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:2.2912,-3.8839,-1.4387;3.4232,-2.2174,.3292;3.9544,-1.7887,-1.7053;-3.6333,1.1572,.526;2.03,-1.1479,-1.0422;.5358,3.9217,-.0397;-3.339,-1.1963,.8962;-4.185,-.1069,.2391;-1.8988,-1.1705,.3944;-3.9602,-2.5447,.5156;-3.4046,-1.0252,2.4184;-1.5438,-.6093,-.8325;-.8805,-1.7684,1.1349;-4.0547,2.194,-.3277;-.2359,-.6291,-1.2889;.4365,-1.8013,.6985;.7466,-1.2272,-.522;-3.0864,3.3377,-.213;-1.7199,3.0769,-.1757;-3.5349,4.6524,-.1662;-.8206,4.1251,-.0595;-2.6224,5.6957,-.0848;-1.2615,5.4407,-.0165;2.9378,-2.1143,-.9159;1.0814,2.861,.6378;2.2733,2.356,.1349;.5334,2.3443,1.8069;2.9239,1.333,.8095;1.1872,1.3091,2.4598;2.3818,.7988,1.9698;-4.2469,-.2658,-.8456;-5.2125,-.1812,.6202;-3.408,-3.3682,.9702;-4.9947,-2.6077,.8603;-3.9551,-2.696,-.5653;-2.8727,-.1362,2.7582;-2.9844,-1.8826,2.9438;-4.4449,-.9374,2.7369;-2.2828,-.1429,-1.4695;-1.0972,-2.2251,2.0912;-4.0838,1.8425,-1.3684;-5.0693,2.5314,-.0815;.0153,-.1819,-2.242;1.1825,-2.2578,1.3328;-1.3596,2.0576,-.2359;-4.597,4.8621,-.1896;-2.974,6.7184,-.0507;-.5489,6.2511,.0686;2.6925,2.7694,-.7737;-.3871,2.7388,2.2167;3.8544,.9465,.4145;.7551,.9043,3.3656;2.8835,-.0072,2.4883; 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 3585.5871285949 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 4.675e-06 Time for diagonalization 0.403 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.365 sec Total time needed 0.776 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:2.2912,-3.8839,-1.4387;3.4232,-2.2174,.3292;3.9544,-1.7887,-1.7053;-3.6333,1.1572,.526;2.03,-1.1479,-1.0422;.5358,3.9217,-.0397;-3.339,-1.1963,.8962;-4.185,-.1069,.2391;-1.8988,-1.1705,.3944;-3.9602,-2.5447,.5156;-3.4046,-1.0252,2.4184;-1.5438,-.6093,-.8325;-.8805,-1.7684,1.1349;-4.0547,2.194,-.3277;-.2359,-.6291,-1.2889;.4365,-1.8013,.6985;.7466,-1.2272,-.522;-3.0864,3.3377,-.213;-1.7199,3.0769,-.1757;-3.5349,4.6524,-.1662;-.8206,4.1251,-.0595;-2.6224,5.6957,-.0848;-1.2615,5.4407,-.0165;2.9378,-2.1143,-.9159;1.0814,2.861,.6378;2.2733,2.356,.1349;.5334,2.3443,1.8069;2.9239,1.333,.8095;1.1872,1.3091,2.4598;2.3818,.7988,1.9698;-4.2469,-.2658,-.8456;-5.2125,-.1812,.6202;-3.408,-3.3682,.9702;-4.9947,-2.6077,.8603;-3.9551,-2.696,-.5653;-2.8727,-.1362,2.7582;-2.9844,-1.8826,2.9438;-4.4449,-.9374,2.7369;-2.2828,-.1429,-1.4695;-1.0972,-2.2251,2.0912;-4.0838,1.8425,-1.3684;-5.0693,2.5314,-.0815;.0153,-.1819,-2.242;1.1825,-2.2578,1.3328;-1.3596,2.0576,-.2359;-4.597,4.8621,-.1896;-2.974,6.7184,-.0507;-.5489,6.2511,.0686;2.6925,2.7694,-.7737;-.3871,2.7388,2.2167;3.8544,.9465,.4145;.7551,.9043,3.3656;2.8835,-.0072,2.4883; 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:2.2912,-3.8839,-1.4387;3.4232,-2.2174,.3292;3.9544,-1.7887,-1.7053;-3.6333,1.1572,.526;2.03,-1.1479,-1.0422;.5358,3.9217,-.0397;-3.339,-1.1963,.8962;-4.185,-.1069,.2391;-1.8988,-1.1705,.3944;-3.9602,-2.5447,.5156;-3.4046,-1.0252,2.4184;-1.5438,-.6093,-.8325;-.8805,-1.7684,1.1349;-4.0547,2.194,-.3277;-.2359,-.6291,-1.2889;.4365,-1.8013,.6985;.7466,-1.2272,-.522;-3.0864,3.3377,-.213;-1.7199,3.0769,-.1757;-3.5349,4.6524,-.1662;-.8206,4.1251,-.0595;-2.6224,5.6957,-.0848;-1.2615,5.4407,-.0165;2.9378,-2.1143,-.9159;1.0814,2.861,.6378;2.2733,2.356,.1349;.5334,2.3443,1.8069;2.9239,1.333,.8095;1.1872,1.3091,2.4598;2.3818,.7988,1.9698;-4.2469,-.2658,-.8456;-5.2125,-.1812,.6202;-3.408,-3.3682,.9702;-4.9947,-2.6077,.8603;-3.9551,-2.696,-.5653;-2.8727,-.1362,2.7582;-2.9844,-1.8826,2.9438;-4.4449,-.9374,2.7369;-2.2828,-.1429,-1.4695;-1.0972,-2.2251,2.0912;-4.0838,1.8425,-1.3684;-5.0693,2.5314,-.0815;.0153,-.1819,-2.242;1.1825,-2.2578,1.3328;-1.3596,2.0576,-.2359;-4.597,4.8621,-.1896;-2.974,6.7184,-.0507;-.5489,6.2511,.0686;2.6925,2.7694,-.7737;-.3871,2.7388,2.2167;3.8544,.9465,.4145;.7551,.9043,3.3656;2.8835,-.0072,2.4883; 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 2984 GEPOL Volume 3227.6633 GEPOL Surface-area 1686.8384 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -3928.09866115 3585.58712859 -7513.68578974 -12568.92657354 5055.24078380 -0.02899972 -7846.88217042 3918.78350927 2.00237705 122.000196690296 122.000196690296 244.000393380592 -198.383595916089 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 -13141.5932 -1704.1407 -1535.4755 -1535.3958 -1535.3919 -675.7898 -675.6993 -525.4276 -524.6060 -523.5603 -287.3930 -281.7710 -281.5480 -281.5171 -280.8868 -280.6497 -280.0893 -280.0606 -280.0089 -279.9453 -279.8700 -279.8014 -279.7981 -279.7847 -279.7845 -279.7644 -279.7232 -279.6840 -279.6737 -279.6729 -279.6052 -279.5656 -279.1499 -279.0652 -240.1713 -181.0180 -180.7033 -180.7011 -75.2137 -75.1269 -75.1250 -74.8653 -74.8650 -39.0814 -37.0443 -33.7468 -32.8661 -31.6339 -27.0851 -26.9221 -26.5372 -25.7395 -25.3420 -24.4412 -23.9857 -23.8368 -23.7752 -23.6096 -23.0506 -22.2067 -21.9540 -21.7160 -20.7932 -20.4559 -20.4044 -19.9831 -19.7205 -19.2443 -19.1515 -18.7596 -18.6983 -18.3406 -18.1013 -17.7279 -16.8037 -16.6486 -16.3827 -16.2412 -16.0088 -15.9827 -15.8399 -15.6375 -15.5868 -15.4084 -15.2343 -15.0082 -14.8880 -14.7674 -14.6817 -14.5124 -14.2461 -14.2216 -14.0009 -13.8882 -13.7827 -13.7507 -13.5850 -13.4523 -13.1614 -13.0437 -12.8904 -12.7043 -12.5246 -12.4354 -12.3596 -12.2397 -12.1020 -11.9943 -11.7466 -11.6293 -11.5116 -11.3240 -11.0269 -10.9777 -10.9341 -9.9076 -9.6033 -9.4995 -9.2602 -9.1214 -8.8958 -8.3488 1.1272 1.3792 1.3947 1.6678 1.8393 2.0003 2.2286 3.1894 3.6366 3.8242 3.9152 4.0175 4.2509 4.3012 4.5499 4.6107 4.6899 4.8327 4.9340 5.0749 5.1691 5.3423 5.3729 5.4942 5.5371 5.6116 5.7429 5.8346 5.9566 6.0185 6.1704 6.2542 6.3260 6.4010 6.4461 6.5429 6.6332 6.7723 6.8108 6.9439 6.9928 7.0749 7.1696 7.3452 7.5677 7.6167 7.7874 7.8393 7.8620 8.0072 8.0236 8.1018 8.1650 8.2125 8.3409 8.4260 8.5085 8.5599 8.7000 8.7912 8.9278 8.9540 9.0618 9.1356 9.2580 9.3982 9.4707 9.5114 9.5500 9.7136 9.8490 9.9337 9.9764 10.1901 10.2083 10.3429 10.4971 10.5797 10.7628 10.8165 10.8457 10.9875 11.1118 11.1822 11.3000 11.3455 11.3899 11.4529 11.5436 11.6953 11.8052 11.8761 12.0458 12.0602 12.1401 12.2809 12.4065 12.4906 12.5478 12.7494 12.7814 12.8913 12.9930 13.0296 13.1089 13.3072 13.3649 13.4588 13.5545 13.5829 13.7078 13.8084 13.9798 13.9968 14.0574 14.0649 14.1278 14.2664 14.3589 14.4153 14.5610 14.6018 14.7194 14.7765 14.9168 14.9733 15.0350 15.1052 15.2173 15.3227 15.3771 15.4355 15.5307 15.5497 15.7361 15.7803 15.8883 15.9841 16.0088 16.1756 16.1950 16.3660 16.4954 16.5760 16.6748 16.7405 16.7988 17.0400 17.0701 17.0859 17.2865 17.3880 17.5556 17.5875 17.8978 17.9512 18.0219 18.2625 18.3967 18.5426 18.7040 18.7888 18.9016 19.1892 19.2447 19.3185 19.3431 19.4726 19.6304 19.7273 19.8466 19.9795 20.1006 20.3186 20.4392 20.6932 20.7296 20.7856 20.8336 20.8827 21.0367 21.2098 21.2635 21.3880 21.5632 21.6867 21.7557 21.7698 21.9094 22.0637 22.1876 22.2524 22.4396 22.5437 22.5810 22.7268 22.8848 23.1137 23.1348 23.2919 23.4461 23.5790 23.7270 23.8161 23.9119 24.0629 24.2333 24.2885 24.5358 24.5554 24.6825 24.7414 24.8807 25.0450 25.3054 25.3093 25.4383 25.4715 25.5516 25.6308 25.9261 26.0123 26.0633 26.2054 26.3686 26.4332 26.5299 26.5822 26.8300 26.9812 27.0292 27.1093 27.2285 27.2977 27.4963 27.6361 27.7620 27.9583 28.2448 28.2958 28.3940 28.4216 28.5926 28.7978 28.8625 29.0078 29.1780 29.2875 29.4035 29.4483 29.6518 29.7082 29.8696 29.9359 30.0381 30.2180 30.2580 30.3820 30.5558 30.7162 30.8439 30.8985 31.0106 31.2171 31.3316 31.5295 31.6831 31.8019 31.8792 31.9906 32.1970 32.3006 32.4444 32.6865 32.8035 32.8616 32.9864 33.0598 33.1436 33.1896 33.5409 33.5887 33.7851 33.7890 34.0295 34.1380 34.1671 34.2472 34.2615 34.3859 34.5901 34.8221 34.9139 35.0881 35.2036 35.2716 35.4635 35.6953 35.7706 35.9520 36.0649 36.1548 36.2576 36.3927 36.4801 36.7329 36.8631 36.9676 37.0613 37.1772 37.4541 37.5742 37.7339 37.8577 37.9201 38.0053 38.0751 38.1377 38.2874 38.3665 38.5265 38.5789 38.7986 38.8728 38.8877 39.0631 39.2788 39.3686 39.5793 39.5989 39.7333 39.8420 40.0558 40.0991 40.1204 40.1566 40.3461 40.4497 40.6360 40.6719 40.7480 40.8194 40.9105 41.0701 41.1728 41.3217 41.3795 41.5368 41.5821 41.6219 41.7477 42.0023 42.1328 42.2433 42.2872 42.5961 42.6277 42.9316 43.0173 43.1443 43.1986 43.3219 43.4074 43.5481 43.6982 43.7965 43.9306 44.0550 44.2152 44.3833 44.4966 44.5251 44.6342 44.7038 44.7981 44.9686 45.0391 45.2559 45.3214 45.5053 45.6208 45.8237 45.9093 46.0739 46.1426 46.1926 46.3120 46.4503 46.5389 46.6685 46.8219 47.0002 47.0260 47.1061 47.3597 47.4403 47.6463 47.7339 47.9363 48.0265 48.1073 48.2501 48.3217 48.5082 48.5856 48.6794 48.8328 48.8843 48.9552 49.1313 49.2776 49.5567 49.6372 49.8103 49.9006 49.9960 50.1147 50.5903 50.6651 50.8898 51.0074 51.2705 51.6089 51.6957 51.7648 51.9756 52.1287 52.3995 52.6156 52.6782 52.7606 52.8639 53.2445 53.4224 53.7400 53.7832 54.0251 54.1392 54.1886 54.2111 54.5799 54.8373 55.0105 55.2779 55.6225 55.7689 55.8878 56.1548 56.3922 56.5596 56.6715 56.7968 56.9756 57.0804 57.4367 57.5619 57.5672 57.8812 57.9606 58.1206 58.2431 58.5340 58.7853 58.9906 59.1356 59.2333 59.6325 59.9918 60.0113 60.2735 60.4643 60.6296 60.8267 60.8403 61.0371 61.3399 61.5980 61.8190 61.9878 62.2427 62.4931 62.6900 62.8118 63.3729 63.4638 63.7553 63.7703 64.0006 64.2483 64.4509 64.6591 64.8069 65.2490 65.3988 65.5126 65.7045 65.7595 65.9285 66.1021 66.2373 66.4126 66.5828 66.6985 66.9223 66.9668 67.2692 67.3274 67.6406 67.7081 67.9861 68.2503 68.3601 68.5122 68.7414 68.9525 69.1069 69.4608 69.5552 70.1264 70.1964 70.3661 70.7225 70.9836 71.4437 71.8704 72.0653 72.1898 72.4187 72.6885 73.0879 73.2076 73.5669 74.0730 74.1504 74.2219 74.3297 74.5615 74.8283 75.1271 75.2075 75.3622 75.6453 75.8062 75.9214 76.1293 76.1710 76.4804 76.5398 76.7230 76.7428 76.8824 77.1547 77.2611 77.3769 77.5983 77.6909 77.7967 77.9841 78.1850 78.2298 78.2896 78.5126 78.7219 78.8761 78.9036 78.9583 79.2244 79.2857 79.3400 79.4281 79.6107 79.6890 79.9348 79.9858 80.3005 80.3721 80.6566 80.7358 80.9333 81.0081 81.2189 81.3107 81.4365 81.6996 82.0210 82.0533 82.1446 82.3763 82.4644 82.6727 82.8085 82.8957 83.0429 83.1563 83.1683 83.2566 83.4088 83.5403 83.7522 83.8711 83.9850 84.0961 84.3368 84.4327 84.6624 84.8231 84.8591 84.9160 85.0710 85.1181 85.2902 85.3922 85.4236 85.5625 85.6623 85.8346 85.9185 86.0297 86.0507 86.2869 86.3478 86.4438 86.5409 86.5917 86.7502 86.8973 87.0351 87.1270 87.3667 87.4277 87.4434 87.6029 87.6520 87.7936 87.9170 88.0026 88.0380 88.1271 88.1630 88.4544 88.5902 88.7937 88.8456 88.8657 88.9004 89.1607 89.2857 89.3391 89.4645 89.5428 89.6602 89.7457 89.8810 90.1043 90.1265 90.1839 90.2890 90.5238 90.7190 90.8404 90.9233 91.0403 91.1933 91.2529 91.4857 91.5537 91.7355 91.8788 92.0279 92.2100 92.2359 92.2816 92.4297 92.6035 92.7589 92.8155 92.8848 93.0330 93.1445 93.2190 93.2344 93.4837 93.5761 93.6325 93.6603 93.7860 93.8627 94.0740 94.2172 94.2448 94.2993 94.3569 94.5342 94.6975 94.8538 94.9852 95.0327 95.1399 95.2486 95.3979 95.4611 95.7090 95.8944 95.9058 95.9986 96.2642 96.2846 96.3611 96.4819 96.6508 96.7386 96.9009 97.0081 97.0173 97.1549 97.2418 97.4086 97.5455 97.6828 97.9549 98.0617 98.0880 98.4212 98.4728 98.7182 98.8509 98.9391 99.0191 99.0839 99.2231 99.4157 99.6629 99.7594 99.8742 99.9107 100.2052 100.2855 100.4598 100.5936 100.6644 100.9570 101.2505 101.2563 101.3852 101.5406 101.6938 101.8374 101.9118 102.0870 102.3987 102.5773 102.6646 102.8389 102.9406 103.1103 103.1503 103.3909 103.5961 103.8597 104.0214 104.2050 104.3276 104.3783 104.7524 104.8442 104.9642 105.0673 105.2174 105.3994 105.5018 105.5040 105.5916 105.6771 105.7882 105.8259 105.9781 106.1076 106.1938 106.2321 106.4433 106.4770 106.6426 106.7044 106.8358 107.0255 107.1760 107.3896 107.5477 107.6563 107.7462 107.9235 108.0419 108.0620 108.2970 108.4613 108.5298 108.6730 108.8883 109.1039 109.3659 109.5124 109.6348 109.6974 109.8231 109.9558 110.2112 110.2942 110.5953 110.7118 110.7986 111.2266 111.2593 111.3838 111.4147 111.6800 111.9308 112.0379 112.3018 112.4446 112.6323 112.8477 113.0630 113.2146 113.2729 113.4957 113.6968 113.7448 113.8560 114.1058 114.3504 114.4229 114.5267 114.6183 114.6816 114.8998 115.1328 115.3823 115.4281 115.4851 115.5884 115.8306 115.9089 116.1535 116.2174 116.4807 116.5644 116.6341 116.7189 116.9347 117.0598 117.1853 117.2761 117.4001 117.5294 117.5825 117.6447 117.8367 117.9954 118.1153 118.1853 118.4156 118.5146 118.5571 118.7332 118.7770 118.9631 119.0826 119.2247 119.2957 119.4084 119.4800 119.7271 119.7540 119.8302 119.8984 120.1884 120.3518 120.4114 120.5790 120.6791 120.8932 120.9606 121.0000 121.2028 121.3405 121.4530 121.5927 121.7565 121.8236 122.0581 122.2179 122.2599 122.4918 122.6457 122.8862 122.9603 123.1694 123.4183 123.7278 123.9531 124.0911 124.5787 124.8288 125.0873 125.2274 125.4697 126.0456 126.0697 126.3822 126.6300 126.8588 126.9910 127.2085 127.6688 127.7753 127.9040 128.1051 128.4759 128.8654 128.9877 129.2249 129.3590 129.6380 129.7435 129.7744 130.0797 130.2076 130.3079 130.4512 130.5487 130.7674 131.0236 131.2395 131.3362 131.4727 131.6499 131.9064 131.9591 132.1584 132.2837 132.3720 132.5092 132.8023 133.0350 133.1224 133.3064 133.4887 133.5601 133.8718 133.9464 133.9817 134.3986 134.6697 134.9792 135.1631 135.2701 135.4173 135.6223 136.0343 136.2381 136.4029 136.7939 137.0042 137.3500 137.5587 137.7973 138.1876 138.2000 138.4335 138.4798 138.6573 138.9094 139.0940 139.2923 139.7119 140.0693 140.2934 140.4182 140.5956 140.8747 141.5279 141.8800 142.2271 142.6370 143.5225 144.0241 144.2735 144.4423 144.6337 144.7359 144.8564 144.9860 145.2055 145.5570 145.6938 145.9395 146.1327 146.4262 146.7825 147.0727 147.2424 147.6634 147.7365 148.0413 148.1892 148.3789 148.4102 148.7586 148.9264 148.9450 149.2671 149.5363 149.6218 149.8218 149.9899 150.5767 150.8440 150.9648 151.2802 151.4416 151.4583 152.1410 152.2572 152.4241 152.7568 152.8540 153.1556 153.4523 154.2039 154.6744 154.9350 155.1993 155.5343 155.7070 156.1793 156.4673 156.6980 157.1293 157.2307 157.2630 157.4615 157.7119 158.2776 158.4440 158.8024 159.2885 159.7379 159.9853 160.1897 160.7047 161.3248 161.7213 162.1491 162.4676 163.1148 163.5120 164.0104 164.7118 165.8214 166.1040 166.9332 167.2518 169.5547 170.2033 170.9721 172.2407 172.8534 173.1957 174.5752 174.6982 174.8850 176.2278 177.0373 178.3089 180.7128 183.9193 185.3437 185.5984 187.2591 187.6549 188.3192 188.3558 188.5677 188.6499 188.8138 189.2296 189.4878 190.0034 191.1906 191.6165 192.2394 192.4592 194.6144 195.0228 195.9506 196.1000 197.8551 200.1451 201.3042 202.3869 203.6303 204.8571 205.3475 206.4243 206.8425 206.9844 208.2155 209.6665 228.2015 230.0089 232.1456 232.7542 239.7779 241.9535 244.8419 245.3217 247.3146 247.8684 618.6303 621.9178 623.9786 624.8861 628.5361 631.3484 632.5008 633.1074 634.1850 634.7869 635.1728 635.8916 636.1070 636.8591 637.6033 637.7021 639.3457 640.0923 643.3212 647.6118 651.5346 657.2714 657.5682 658.5632 1212.1801 1213.2200 1214.9739 1557.6321 1560.7592 -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 -0.073974 -0.161668 -0.152021 -0.384125 -0.268100 -0.337002 0.365912 -0.062601 -0.069711 -0.330738 -0.366095 -0.180192 -0.192398 0.069341 -0.170084 -0.150341 0.165295 0.000007 -0.169969 -0.224588 0.271400 -0.115694 -0.255579 0.434277 0.307780 -0.241383 -0.193040 -0.135350 -0.179601 -0.163698 0.107622 0.107467 0.103667 0.104385 0.103469 0.104211 0.101517 0.101610 0.151129 0.146847 0.098242 0.098504 0.147010 0.153851 0.113830 0.142645 0.159979 0.146685 0.145275 0.156405 0.152628 0.160472 0.156492 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 35.0740 9.1617 9.1520 8.3841 8.2681 8.3370 5.6341 6.0626 6.0697 6.3307 6.3661 6.1802 6.1924 5.9307 6.1701 6.1503 5.8347 6.0000 6.1700 6.2246 5.7286 6.1157 6.2556 5.5657 5.6922 6.2414 6.1930 6.1353 6.1796 6.1637 0.8924 0.8925 0.8963 0.8956 0.8965 0.8958 0.8985 0.8984 0.8489 0.8532 0.9018 0.9015 0.8530 0.8461 0.8862 0.8574 0.8400 0.8533 0.8547 0.8436 0.8474 0.8395 0.8435 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 -0.0740 -0.1617 -0.1520 -0.3841 -0.2681 -0.3370 0.3659 -0.0626 -0.0697 -0.3307 -0.3661 -0.1802 -0.1924 0.0693 -0.1701 -0.1503 0.1653 0.0000 -0.1700 -0.2246 0.2714 -0.1157 -0.2556 0.4343 0.3078 -0.2414 -0.1930 -0.1353 -0.1796 -0.1637 0.1076 0.1075 0.1037 0.1044 0.1035 0.1042 0.1015 0.1016 0.1511 0.1468 0.0982 0.0985 0.1470 0.1539 0.1138 0.1426 0.1600 0.1467 0.1453 0.1564 0.1526 0.1605 0.1565 1.1834 1.1271 1.1435 1.9287 2.0743 2.0757 3.5306 3.9198 3.6465 3.9183 3.9285 3.9048 3.9758 3.8854 3.9863 3.9269 3.6663 3.7041 3.8566 3.9537 3.7346 3.8910 3.9994 4.5626 3.6672 3.9645 3.8439 3.8331 3.8511 3.7983 0.9921 1.0031 1.0028 1.0036 1.0039 1.0099 1.0031 1.0040 0.9926 0.9995 0.9901 0.9972 1.0067 1.0127 1.0363 1.0056 0.9881 1.0072 1.0086 0.9969 0.9979 0.9915 0.9940 1.1834 1.1271 1.1435 1.9287 2.0743 2.0757 3.5306 3.9198 3.6465 3.9183 3.9285 3.9048 3.9758 3.8854 3.9863 3.9269 3.6663 3.7041 3.8566 3.9537 3.7346 3.8910 3.9994 4.5626 3.6672 3.9645 3.8439 3.8331 3.8511 3.7983 0.9921 1.0031 1.0028 1.0036 1.0039 1.0099 1.0031 1.0040 0.9926 0.9995 0.9901 0.9972 1.0067 1.0127 1.0363 1.0056 0.9881 1.0072 1.0086 0.9969 0.9979 0.9915 0.9940 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 1.0766 1.0917 1.1474 0.9638 0.9811 0.8275 1.1771 0.9431 0.9413 0.9012 0.9275 0.9127 0.8907 1.0092 0.9881 1.2864 1.3348 0.9891 0.9904 0.9874 1.0011 0.9879 0.9909 1.4489 0.9976 1.4894 0.9841 0.9543 0.9811 0.9704 1.3941 1.0062 1.3288 0.9739 1.3516 1.3906 1.3940 0.9550 1.4365 0.9857 1.3793 1.4298 0.9829 0.9856 1.3757 1.3323 1.4147 0.9951 1.3960 0.9822 1.3557 0.9944 1.3693 0.9902 1.0023 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 -0.033908500 -3928.132569645424 -68.54679 66.22466 -2.32213 53.75092 -54.20548 -0.45456 29.19219 -29.04603 0.14616 2.37071 6.02587