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:1.8653,-1.2554,2.1441;3.8112,-2.0908,.4816;2.4098,-3.6254,1.0131;-3.8211,.1683,.8745;1.9161,-2.0865,-.5102;.4709,3.8158,-.8729;-3.6975,-1.3327,-1.0984;-4.0005,.0627,-.5208;-2.2093,-1.6266,-.9739;-4.0992,-1.3043,-2.5779;-4.5621,-2.3714,-.3868;-1.7092,-2.6564,-.1844;-1.2811,-.8124,-1.6277;-2.5626,.612,1.336;-.3448,-2.8567,-.0116;.0801,-.9801,-1.455;.5393,-1.9918,-.6292;-2.2131,2.0042,.8745;-1.0061,2.2331,.2231;-3.0925,3.0608,1.0903;-.6751,3.5157,-.1995;-2.7541,4.3355,.6621;-1.5494,4.573,.0186;2.5178,-2.339,.6516;1.4801,2.8928,-.9795;1.7948,2.4095,-2.2401;2.212,2.5062,.135;2.8624,1.5334,-2.3866;3.2682,1.6213,-.0226;3.5964,1.1308,-1.28;-3.4231,.8246,-1.0585;-5.056,.2824,-.7107;-3.8851,-2.2609,-3.0571;-5.1696,-1.1147,-2.6815;-3.5762,-.5286,-3.139;-4.4151,-3.3696,-.8035;-5.6173,-2.1213,-.5116;-4.3672,-2.4258,.6844;-2.3792,-3.3307,.3302;-1.615,-.0005,-2.2616;-2.6364,.5983,2.4266;-1.7537,-.0761,1.0708;-.0132,-3.6816,.6032;.7824,-.3168,-1.9446;-.3385,1.3989,.0469;-4.0359,2.8924,1.5948;-3.4336,5.1609,.8324;-1.2889,5.569,-.3176;1.2162,2.7239,-3.0997;1.9645,2.8951,1.1151;3.1133,1.1605,-3.3711;3.8435,1.3227,.8434;4.4257,.4459,-1.3974; 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 3684.3369655802 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 4.496e-06 Time for diagonalization 0.826 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.819 sec Total time needed 1.666 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:1.8653,-1.2554,2.1441;3.8112,-2.0908,.4816;2.4098,-3.6254,1.0131;-3.8211,.1683,.8745;1.9161,-2.0865,-.5102;.4709,3.8158,-.8729;-3.6975,-1.3327,-1.0984;-4.0005,.0627,-.5208;-2.2093,-1.6266,-.9739;-4.0992,-1.3043,-2.5779;-4.5621,-2.3714,-.3868;-1.7092,-2.6564,-.1844;-1.2811,-.8124,-1.6277;-2.5626,.612,1.336;-.3448,-2.8567,-.0116;.0801,-.9801,-1.455;.5393,-1.9918,-.6292;-2.2131,2.0042,.8745;-1.0061,2.2331,.2231;-3.0925,3.0608,1.0903;-.6751,3.5157,-.1995;-2.7541,4.3355,.6621;-1.5494,4.573,.0186;2.5178,-2.339,.6516;1.4801,2.8928,-.9795;1.7948,2.4095,-2.2401;2.212,2.5062,.135;2.8624,1.5334,-2.3866;3.2682,1.6213,-.0226;3.5964,1.1308,-1.28;-3.4231,.8246,-1.0585;-5.056,.2824,-.7107;-3.8851,-2.2609,-3.0571;-5.1696,-1.1147,-2.6815;-3.5762,-.5286,-3.139;-4.4151,-3.3696,-.8035;-5.6173,-2.1213,-.5116;-4.3672,-2.4258,.6844;-2.3792,-3.3307,.3302;-1.615,-.0005,-2.2616;-2.6364,.5983,2.4266;-1.7537,-.0761,1.0708;-.0132,-3.6816,.6032;.7824,-.3168,-1.9446;-.3385,1.3989,.0469;-4.0359,2.8924,1.5948;-3.4336,5.1609,.8324;-1.2889,5.569,-.3176;1.2162,2.7239,-3.0997;1.9645,2.8951,1.1151;3.1133,1.1605,-3.3711;3.8435,1.3227,.8434;4.4257,.4459,-1.3974; 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:1.8653,-1.2554,2.1441;3.8112,-2.0908,.4816;2.4098,-3.6254,1.0131;-3.8211,.1683,.8745;1.9161,-2.0865,-.5102;.4709,3.8158,-.8729;-3.6975,-1.3327,-1.0984;-4.0005,.0627,-.5208;-2.2093,-1.6266,-.9739;-4.0992,-1.3043,-2.5779;-4.5621,-2.3714,-.3868;-1.7092,-2.6564,-.1844;-1.2811,-.8124,-1.6277;-2.5626,.612,1.336;-.3448,-2.8567,-.0116;.0801,-.9801,-1.455;.5393,-1.9918,-.6292;-2.2131,2.0042,.8745;-1.0061,2.2331,.2231;-3.0925,3.0608,1.0903;-.6751,3.5157,-.1995;-2.7541,4.3355,.6621;-1.5494,4.573,.0186;2.5178,-2.339,.6516;1.4801,2.8928,-.9795;1.7948,2.4095,-2.2401;2.212,2.5062,.135;2.8624,1.5334,-2.3866;3.2682,1.6213,-.0226;3.5964,1.1308,-1.28;-3.4231,.8246,-1.0585;-5.056,.2824,-.7107;-3.8851,-2.2609,-3.0571;-5.1696,-1.1147,-2.6815;-3.5762,-.5286,-3.139;-4.4151,-3.3696,-.8035;-5.6173,-2.1213,-.5116;-4.3672,-2.4258,.6844;-2.3792,-3.3307,.3302;-1.615,-.0005,-2.2616;-2.6364,.5983,2.4266;-1.7537,-.0761,1.0708;-.0132,-3.6816,.6032;.7824,-.3168,-1.9446;-.3385,1.3989,.0469;-4.0359,2.8924,1.5948;-3.4336,5.1609,.8324;-1.2889,5.569,-.3176;1.2162,2.7239,-3.0997;1.9645,2.8951,1.1151;3.1133,1.1605,-3.3711;3.8435,1.3227,.8434;4.4257,.4459,-1.3974; 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 2969 GEPOL Volume 3216.0230 GEPOL Surface-area 1598.6696 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 1.0s -3928.11085523 3684.33696558 -7612.44782081 -12764.86561402 5152.41779321 -0.02032619 -7846.90439322 3918.79353799 2.00237760 121.999949972348 121.999949972348 243.999899944697 -198.388548944173 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 -13141.5747 -1704.1180 -1535.4537 -1535.3725 -1535.3712 -675.7672 -675.6565 -525.4101 -524.5612 -523.4869 -287.3593 -281.7796 -281.5807 -281.4624 -280.8059 -280.6587 -280.0513 -279.9994 -279.9770 -279.9682 -279.8878 -279.8351 -279.8299 -279.8133 -279.8119 -279.7933 -279.7869 -279.7734 -279.6908 -279.6654 -279.6313 -279.5142 -279.1610 -279.0568 -240.1445 -180.9924 -180.6748 -180.6743 -75.1877 -75.1000 -75.0988 -74.8371 -74.8369 -39.0504 -37.0082 -33.7503 -32.9118 -31.4723 -27.0944 -26.9249 -26.5414 -25.6955 -25.3085 -24.4057 -23.9595 -23.8727 -23.7645 -23.6776 -23.0573 -22.3210 -21.9542 -21.7500 -20.7248 -20.4459 -20.4098 -20.0006 -19.7910 -19.2915 -19.1583 -18.8155 -18.6141 -18.3156 -18.0890 -17.6398 -16.7783 -16.4742 -16.3653 -16.2487 -15.9841 -15.9245 -15.8419 -15.7272 -15.5593 -15.4778 -15.3339 -15.0739 -14.9853 -14.8212 -14.7437 -14.5866 -14.3067 -14.2731 -14.0319 -13.8608 -13.7914 -13.5703 -13.5244 -13.2255 -13.0560 -12.9936 -12.8383 -12.7213 -12.5505 -12.4849 -12.4073 -12.2996 -12.0957 -12.0805 -11.8048 -11.5946 -11.4642 -11.3507 -11.0054 -10.9357 -10.8305 -9.8226 -9.5986 -9.4665 -9.2978 -9.2225 -8.8154 -8.4477 1.1576 1.3078 1.4012 1.6016 1.8161 1.9627 2.0956 3.2350 3.5857 3.7266 4.0629 4.1648 4.1848 4.2703 4.5132 4.5393 4.7678 4.8199 4.9505 5.0105 5.0599 5.2226 5.3235 5.4778 5.5081 5.5893 5.6839 5.8109 5.8836 5.9350 6.0398 6.0995 6.2131 6.2910 6.3707 6.5127 6.6552 6.7034 6.7678 6.8930 7.1280 7.1634 7.2497 7.4138 7.4743 7.5901 7.6755 7.7616 7.8294 7.8754 8.0874 8.0982 8.2257 8.2930 8.3746 8.5041 8.6210 8.6548 8.7249 8.8276 8.9072 9.0555 9.2233 9.2968 9.3047 9.4329 9.4988 9.6073 9.8162 9.8468 9.9219 10.0244 10.0656 10.2963 10.3259 10.4403 10.5956 10.6652 10.7319 10.8273 10.9814 11.0409 11.1901 11.3132 11.3457 11.4502 11.5127 11.6388 11.7495 11.8210 11.8413 11.9724 12.0232 12.0546 12.2422 12.2578 12.3346 12.4583 12.5425 12.5946 12.7705 12.7858 12.8981 12.9758 13.1961 13.2456 13.2636 13.4237 13.5654 13.6105 13.6623 13.7455 13.8979 13.9188 13.9775 14.1408 14.2868 14.2986 14.3372 14.4010 14.5298 14.6120 14.6934 14.8804 14.9129 14.9802 15.0664 15.0982 15.1437 15.2690 15.3512 15.4788 15.5240 15.5484 15.6181 15.7950 15.8893 15.9498 16.0752 16.1964 16.2054 16.3785 16.4884 16.5888 16.6887 16.8697 16.9478 17.0306 17.0836 17.2271 17.5195 17.6561 17.6848 17.8606 17.9452 18.0564 18.2002 18.2318 18.4644 18.5991 18.7786 18.8573 19.0337 19.1391 19.1891 19.3786 19.4368 19.7050 19.8216 19.9016 20.0725 20.1465 20.2190 20.4713 20.6443 20.7057 20.7204 20.8405 20.9143 21.0454 21.1407 21.2800 21.3238 21.4773 21.5555 21.7309 21.9488 22.1040 22.1251 22.2591 22.2766 22.3933 22.5142 22.6038 22.7131 22.8068 22.9838 23.0179 23.1848 23.3461 23.4453 23.5837 23.6596 23.8009 23.8739 24.0158 24.1326 24.2797 24.3681 24.4871 24.5924 24.7277 24.7586 25.0059 25.1662 25.2181 25.3941 25.4229 25.5473 25.5845 25.7279 25.8618 25.9753 26.0141 26.1218 26.2264 26.3853 26.5593 26.5999 26.7126 26.8599 26.9601 27.2029 27.2399 27.2452 27.3919 27.5674 28.0363 28.0964 28.3082 28.4973 28.5823 28.7358 28.8551 28.8984 29.1363 29.1785 29.2542 29.3813 29.5044 29.5731 29.6774 29.8415 29.9149 30.0425 30.1912 30.3887 30.5899 30.6725 30.7664 30.8288 30.9304 30.9842 31.1791 31.2530 31.4535 31.6280 31.7391 31.8884 32.0180 32.1311 32.2129 32.4176 32.4721 32.5520 32.7489 32.8146 32.8498 33.1509 33.3065 33.3891 33.5162 33.6560 33.7435 33.9373 34.0379 34.1980 34.2446 34.4350 34.5256 34.6108 34.8291 34.8517 35.0255 35.2752 35.3748 35.4200 35.6374 35.8079 35.8999 36.0668 36.1690 36.3444 36.4347 36.4716 36.7455 36.8861 36.9757 37.0816 37.3208 37.3485 37.4657 37.5956 37.7279 37.8492 37.8930 37.9967 38.2286 38.2689 38.3796 38.4106 38.5983 38.6826 38.8335 38.9605 39.0026 39.1740 39.2449 39.3080 39.5749 39.5989 39.7330 39.8265 39.9923 40.1859 40.2026 40.3277 40.3880 40.5116 40.6144 40.6878 40.7590 41.0549 41.2374 41.3990 41.4211 41.4931 41.6895 41.8378 41.9731 42.0092 42.2095 42.2936 42.3816 42.5051 42.6423 42.7933 42.9536 43.1000 43.2041 43.2828 43.4200 43.5527 43.7343 43.8418 44.0558 44.1372 44.2365 44.2723 44.4102 44.5471 44.6707 44.7745 44.8531 44.9055 45.1653 45.3458 45.3721 45.5623 45.6552 45.7405 45.8761 45.9590 46.1619 46.2343 46.4087 46.4670 46.4845 46.6136 46.7717 46.8822 47.0555 47.3176 47.4310 47.5395 47.5692 47.7073 47.9529 48.0681 48.1950 48.2637 48.3940 48.5322 48.6083 48.6937 48.8708 49.1135 49.1521 49.2683 49.4926 49.7358 49.9574 49.9794 50.1159 50.1878 50.3602 50.4858 50.6275 50.8047 50.8996 51.0457 51.1891 51.3245 51.4581 51.6029 51.9979 52.2078 52.3856 52.7103 52.8310 53.1271 53.1638 53.2747 53.4376 53.6261 53.7981 54.0481 54.2032 54.3840 54.5772 54.8424 54.9460 55.0511 55.2249 55.5354 55.7912 55.8753 55.9244 56.1317 56.5405 56.5637 56.9469 57.1386 57.2104 57.2935 57.5967 57.6168 57.9111 57.9266 58.2321 58.3576 58.6785 58.9992 59.1306 59.1626 59.4851 59.6591 59.8644 60.1007 60.1984 60.3038 60.6896 60.9637 61.1171 61.4751 61.6332 61.8187 62.0508 62.2760 62.4358 62.4849 62.9286 63.0432 63.3703 63.4871 63.5564 63.8796 64.1849 64.5151 64.5616 64.7149 65.0093 65.1463 65.2597 65.4455 65.7844 65.8901 66.0181 66.2513 66.4177 66.6180 66.6417 66.6690 66.7541 67.0237 67.3614 67.5978 67.7805 67.7960 68.0241 68.3015 68.4129 68.7225 68.7930 68.9729 69.1249 69.4848 69.6275 69.7569 69.9920 70.3397 70.4903 70.7944 71.2504 71.7466 72.0986 72.2343 72.5434 72.8862 73.2483 73.3990 73.4504 73.7672 73.9332 74.1008 74.6127 74.6913 75.0015 75.2158 75.2930 75.4929 75.6080 75.8749 75.9987 76.1314 76.2901 76.4079 76.6729 76.7012 76.9010 77.0656 77.2992 77.3620 77.6030 77.8677 77.9322 78.0990 78.1174 78.1600 78.3443 78.6107 78.6657 78.7073 78.9459 78.9960 79.1138 79.3099 79.3507 79.4270 79.6616 79.7565 79.8037 79.9212 79.9587 80.2832 80.4137 80.4449 80.6762 80.7223 80.9254 81.2147 81.2810 81.4995 81.5474 81.7382 81.8760 82.1068 82.3567 82.4221 82.5638 82.7067 82.7426 82.9167 83.0659 83.2119 83.4188 83.6163 83.7179 83.7949 83.8080 84.0959 84.2652 84.3642 84.4403 84.5473 84.6272 84.6959 84.8976 84.9609 85.1189 85.2836 85.3816 85.4988 85.5540 85.7056 85.7836 85.9064 85.9901 86.0721 86.1769 86.2703 86.3789 86.4791 86.5581 86.6567 86.7635 86.9525 86.9913 87.1420 87.2411 87.2949 87.4940 87.5441 87.6100 87.8845 87.9348 88.0382 88.1433 88.3850 88.5167 88.6260 88.6584 88.7985 88.9094 89.0235 89.1107 89.2246 89.2922 89.4681 89.5825 89.7453 89.7651 89.8709 89.9100 90.2036 90.2479 90.3621 90.4519 90.5264 90.6334 90.7378 91.0217 91.1046 91.3083 91.3883 91.5850 91.8379 91.9436 92.0112 92.2362 92.3486 92.4651 92.5325 92.7431 92.9158 92.9573 93.0015 93.1453 93.2183 93.3369 93.5101 93.6110 93.6485 93.7623 93.8622 93.9281 93.9926 94.0575 94.2234 94.2750 94.3779 94.5635 94.6576 94.7634 94.7933 94.9495 95.0011 95.0399 95.3090 95.3559 95.5163 95.6181 95.7382 95.8747 96.0322 96.0728 96.1754 96.3214 96.4406 96.6108 96.6864 96.8295 97.0823 97.2540 97.3208 97.4294 97.5547 97.6358 97.8208 97.8552 97.9267 98.2530 98.5330 98.5824 98.6925 98.8028 98.9697 99.1072 99.1975 99.2898 99.3534 99.4781 99.7857 99.9194 99.9333 100.0807 100.3618 100.3784 100.7164 100.7804 100.8939 100.9709 101.2693 101.4436 101.6377 101.7060 101.9220 102.0319 102.1692 102.3081 102.6156 102.7593 102.9458 103.0240 103.1927 103.3874 103.4407 103.7001 103.7599 103.9682 104.1894 104.3802 104.7529 104.8074 104.8710 104.9797 105.0610 105.2160 105.4282 105.5010 105.5699 105.6903 105.7508 105.8978 106.0827 106.0857 106.1178 106.2051 106.2945 106.3541 106.5531 106.6127 106.7201 106.8738 107.0569 107.0940 107.1669 107.2756 107.4725 107.5849 107.6416 107.8170 108.0208 108.1554 108.3652 108.4131 108.7580 108.8686 108.9789 109.1053 109.3678 109.5650 109.6969 109.8959 110.0004 110.1439 110.2987 110.3246 110.5599 110.7515 110.9067 111.1110 111.2468 111.3687 111.5401 111.6754 111.8731 112.0988 112.2391 112.5740 112.6466 112.8240 113.0154 113.2981 113.4198 113.6040 113.7469 113.9796 114.2151 114.2968 114.4149 114.5542 114.7735 114.8208 115.0233 115.2847 115.3140 115.4909 115.5343 115.7466 115.7812 115.9198 116.0583 116.2053 116.3360 116.4927 116.6775 116.7275 116.8541 117.0883 117.2214 117.3828 117.5024 117.6719 117.7525 117.8229 117.9575 118.0929 118.2158 118.2690 118.3787 118.4973 118.6281 118.8030 118.8090 118.9311 118.9935 119.2428 119.3220 119.3993 119.4745 119.5413 119.6388 119.9189 119.9928 120.0810 120.1966 120.3058 120.5432 120.5756 120.6664 120.8771 120.9829 121.0541 121.2079 121.3732 121.4658 121.5365 121.6465 121.8694 122.0907 122.2451 122.4742 122.6296 122.8071 123.0517 123.0698 123.7221 123.9685 124.2580 124.4947 124.6001 124.9829 125.0153 125.1909 125.5209 125.6815 125.7774 126.5096 126.7141 127.0650 127.1842 127.5589 127.8213 127.8789 128.2756 128.4473 128.7308 128.8131 129.0406 129.1358 129.3502 129.6404 129.8105 129.9193 130.1526 130.3053 130.5279 130.8004 130.8219 131.0648 131.1351 131.3136 131.4234 131.5421 131.6731 131.9350 131.9838 132.2276 132.3762 132.4402 132.6680 132.8025 132.8453 132.9622 133.1661 133.5417 133.5866 133.7276 133.9698 134.2183 134.6324 134.7819 135.1387 135.3699 135.4654 135.6280 135.9005 135.9442 136.4775 136.7528 137.1643 137.2407 137.3604 137.7009 137.9167 138.0196 138.2216 138.5768 138.6139 138.7506 138.9041 138.9762 139.0389 139.3969 139.9735 140.2753 140.6537 140.8502 141.3239 141.7434 142.1264 142.3331 142.5037 143.2799 144.0787 144.1548 144.4149 144.5700 144.7447 144.8376 144.9362 145.2960 145.6672 145.7607 145.8633 146.5038 146.5859 146.8876 146.9658 147.2125 147.5526 147.7291 147.7404 147.9483 148.3020 148.5443 148.6620 148.8342 149.0867 149.2969 149.6487 149.6892 149.8454 150.0188 150.3434 150.4693 150.8067 151.1961 151.4768 151.6636 151.8972 152.0966 152.5814 152.8827 153.1654 153.5264 154.1364 154.3523 154.5875 154.6230 154.7439 155.1416 155.6657 155.8988 156.5180 156.6978 156.9363 157.1823 157.6795 157.8041 158.3747 158.7485 159.3143 159.3801 159.6708 160.0130 160.2905 160.6626 160.8403 161.1584 161.3210 162.0712 162.7466 163.0392 164.1332 164.3537 164.8140 165.5920 165.8754 166.5093 167.3838 167.5408 169.3922 170.8471 172.0612 172.9917 174.3157 174.4619 175.2895 176.6340 176.9151 177.2262 179.8678 182.2411 184.1008 185.0703 185.3327 187.2487 187.7237 188.3551 188.3695 188.4189 188.5812 188.6669 189.5875 190.0279 190.0719 190.3875 191.3032 191.4490 192.5429 194.6584 196.0299 196.3200 196.8755 197.9094 200.1695 201.1748 201.2995 202.6243 203.1337 204.7711 206.3030 206.9818 207.5599 208.0813 210.9834 228.1644 230.0571 232.1301 232.6722 239.8262 241.8521 244.7380 245.3772 247.2588 248.0421 621.5121 622.0991 623.6369 624.6496 628.4418 631.2661 632.7063 633.7668 634.3745 634.5935 635.1193 635.7154 636.1756 636.8509 637.2106 637.7712 639.1192 641.9446 642.6674 648.1743 651.2081 657.5587 657.7066 658.5919 1210.4879 1210.9753 1215.7357 1558.2705 1560.4040 -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 -0.078604 -0.153009 -0.158964 -0.383795 -0.259888 -0.328915 0.384885 -0.084778 -0.065130 -0.343112 -0.375042 -0.178209 -0.251780 0.135543 -0.102934 -0.161434 0.129032 -0.021534 -0.194560 -0.264573 0.320823 -0.105397 -0.264578 0.444142 0.293070 -0.253203 -0.171528 -0.101708 -0.148234 -0.190543 0.109576 0.114832 0.107973 0.103749 0.103332 0.109109 0.103738 0.096283 0.142847 0.138047 0.114242 0.063386 0.152139 0.172703 0.105724 0.136333 0.155087 0.142746 0.144262 0.149279 0.157150 0.156319 0.155102 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 35.0786 9.1530 9.1590 8.3838 8.2599 8.3289 5.6151 6.0848 6.0651 6.3431 6.3750 6.1782 6.2518 5.8645 6.1029 6.1614 5.8710 6.0215 6.1946 6.2646 5.6792 6.1054 6.2646 5.5559 5.7069 6.2532 6.1715 6.1017 6.1482 6.1905 0.8904 0.8852 0.8920 0.8963 0.8967 0.8909 0.8963 0.9037 0.8572 0.8620 0.8858 0.9366 0.8479 0.8273 0.8943 0.8637 0.8449 0.8573 0.8557 0.8507 0.8428 0.8437 0.8449 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 -0.0786 -0.1530 -0.1590 -0.3838 -0.2599 -0.3289 0.3849 -0.0848 -0.0651 -0.3431 -0.3750 -0.1782 -0.2518 0.1355 -0.1029 -0.1614 0.1290 -0.0215 -0.1946 -0.2646 0.3208 -0.1054 -0.2646 0.4441 0.2931 -0.2532 -0.1715 -0.1017 -0.1482 -0.1905 0.1096 0.1148 0.1080 0.1037 0.1033 0.1091 0.1037 0.0963 0.1428 0.1380 0.1142 0.0634 0.1521 0.1727 0.1057 0.1363 0.1551 0.1427 0.1443 0.1493 0.1572 0.1563 0.1551 1.1712 1.1405 1.1308 1.9357 2.1108 2.0882 3.5645 3.9573 3.5999 3.9308 3.9282 3.9459 4.0277 3.8685 3.9474 3.8977 3.8554 3.6407 3.8680 3.9879 3.6953 3.9022 3.9957 4.5341 3.6529 3.9808 3.9246 3.8223 3.8360 3.8525 0.9899 1.0076 1.0019 1.0043 1.0005 0.9994 1.0056 1.0134 1.0011 1.0085 0.9907 0.9914 1.0125 0.9965 1.0197 1.0137 0.9889 1.0101 1.0074 1.0009 0.9897 0.9939 0.9967 1.1712 1.1405 1.1308 1.9357 2.1108 2.0882 3.5645 3.9573 3.5999 3.9308 3.9282 3.9459 4.0277 3.8685 3.9474 3.8977 3.8554 3.6407 3.8680 3.9879 3.6953 3.9022 3.9957 4.5341 3.6529 3.9808 3.9246 3.8223 3.8360 3.8525 0.9899 1.0076 1.0019 1.0043 1.0005 0.9994 1.0056 1.0134 1.0011 1.0085 0.9907 0.9914 1.0125 0.9965 1.0197 1.0137 0.9889 1.0101 1.0074 1.0009 0.9897 0.9939 0.9967 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 1.0516 1.1385 1.1042 0.9076 0.9688 0.9146 1.1656 1.0041 0.8912 0.9117 0.8904 0.9218 0.8867 1.0045 0.9933 1.3445 1.2967 0.9910 0.9879 0.9806 1.0003 0.9914 0.9958 1.4690 0.9754 1.5027 1.0023 0.8942 0.9712 1.0117 1.3985 0.9616 1.3634 0.9700 1.3610 1.3813 1.3397 0.9688 1.4423 0.9950 1.3606 1.4383 0.9858 0.9891 1.3776 1.3574 1.3851 1.0003 1.3992 0.9890 1.3885 0.9911 1.3713 0.9846 0.9935 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 -0.035421648 -3928.146276875274 -58.37506 57.66369 -0.71137 22.69100 -22.87608 -0.18508 -36.01498 35.34936 -0.66562 0.99164 2.52055