36.8256 37.0201 37.1526 37.3304 37.4143 37.5185 37.6393 37.7320 37.8302 37.9885 38.1174 38.2308 38.2842 38.3815 38.4923 38.7850 38.9047 38.9530 39.0045 39.1862 39.2485 39.3188 39.4695 39.5908 39.6322 39.6992 39.8975 39.9348 40.0242 40.1774 40.2789 40.3750 40.5743 40.7428 40.8547 40.8686 41.0152 41.0416 41.2959 41.4756 41.5748 41.7201 41.7256 41.9408 42.1057 42.1693 42.2631 42.4532 42.5444 42.6420 42.8632 42.9828 43.1128 43.1538 43.3397 43.4391 43.5254 43.7476 43.8290 43.9447 44.0565 44.1982 44.3511 44.4710 44.5263 44.5451 44.6582 44.7331 44.8326 44.8812 45.0658 45.1604 45.3480 45.3893 45.6923 45.7425 45.8910 45.9512 46.1308 46.3017 46.4110 46.5209 46.6605 46.7773 46.8339 46.9126 47.1419 47.1604 47.3649 47.4757 47.6366 47.6783 47.8935 48.0372 48.1201 48.1632 48.3644 48.4132 48.5431 48.6578 48.8081 48.9815 49.1354 49.2193 49.2687 49.6700 49.8162 49.9951 50.0882 50.3139 50.3404 50.5519 50.6900 50.8417 50.9669 51.1867 51.2150 51.3992 51.6020 51.7544 52.0024 52.3910 52.4703 52.7614 52.9099 53.0538 53.1530 53.5130 53.6790 53.7356 54.0507 54.2877 54.5445 54.7476 54.8401 55.0034 55.1718 55.4798 55.5917 55.7023 55.9919 56.1282 56.4824 56.6153 56.6483 56.7734 56.9754 57.0637 57.0959 57.3172 57.6142 57.9070 57.9966 58.1691 58.4296 58.5842 58.6526 58.8753 59.1734 59.5537 59.7271 59.8697 60.0631 60.3392 60.4494 60.8397 61.1338 61.3031 61.4818 61.5345 61.8058 61.9318 62.4334 62.7453 62.8973 63.2766 63.3679 63.5120 63.8831 63.9774 64.3164 64.3940 64.5153 64.5662 64.6088 64.6989 65.0491 65.3747 65.4882 65.7530 65.8423 65.9443 66.1731 66.4627 66.5145 66.7218 66.8840 66.9644 67.1491 67.2203 67.5291 67.6644 67.9164 68.0848 68.5853 68.6457 68.8100 68.8639 69.1639 69.2931 69.4610 69.5862 69.9569 70.1842 70.4163 71.0648 71.3551 71.5862 71.9037 72.2848 72.3274 72.8180 72.9317 73.3893 73.6956 73.8495 74.2034 74.4291 74.6145 74.7487 74.7576 75.0387 75.2466 75.4171 75.6942 75.7802 76.0106 76.2234 76.3397 76.4390 76.5797 76.7307 76.8661 77.0516 77.1180 77.2610 77.4322 77.5763 77.7730 77.8174 78.0302 78.1623 78.2868 78.3745 78.4644 78.6111 78.6711 78.9152 79.0172 79.1447 79.2309 79.3259 79.4899 79.6111 79.6322 79.8080 79.9170 80.0430 80.2036 80.2490 80.5073 80.6238 80.8260 81.0667 81.2356 81.5170 81.6747 81.7544 81.8711 81.9735 82.2912 82.4057 82.5380 82.5849 82.7520 82.8927 83.0143 83.3057 83.4115 83.4949 83.6019 83.7498 83.7737 83.9728 84.1295 84.3074 84.5196 84.5690 84.5906 84.8672 84.9061 85.0881 85.2204 85.3066 85.3631 85.4837 85.5509 85.5760 85.6491 85.8667 85.9273 86.0943 86.1986 86.2512 86.3539 86.3679 86.5423 86.7033 86.8000 86.8407 87.1561 87.3024 87.4619 87.5417 87.6347 87.7223 87.8266 87.9348 87.9948 88.0703 88.1215 88.3135 88.3811 88.4857 88.6831 88.7354 88.9146 88.9881 89.0813 89.1402 89.2440 89.3576 89.5417 89.6318 89.7120 89.7758 89.9824 90.0538 90.2690 90.3249 90.3484 90.5167 90.7175 90.8399 90.9203 91.0287 91.2719 91.3950 91.4118 91.6721 91.8617 92.1046 92.2327 92.2739 92.3554 92.4498 92.4790 92.6934 92.7552 92.9413 93.0155 93.0789 93.1533 93.3014 93.4154 93.5093 93.5922 93.7278 93.8195 93.9206 94.0057 94.1100 94.2010 94.4632 94.4946 94.5437 94.6838 94.8357 94.9995 95.1784 95.2300 95.3215 95.5714 95.6064 95.7199 95.7789 95.9832 96.0317 96.1144 96.1894 96.3162 96.3911 96.4759 96.6256 96.8256 96.9173 97.1309 97.1463 97.3885 97.4749 97.6593 97.7125 97.8704 98.1308 98.2192 98.2974 98.3414 98.4367 98.4903 98.7498 98.9412 99.0547 99.1114 99.3513 99.4383 99.6867 99.7504 99.8019 100.0021 100.1424 100.2683 100.3547 100.6423 100.6815 100.9466 101.0381 101.2523 101.4089 101.5646 101.6695 101.8885 102.2677 102.4518 102.5738 102.6906 102.7853 103.0145 103.1917 103.3108 103.4530 103.6265 103.7127 103.9136 104.3521 104.4296 104.5286 104.5686 104.7407 104.7940 105.1383 105.1688 105.3693 105.4984 105.5454 105.6732 105.7000 105.7933 105.8632 105.9671 106.0555 106.2376 106.3417 106.4675 106.5605 106.6358 106.7555 106.8153 106.8645 107.0602 107.1782 107.3294 107.4740 107.5084 107.5942 107.7861 107.8995 107.9812 108.0182 108.2328 108.3571 108.5485 108.7751 108.9834 109.1001 109.2662 109.5004 109.6971 109.8211 109.8745 109.9935 110.1258 110.3869 110.5857 110.8095 110.9726 111.1198 111.2743 111.5725 111.5946 111.7285 111.9174 112.0921 112.3126 112.6758 112.8318 112.9591 113.1319 113.1363 113.4095 113.5266 113.6036 113.7307 114.0737 114.3193 114.3247 114.4786 114.5002 114.7503 114.8752 115.0083 115.1231 115.3248 115.3724 115.4975 115.7898 115.9699 116.1400 116.3210 116.4971 116.5956 116.7482 116.8742 116.9785 117.0382 117.3254 117.3931 117.4411 117.6723 117.8093 117.8548 117.9225 118.0110 118.0990 118.2447 118.4096 118.4942 118.6172 118.7238 118.8637 118.9042 119.0179 119.0360 119.1817 119.3488 119.3650 119.4482 119.6329 119.8121 119.8861 119.9773 120.1097 120.2973 120.3829 120.5427 120.6929 120.9959 121.0832 121.1978 121.3654 121.4461 121.7120 121.8332 121.9059 122.0637 122.3215 122.4173 122.6073 122.6776 122.7268 123.0673 123.4342 123.4680 123.7298 123.9828 124.4859 124.7008 125.0926 125.3592 125.4080 125.5174 125.8842 125.9986 126.3796 126.4115 126.7401 126.9700 127.3931 127.5780 127.8761 128.0462 128.4761 128.8062 128.8931 129.2295 129.2742 129.3598 129.5255 129.8261 129.9919 130.1835 130.3866 130.5360 130.7519 131.0795 131.1201 131.2160 131.3079 131.4625 131.7917 131.8516 131.9990 132.0162 132.1376 132.3786 132.5197 132.8311 132.8771 132.9750 133.0892 133.2999 133.3781 133.5942 133.7331 134.0300 134.1473 134.4962 134.6487 135.1420 135.1845 135.4299 135.6239 135.9196 136.1170 136.3554 136.6743 136.9900 137.1119 137.4727 137.8046 137.8682 138.0478 138.2408 138.4723 138.6057 138.7295 138.9391 139.1110 139.2635 139.8527 140.0761 140.3089 140.6952 141.1457 141.3433 141.4640 141.7339 142.3965 143.0941 143.7319 143.9764 144.1489 144.2636 144.3546 144.6354 144.7972 145.1384 145.3159 145.9044 145.9854 146.2512 146.4448 146.4840 147.0183 147.2579 147.3614 147.5348 147.8229 147.8470 148.1675 148.3089 148.3867 148.6518 148.8665 149.0940 149.2390 149.4285 149.6581 149.8075 150.2226 150.3826 150.4468 150.6223 151.0336 151.3540 151.6830 152.2280 152.4749 152.6855 152.8545 153.2861 153.7194 154.0699 154.4491 154.5883 154.8094 155.1584 155.5800 155.8967 156.1665 156.3682 156.7334 157.0469 157.2761 157.3535 157.9692 158.2765 158.6309 159.1474 159.5931 159.8032 159.9819 160.3298 160.6046 160.6278 161.7529 162.0213 162.3278 162.5780 163.5502 164.0764 164.3808 165.7076 166.1895 166.9806 167.3711 169.2354 169.7587 171.1020 171.9078 172.9613 173.0119 174.4435 174.6979 175.6613 176.7680 177.6477 178.1062 180.8880 183.5151 185.2250 185.2696 187.1674 187.4979 188.3339 188.3738 188.5681 188.6545 188.7146 189.3675 189.6868 190.0150 190.3461 191.1994 192.2803 192.3774 194.6476 195.5889 196.1063 197.4790 197.7856 200.1413 201.2524 202.5814 203.4241 203.4708 204.7715 206.3612 206.7147 207.0751 208.1974 209.6071 228.2058 230.0131 232.1957 232.7847 239.7727 241.9357 244.7675 245.3123 247.1749 247.8472 618.3968 621.5874 624.5344 625.8706 628.6258 631.4134 632.1829 633.6311 634.2072 635.1639 635.2343 635.6280 636.4335 636.6049 636.7771 637.7901 639.1141 641.1058 642.7652 648.3089 651.2589 657.4973 657.5762 658.2235 1211.1429 1211.6990 1215.6120 1557.0794 1559.1949 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 -0.078353 -0.148195 -0.158201 -0.378749 -0.262307 -0.330662 0.398648 -0.081898 -0.051615 -0.335932 -0.367415 -0.250302 -0.181594 0.062319 -0.140223 -0.163481 0.173469 0.076379 -0.221994 -0.294491 0.318438 -0.064539 -0.291289 0.422766 0.302053 -0.205176 -0.262238 -0.142227 -0.116690 -0.189752 0.101966 0.107209 0.102196 0.107843 0.103360 0.095963 0.110755 0.103685 0.139974 0.140386 0.099219 0.107199 0.151562 0.146212 0.142885 0.138644 0.153151 0.138600 0.155110 0.143698 0.158378 0.157581 0.157675 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 35.0784 9.1482 9.1582 8.3787 8.2623 8.3307 5.6014 6.0819 6.0516 6.3359 6.3674 6.2503 6.1816 5.9377 6.1402 6.1635 5.8265 5.9236 6.2220 6.2945 5.6816 6.0645 6.2913 5.5772 5.6979 6.2052 6.2622 6.1422 6.1167 6.1898 0.8980 0.8928 0.8978 0.8922 0.8966 0.9040 0.8892 0.8963 0.8600 0.8596 0.9008 0.8928 0.8484 0.8538 0.8571 0.8614 0.8468 0.8614 0.8449 0.8563 0.8416 0.8424 0.8423 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 -0.0784 -0.1482 -0.1582 -0.3787 -0.2623 -0.3307 0.3986 -0.0819 -0.0516 -0.3359 -0.3674 -0.2503 -0.1816 0.0623 -0.1402 -0.1635 0.1735 0.0764 -0.2220 -0.2945 0.3184 -0.0645 -0.2913 0.4228 0.3021 -0.2052 -0.2622 -0.1422 -0.1167 -0.1898 0.1020 0.1072 0.1022 0.1078 0.1034 0.0960 0.1108 0.1037 0.1400 0.1404 0.0992 0.1072 0.1516 0.1462 0.1429 0.1386 0.1532 0.1386 0.1551 0.1437 0.1584 0.1576 0.1577 1.1787 1.1461 1.1277 1.9272 2.0921 2.0662 3.5479 3.9653 3.5993 3.9195 3.9204 4.0738 3.9634 3.9055 3.9026 4.0234 3.7031 3.5186 3.8721 3.9525 3.6301 3.7888 3.9776 4.5797 3.6851 3.9123 4.0158 3.8887 3.8829 3.9084 0.9865 1.0045 1.0019 1.0026 1.0043 1.0130 0.9996 1.0053 1.0055 0.9987 0.9952 0.9912 1.0097 1.0048 1.0083 1.0090 0.9901 1.0139 0.9996 1.0099 0.9905 0.9893 0.9908 1.1787 1.1461 1.1277 1.9272 2.0921 2.0662 3.5479 3.9653 3.5993 3.9195 3.9204 4.0738 3.9634 3.9055 3.9026 4.0234 3.7031 3.5186 3.8721 3.9525 3.6301 3.7888 3.9776 4.5797 3.6851 3.9123 4.0158 3.8887 3.8829 3.9084 0.9865 1.0045 1.0019 1.0026 1.0043 1.0130 0.9996 1.0053 1.0055 0.9987 0.9952 0.9912 1.0097 1.0048 1.0083 1.0090 0.9901 1.0139 0.9996 1.0099 0.9905 0.9893 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 1.0743 1.1558 1.0979 0.9421 0.9632 0.8547 1.1865 0.9325 0.9522 0.9125 0.8812 0.9218 0.9004 0.9971 0.9906 1.3360 1.3345 0.9823 0.9929 0.9860 0.9918 1.0023 0.9910 1.5075 0.9949 1.4771 0.9857 0.9113 1.0248 0.9836 1.3146 0.9645 1.4126 0.9891 1.3365 1.3392 1.3533 0.9792 1.4104 1.0089 1.3679 1.3697 0.9953 1.0103 1.3457 1.3781 1.4185 0.9714 1.4375 0.9847 1.4149 0.9761 1.4033 0.9780 0.9820 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 -0.032191278 -3928.145854402632 -51.78477 50.67240 -1.11236 73.50597 -72.27217 1.23380 -23.91445 22.78755 -1.12690 2.00736 5.10231