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:2.2243,-3.1554,1.0507;2.279,-.4709,1.2353;3.566,-1.2603,-.2913;-4.4028,1.0497,-.8348;1.4792,-1.1538,-.7246;.6468,2.0921,-1.0985;-4.2162,-1.3395,-.4766;-4.7112,.0053,.0655;-2.6941,-1.319,-.5364;-4.8509,-1.6127,-1.8399;-4.6901,-2.4272,.4941;-1.9503,-1.2229,.6391;-1.9847,-1.3615,-1.7336;-4.0933,2.2849,-.2189;-.5651,-1.1658,.6421;-.5987,-1.3214,-1.7572;.103,-1.2247,-.5703;-2.6838,2.2966,.31;-1.6238,2.2502,-.5904;-2.4182,2.2906,1.674;-.317,2.1899,-.1324;-1.1064,2.2215,2.1249;-.0479,2.1591,1.2326;2.3581,-1.3718,.2481;1.9333,2.5162,-.8971;2.927,1.7903,-1.5409;2.2537,3.6495,-.159;4.2514,2.1833,-1.4206;3.5849,4.0247,-.0394;4.5891,3.2948,-.6604;-5.7981,-.0448,.2158;-4.2648,.185,1.0505;-5.9379,-1.6169,-1.7448;-4.5926,-.8681,-2.5925;-4.5524,-2.589,-2.2256;-4.3279,-3.4082,.1847;-5.7807,-2.4675,.5161;-4.3504,-2.2537,1.5157;-2.45,-1.1711,1.5981;-2.5017,-1.4329,-2.6801;-4.2124,3.0502,-.9886;-4.8025,2.5193,.583;-.0595,-1.0611,1.5902;-.0676,-1.3603,-2.6996;-1.813,2.2586,-1.658;-3.2352,2.3323,2.3837;-.9012,2.1997,3.1872;.964,2.0838,1.6061;2.6616,.9311,-2.1425;1.4847,4.2398,.3215;5.021,1.6123,-1.9233;3.8337,4.9017,.5436;5.6237,3.5935,-.5583; 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 3674.9123099578 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 4.708e-06 Time for diagonalization 0.405 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.366 sec Total time needed 0.780 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:2.2243,-3.1554,1.0507;2.279,-.4709,1.2353;3.566,-1.2603,-.2913;-4.4028,1.0497,-.8348;1.4792,-1.1538,-.7246;.6468,2.0921,-1.0985;-4.2162,-1.3395,-.4766;-4.7112,.0053,.0655;-2.6941,-1.319,-.5364;-4.8509,-1.6127,-1.8399;-4.6901,-2.4272,.4941;-1.9503,-1.2229,.6391;-1.9847,-1.3615,-1.7336;-4.0933,2.2849,-.2189;-.5651,-1.1658,.6421;-.5987,-1.3214,-1.7572;.103,-1.2247,-.5703;-2.6838,2.2966,.31;-1.6238,2.2502,-.5904;-2.4182,2.2906,1.674;-.317,2.1899,-.1324;-1.1064,2.2215,2.1249;-.0479,2.1591,1.2326;2.3581,-1.3718,.2481;1.9333,2.5162,-.8971;2.927,1.7903,-1.5409;2.2537,3.6495,-.159;4.2514,2.1833,-1.4206;3.5849,4.0247,-.0394;4.5891,3.2948,-.6604;-5.7981,-.0448,.2158;-4.2648,.185,1.0505;-5.9379,-1.6169,-1.7448;-4.5926,-.8682,-2.5925;-4.5524,-2.589,-2.2256;-4.3279,-3.4082,.1847;-5.7807,-2.4675,.5161;-4.3504,-2.2537,1.5157;-2.45,-1.1711,1.5981;-2.5017,-1.4329,-2.6801;-4.2124,3.0502,-.9886;-4.8025,2.5193,.583;-.0595,-1.0611,1.5902;-.0676,-1.3603,-2.6996;-1.813,2.2586,-1.658;-3.2352,2.3323,2.3837;-.9012,2.1997,3.1872;.964,2.0838,1.6061;2.6616,.9311,-2.1425;1.4847,4.2398,.3215;5.021,1.6123,-1.9233;3.8337,4.9017,.5436;5.6237,3.5935,-.5583; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 454.1558063999997 AuxInfo=1/0/N:10,11,30,28,29,22,20,26,27,23,12,13,15,16,19,14,8,18,9,25,17,21,7,24,1,2,3,4,6,5/E:(1,2)(4,5)(8,9)(11,12)(13,14)(26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,18.3,19.3,20.3,21.3,22.3/rA:53nBrFFOOOCCC3CCC3C3CC3C3C3C3C3C3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s4s7;s7;s7;s7;s9;s9;s4;s12;s13;s5s15s16;s14;s18;s18;s6s19;s20;s21s22;s1s2s3s5;s6;s25;s25;s26;s27;s28s29;s8;s8;s10;s10;s10;s11;s11;s11;s12;s13;s14;s14;s15;s16;s19;s20;s22;s23;s26;s27;s28;s29;s30;/rC:2.2243,-3.1554,1.0507;2.279,-.4709,1.2353;3.566,-1.2603,-.2913;-4.4028,1.0497,-.8348;1.4792,-1.1538,-.7246;.6468,2.0921,-1.0985;-4.2162,-1.3395,-.4766;-4.7112,.0053,.0655;-2.6941,-1.319,-.5364;-4.8509,-1.6127,-1.8399;-4.6901,-2.4272,.4941;-1.9503,-1.2229,.6391;-1.9847,-1.3615,-1.7336;-4.0933,2.2849,-.2189;-.5651,-1.1658,.6421;-.5987,-1.3214,-1.7572;.103,-1.2247,-.5703;-2.6838,2.2966,.31;-1.6238,2.2502,-.5904;-2.4182,2.2906,1.674;-.317,2.1899,-.1324;-1.1064,2.2215,2.1249;-.0479,2.1591,1.2326;2.3581,-1.3718,.2481;1.9333,2.5162,-.8971;2.927,1.7903,-1.5409;2.2537,3.6495,-.159;4.2514,2.1833,-1.4206;3.5849,4.0247,-.0394;4.5891,3.2948,-.6604;-5.7981,-.0448,.2158;-4.2648,.185,1.0505;-5.9379,-1.6169,-1.7448;-4.5926,-.8681,-2.5925;-4.5524,-2.589,-2.2256;-4.3279,-3.4082,.1847;-5.7807,-2.4675,.5161;-4.3504,-2.2537,1.5157;-2.45,-1.1711,1.5981;-2.5017,-1.4329,-2.6801;-4.2124,3.0502,-.9886;-4.8025,2.5193,.583;-.0595,-1.0611,1.5902;-.0676,-1.3603,-2.6996;-1.813,2.2586,-1.658;-3.2352,2.3323,2.3837;-.9012,2.1997,3.1872;.964,2.0838,1.6061;2.6616,.9311,-2.1425;1.4847,4.2398,.3215;5.021,1.6123,-1.9233;3.8337,4.9017,.5436;5.6237,3.5935,-.5583; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Br F O C H 3.0600 1.7300 1.5200 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3005 GEPOL Volume 3236.1590 GEPOL Surface-area 1672.8086 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.6s -3928.09855008 3674.91230996 -7603.01086004 -12748.04274276 5145.03188272 -0.02795620 -7846.89160951 3918.79305943 2.00237458 122.000051383252 122.000051383252 244.000102766505 -198.387828643962 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 -13141.5844 -1704.1328 -1535.4678 -1535.3876 -1535.3847 -675.8024 -675.7527 -525.4914 -524.6445 -523.5140 -287.4282 -281.8270 -281.5564 -281.5415 -280.8373 -280.6368 -280.0514 -279.9533 -279.9422 -279.9329 -279.8417 -279.7966 -279.7832 -279.7805 -279.7802 -279.7626 -279.7454 -279.7176 -279.6826 -279.6485 -279.6037 -279.5833 -279.1100 -279.0355 -240.1625 -181.0086 -180.6946 -180.6928 -75.2041 -75.1178 -75.1161 -74.8569 -74.8568 -39.1178 -37.0859 -33.8103 -32.9162 -31.5198 -27.0766 -26.9290 -26.5240 -25.7366 -25.3210 -24.3233 -24.0857 -23.9151 -23.7470 -23.6425 -22.9463 -22.2319 -22.0001 -21.7234 -20.7343 -20.4998 -20.4262 -20.0049 -19.7296 -19.3654 -19.2507 -18.7066 -18.6132 -18.3524 -18.0556 -17.6199 -16.7352 -16.6447 -16.4016 -16.0843 -16.0606 -15.9859 -15.9295 -15.6327 -15.5264 -15.4021 -15.2644 -15.0292 -15.0009 -14.7886 -14.7405 -14.3781 -14.3339 -14.2537 -14.1661 -14.0033 -13.6989 -13.6352 -13.5747 -13.3211 -13.0873 -13.0468 -12.8839 -12.7207 -12.6307 -12.4005 -12.3414 -12.2058 -12.1929 -11.9046 -11.6672 -11.5846 -11.5360 -11.4150 -11.0013 -10.9562 -10.9175 -9.8486 -9.5083 -9.4476 -9.3836 -9.2481 -8.7837 -8.3301 1.1623 1.3280 1.5534 1.5884 1.7452 2.0252 2.2399 3.3250 3.7617 3.8432 3.9932 4.1143 4.2813 4.3493 4.4407 4.5179 4.7677 4.8100 4.8850 4.9933 5.1311 5.2262 5.2504 5.4549 5.5570 5.5914 5.7235 5.8351 5.9596 6.0322 6.0680 6.1998 6.3457 6.3625 6.4643 6.6192 6.7318 6.7844 6.8585 6.9741 7.0588 7.1099 7.2373 7.3527 7.5354 7.6656 7.6698 7.7968 7.9030 7.9393 7.9851 8.1415 8.2193 8.3042 8.3768 8.4474 8.5966 8.6465 8.6741 8.7573 8.9804 9.0494 9.0930 9.2390 9.3437 9.4143 9.4906 9.5872 9.6196 9.7376 9.8558 9.9813 10.0427 10.1003 10.1359 10.2653 10.3982 10.6150 10.7717 10.8825 10.9217 10.9734 11.1717 11.1815 11.2657 11.3559 11.4136 11.4603 11.5311 11.6896 11.7737 11.8912 11.9346 12.1485 12.2683 12.3023 12.3770 12.5013 12.5584 12.6473 12.6850 12.7843 12.9836 13.0934 13.1914 13.2319 13.3974 13.4175 13.4873 13.5866 13.6081 13.7247 13.8481 13.9396 13.9842 14.0027 14.1378 14.1790 14.2618 14.3610 14.5652 14.6254 14.7132 14.7601 14.8525 14.8709 14.9536 15.0909 15.1432 15.2184 15.2849 15.4287 15.4669 15.5740 15.6477 15.7913 15.8526 15.9175 15.9424 16.0928 16.1430 16.2492 16.3721 16.4748 16.5634 16.6562 16.7748 17.0388 17.1286 17.2380 17.3419 17.5810 17.6618 17.7627 17.9176 18.0914 18.1704 18.3243 18.3819 18.5095 18.6217 18.9468 19.0045 19.1830 19.2080 19.2931 19.4093 19.6702 19.8030 19.9974 20.1204 20.2080 20.2751 20.4006 20.5101 20.5705 20.6667 20.7857 20.9963 21.1841 21.2693 21.3530 21.4058 21.5138 21.6660 21.7603 21.9073 22.0371 22.0824 22.1383 22.3382 22.4247 22.5780 22.7516 22.8477 23.0127 23.0727 23.1603 23.2442 23.3395 23.5609 23.6639 23.7885 23.9699 24.0337 24.1147 24.2604 24.4068 24.5551 24.6054 24.6457 24.9842 25.0983 25.1149 25.2411 25.4319 25.5214 25.6344 25.7453 25.7715 26.0741 26.0926 26.2454 26.2820 26.3137 26.3702 26.7397 26.8257 27.0038 27.0932 27.2338 27.3042 27.3915 27.5043 27.6876 27.7905 27.9766 28.1081 28.2828 28.3652 28.4950 28.6065 28.8153 28.8565 29.0731 29.3382 29.5082 29.5959 29.6445 29.7939 29.8682 29.9993 30.0959 30.1476 30.2362 30.5179 30.6234 30.6922 30.7468 30.8474 31.0813 31.1243 31.2738 31.4281 31.6167 31.7267 31.8400 31.9850 32.0829 32.1158 32.2821 32.4169 32.5784 32.6102 32.8149 32.9496 32.9646 33.0513 33.1892 33.5203 33.6363 33.7203 33.8678 33.9014 34.0555 34.1415 34.2792 34.3249 34.5192 34.6133 34.7166 34.8864 34.9985 35.0724 35.3614 35.4269 35.5616 35.5697 35.8891 35.9685 36.2871 36.3156 36.3691 36.5704 36.6431 36.8218 36.9480 37.0174 37.1204 37.2746 37.3941 37.5912 37.6913 37.7696 38.0145 38.0890 38.2169 38.2818 38.3921 38.5201 38.6577 38.8598 38.9236 39.0002 39.1386 39.2217 39.2783 39.4306 39.5704 39.6379 39.7586 39.8481 39.9629 40.0817 40.1290 40.2725 40.3050 40.5259 40.5566 40.6907 40.9400 41.0877 41.1821 41.4359 41.5125 41.6217 41.7905 41.8419 41.9406 42.0052 42.0912 42.2968 42.3657 42.5289 42.6621 42.7725 42.8346 42.9720 43.0960 43.1110 43.4591 43.5619 43.6964 43.7703 43.9597 44.0004 44.2517 44.2929 44.3920 44.4815 44.6452 44.6992 44.7455 45.0107 45.0516 45.1495 45.2694 45.3817 45.3903 45.6101 45.6896 45.9116 45.9260 46.1418 46.1563 46.2241 46.3934 46.4374 46.6711 46.6977 46.7781 47.0607 47.1257 47.2214 47.4639 47.6556 47.8170 47.8713 47.9359 48.0321 48.1064 48.3422 48.4476 48.4864 48.7391 48.8173 49.0522 49.1393 49.2798 49.4162 49.5240 49.7038 49.7891 49.9412 50.0444 50.2556 50.3598 50.6604 50.7929 50.8661 51.0671 51.2791 51.4127 51.4612 51.7214 51.9788 52.1257 52.2382 52.4200 52.6645 52.8743 53.0170 53.2597 53.5958 53.6061 53.8502 54.1633 54.3574 54.4564 54.7010 54.9359 55.3169 55.3412 55.5570 55.6425 55.7821 56.1683 56.2669 56.4321 56.6112 56.7123 56.8427 57.1289 57.3025 57.4554 57.5034 57.6786 57.9871 58.1768 58.2832 58.5731 58.6453 58.9183 59.1940 59.3777 59.5808 59.8350 59.9718 60.2375 60.4227 60.6406 60.9432 61.0125 61.1600 61.5245 61.7034 61.8180 62.0515 62.2120 62.6936 62.8230 63.2027 63.3414 63.4889 63.6450 64.0586 64.2258 64.2888 64.4886 64.6674 64.8712 64.9848 65.1934 65.4239 65.6106 65.7217 65.9067 66.1743 66.3511 66.4185 66.6967 66.7132 66.8849 66.9943 67.2350 67.3834 67.5200 67.8960 68.0135 68.2255 68.3971 68.6172 68.8550 69.0714 69.2828 69.4357 69.5235 69.8138 69.9469 70.1907 70.5878 70.9537 71.3639 71.5140 71.8914 72.1449 72.4216 72.7045 72.9880 73.5198 73.5791 73.6495 74.0370 74.1628 74.4839 74.6111 74.7472 74.8742 75.2129 75.3882 75.5068 75.7384 75.9384 76.0163 76.3119 76.3878 76.4465 76.6264 76.7885 76.9451 77.0591 77.1866 77.3901 77.4584 77.5566 77.7619 77.9992 78.0604 78.1815 78.3995 78.4318 78.4881 78.6159 78.6564 78.8174 78.8680 79.1077 79.3591 79.5697 79.6364 79.7566 79.8215 80.0634 80.1360 80.1714 80.3305 80.4346 80.5635 80.6671 80.9497 81.0144 81.2272 81.5861 81.7676 81.9120 81.9923 82.3299 82.4570 82.5069 82.5752 82.8942 82.9539 83.0312 83.1319 83.3791 83.5239 83.6458 83.7704 83.9789 84.1350 84.2520 84.3237 84.4988 84.5535 84.6130 84.9733 85.1342 85.2218 85.4023 85.4394 85.5251 85.5472 85.6500 85.7300 85.8847 85.9409 86.0026 86.1431 86.2063 86.3851 86.5271 86.5592 86.6464 86.8131 86.8592 87.0225 87.0545 87.2269 87.3601 87.5104 87.6437 87.7490 87.8715 87.9617 88.0822 88.2062 88.3972 88.4592 88.5070 88.5741 88.7107 88.8397 88.9477 89.1401 89.2217 89.3616 89.4705 89.6126 89.7062 89.7411 89.8554 89.9017 89.9867 90.2184 90.3093 90.4498 90.4824 90.6514 90.8746 90.9552 91.0784 91.2712 91.3719 91.4504 91.5567 91.6292 91.9241 91.9885 92.1821 92.2360 92.4091 92.5360 92.6354 92.7632 92.8695 92.9452 93.0183 93.1359 93.2279 93.3621 93.4101 93.6503 93.7013 93.7295 93.8039 93.9869 94.0656 94.2810 94.3486 94.3970 94.5411 94.7163 94.7859 94.9389 95.0442 95.1912 95.2892 95.4382 95.5132 95.7162 95.8615 95.8998 95.9983 96.0958 96.2989 96.3522 96.4959 96.6712 96.6898 96.8705 97.0004 97.0154 97.1709 97.2378 97.4308 97.4700 97.5539 97.6191 97.9055 98.1302 98.2037 98.2195 98.3466 98.4270 98.6701 98.7416 98.8478 99.0236 99.1541 99.2472 99.3647 99.4530 99.6638 99.7174 99.7605 99.9646 100.1906 100.3872 100.5855 100.7354 100.9501 101.0494 101.2912 101.4655 101.5650 101.8110 101.9512 102.1749 102.2025 102.6208 102.6546 102.8950 103.0425 103.2127 103.3432 103.5216 103.5867 103.7628 103.9396 104.2173 104.2660 104.4389 104.4901 104.6505 104.7715 104.9550 105.1321 105.4140 105.4488 105.5521 105.5758 105.7080 105.7837 105.8830 106.0217 106.1164 106.3242 106.3518 106.4239 106.5627 106.6931 106.7009 107.0475 107.1465 107.2467 107.2915 107.4673 107.6425 107.6930 107.7960 107.9172 107.9456 108.0950 108.1045 108.3900 108.5614 108.7053 108.7968 109.1047 109.2142 109.4006 109.4612 109.6659 109.8759 110.0473 110.2158 110.5047 110.6878 110.9342 111.1010 111.1783 111.3191 111.4349 111.4965 111.6987 111.7865 111.9451 112.1661 112.3130 112.6650 112.7864 112.8336 113.1103 113.2711 113.3978 113.5707 113.6692 113.7858 114.1508 114.3481 114.4749 114.5961 114.6194 114.8573 114.9462 115.0299 115.0952 115.2258 115.6524 115.6553 115.8770 115.9875 116.2009 116.2677 116.3345 116.7254 116.7602 116.8929 116.9682 117.0296 117.2574 117.3242 117.4230 117.6472 117.7496 117.8887 118.0097 118.1007 118.1572 118.3776 118.4181 118.4888 118.6443 118.7356 118.8076 118.8788 119.0316 119.0786 119.1976 119.3967 119.4861 119.6209 119.6992 119.8428 119.8722 120.0747 120.2188 120.2532 120.3767 120.5228 120.6377 120.8272 121.0263 121.1468 121.3844 121.4340 121.6943 121.9159 122.1130 122.2896 122.3327 122.4240 122.6374 122.8316 122.9797 123.0238 123.3422 123.8139 123.9322 124.1485 124.3520 124.6820 124.8341 125.1938 125.3349 125.6792 125.8782 126.2265 126.3509 126.5790 126.6141 127.0165 127.2359 127.7548 128.0024 128.3423 128.3998 128.5325 128.8209 129.0550 129.2682 129.4535 129.5654 129.7837 129.8724 130.0135 130.3763 130.6031 130.6415 130.7614 130.9475 131.1584 131.2462 131.5327 131.7237 131.8442 132.0535 132.0899 132.3195 132.4011 132.7500 132.8038 132.8821 133.0062 133.0740 133.3045 133.5592 133.6545 133.7569 134.3417 134.3660 134.5449 134.8896 135.0503 135.1442 135.2930 135.5710 135.7457 136.0753 136.2106 136.4100 136.6364 136.7907 137.3163 137.4382 137.7856 138.0410 138.3661 138.6761 138.7512 138.8639 139.1460 139.2112 139.3933 139.6282 140.0763 140.3519 140.6739 140.8961 141.3241 141.5148 141.8308 142.0500 142.6272 143.0577 143.7853 144.1299 144.3901 144.4394 144.6292 144.7244 144.9138 145.1978 145.6645 145.7663 146.0321 146.2048 146.5739 146.6806 147.0095 147.1479 147.2647 147.7253 147.9095 147.9178 148.2276 148.3913 148.5678 148.7604 148.9631 149.1548 149.4294 149.6369 149.7316 150.0233 150.3838 150.4256 150.7595 151.1206 151.2652 151.5869 151.9407 152.1150 152.4287 152.6024 152.7902 153.2773 153.8277 154.1751 154.3749 154.6880 154.8803 155.3376 155.6516 156.1371 156.5471 156.6860 156.7869 157.3030 157.4406 157.7648 158.1598 158.5387 158.7176 159.3369 159.6670 159.8584 160.0434 160.1100 160.4395 160.5828 161.4228 161.4966 162.0899 162.4381 163.2641 164.3310 164.9685 165.7596 165.9075 167.0686 167.1909 168.7141 170.0838 170.6761 171.7374 172.4734 173.0051 174.2047 175.1202 175.5916 177.3562 177.8377 178.8134 181.6352 183.8967 185.2953 186.0056 187.3527 188.1931 188.3610 188.4150 188.5249 188.5777 188.6117 189.1639 189.5263 190.0614 190.4082 191.1458 192.2910 192.7440 194.5965 195.2024 196.3745 197.1188 198.0226 200.3231 201.4134 203.2643 203.6575 204.0456 205.5858 206.6295 206.9200 208.1096 208.5845 209.9046 228.5587 230.2972 232.3670 232.9004 239.9447 242.1094 245.2339 245.8331 247.4933 248.3613 619.0523 622.6268 625.6959 626.4527 629.1383 631.6809 632.6435 633.7639 634.1497 634.8356 635.4280 635.6829 636.6673 636.8086 637.1342 637.8342 639.2365 641.2944 642.8651 648.5272 651.3901 657.6482 657.7995 658.3588 1210.9113 1212.4869 1217.5319 1558.4925 1563.4090 -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 -0.079897 -0.161469 -0.150483 -0.399375 -0.262356 -0.334460 0.408915 -0.087859 -0.066731 -0.367358 -0.341174 -0.304671 -0.176607 0.074111 -0.119677 -0.187412 0.226453 0.110965 -0.401473 -0.234997 0.423046 -0.120061 -0.262321 0.449667 0.342798 -0.290761 -0.233182 -0.122048 -0.148665 -0.189358 0.110491 0.107934 0.105524 0.093229 0.111782 0.108191 0.104146 0.103715 0.143609 0.143704 0.107806 0.102940 0.144043 0.147952 0.125565 0.144413 0.159458 0.149530 0.148928 0.160105 0.160449 0.162013 0.160915 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 35.0799 9.1615 9.1505 8.3994 8.2624 8.3345 5.5911 6.0879 6.0667 6.3674 6.3412 6.3047 6.1766 5.9259 6.1197 6.1874 5.7735 5.8890 6.4015 6.2350 5.5770 6.1201 6.2623 5.5503 5.6572 6.2908 6.2332 6.1220 6.1487 6.1894 0.8895 0.8921 0.8945 0.9068 0.8882 0.8918 0.8959 0.8963 0.8564 0.8563 0.8922 0.8971 0.8560 0.8520 0.8744 0.8556 0.8405 0.8505 0.8511 0.8399 0.8396 0.8380 0.8391 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 -0.0799 -0.1615 -0.1505 -0.3994 -0.2624 -0.3345 0.4089 -0.0879 -0.0667 -0.3674 -0.3412 -0.3047 -0.1766 0.0741 -0.1197 -0.1874 0.2265 0.1110 -0.4015 -0.2350 0.4230 -0.1201 -0.2623 0.4497 0.3428 -0.2908 -0.2332 -0.1220 -0.1487 -0.1894 0.1105 0.1079 0.1055 0.0932 0.1118 0.1082 0.1041 0.1037 0.1436 0.1437 0.1078 0.1029 0.1440 0.1480 0.1256 0.1444 0.1595 0.1495 0.1489 0.1601 0.1604 0.1620 0.1609 1.1783 1.1293 1.1469 1.9078 2.1188 2.0387 3.5261 3.9670 3.6232 3.9204 3.9208 4.1334 3.9426 3.8864 3.9092 4.0127 3.6491 3.4589 4.0916 3.9078 3.4526 3.8844 3.8967 4.5295 3.6205 3.9437 3.9200 3.8874 3.8853 3.9087 1.0051 0.9848 1.0050 1.0133 0.9994 1.0022 1.0041 1.0013 1.0053 0.9976 0.9918 0.9940 1.0166 1.0042 1.0300 1.0039 0.9894 1.0108 1.0192 0.9971 0.9897 0.9892 0.9892 1.1783 1.1293 1.1469 1.9078 2.1188 2.0387 3.5261 3.9670 3.6232 3.9204 3.9208 4.1334 3.9426 3.8864 3.9092 4.0127 3.6491 3.4589 4.0916 3.9078 3.4526 3.8844 3.8967 4.5295 3.6205 3.9437 3.9200 3.8874 3.8853 3.9087 1.0051 0.9848 1.0050 1.0133 0.9994 1.0022 1.0041 1.0013 1.0053 0.9976 0.9918 0.9940 1.0166 1.0042 1.0300 1.0039 0.9894 1.0108 1.0192 0.9971 0.9897 0.9892 0.9892 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 1.0631 1.0829 1.1451 0.9365 0.9526 0.8842 1.1684 0.8856 0.9628 0.9100 0.8829 0.8991 0.9147 0.9914 0.9986 1.3517 1.3226 0.9919 0.9923 1.0015 0.9935 0.9861 0.9828 1.5227 0.9939 1.4756 0.9872 0.9200 0.9861 1.0201 1.2903 0.9631 1.3907 0.9985 1.3549 1.3105 1.3817 1.0105 1.4210 1.0099 1.2549 1.4265 0.9851 0.9965 1.3358 1.3415 1.4285 0.9916 1.4167 0.9815 1.4063 0.9801 1.4150 0.9771 0.9837 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 -0.035399705 -3928.133949785529 -63.97397 62.68286 -1.29112 42.19196 -41.88121 0.31075 -14.20494 15.31749 1.11255 1.73243 4.40349