Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 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 53 54 55 56 Cl F F F O O O N N C C 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 1 2 2 2 3 3 3 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 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:-.4295,1.9623,-2.6397;-4.2389,1.4503,.8091;-3.3467,.4502,2.4953;-3.4823,2.5911,2.4658;3.2552,-.5039,.884;3.6741,-.4245,-1.3081;-1.561,-1.9743,.4535;1.866,1.8771,-.7656;3.4563,-2.7225,3.3177;4.2468,2.4616,-.8246;3.1491,1.631,-.1513;3.9217,3.9467,-.7203;5.6014,2.1637,-.1917;3.42,.1364,-.277;.6539,1.7533,-.1577;3.2688,-1.9286,.8367;-.5312,1.8054,-.913;.4992,1.6076,1.2308;2.0126,-2.485,.2083;-1.9024,1.5918,1.0374;-1.7819,1.7305,-.3365;-.7485,1.5304,1.8118;.7767,-1.9798,.5937;2.0985,-3.4814,-.7515;-3.238,1.5195,1.6915;-.3751,-2.4801,.0101;3.3731,-2.3535,2.2333;.9337,-3.9885,-1.3115;-.3057,-3.4968,-.9371;-2.5669,-1.6831,-.4268;-2.3269,-1.2152,-1.713;-3.8639,-1.8103,.0499;-3.403,-.873,-2.5195;-4.9283,-1.4524,-.7636;-4.7054,-.9855,-2.0518;4.2863,2.184,-1.8837;3.1145,1.9132,.9016;3.8443,4.2617,.3229;2.9856,4.2023,-1.216;4.7098,4.5397,-1.1865;6.3792,2.7658,-.6625;5.9006,1.1197,-.3004;5.6004,2.4029,.8741;1.8738,1.851,-1.775;4.1551,-2.2972,.3104;1.3656,1.5468,1.8734;-2.6526,1.7805,-.9753;-.8075,1.4165,2.887;.6967,-1.2027,1.3444;3.0639,-3.8629,-1.0584;.9908,-4.775,-2.0524;-1.2061,-3.9033,-1.3802;-1.3177,-1.1002,-2.087;-4.0359,-2.1763,1.0543;-3.2151,-.5051,-3.5201;-5.9383,-1.5436,-.3851;-5.5386,-.7093,-2.6844; 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 1959 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 260 Dim 1404 ENuc 4126.8924792795 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 4.417e-06 Time for diagonalization 0.453 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.424 sec Total time needed 0.888 sec 17 9 9 9 8 8 8 7 7 6 6 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 1 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:-.4295,1.9623,-2.6397;-4.2389,1.4503,.8091;-3.3467,.4502,2.4953;-3.4823,2.5911,2.4658;3.2552,-.5039,.884;3.6741,-.4245,-1.3081;-1.561,-1.9743,.4535;1.866,1.8771,-.7656;3.4563,-2.7225,3.3177;4.2468,2.4616,-.8246;3.1491,1.631,-.1513;3.9217,3.9467,-.7203;5.6014,2.1637,-.1917;3.42,.1364,-.277;.6539,1.7533,-.1577;3.2688,-1.9286,.8367;-.5312,1.8054,-.913;.4992,1.6076,1.2308;2.0126,-2.485,.2083;-1.9024,1.5918,1.0374;-1.7819,1.7305,-.3365;-.7485,1.5304,1.8118;.7767,-1.9798,.5937;2.0985,-3.4814,-.7515;-3.238,1.5195,1.6915;-.3751,-2.4801,.0101;3.3731,-2.3535,2.2333;.9337,-3.9885,-1.3115;-.3057,-3.4968,-.9371;-2.5669,-1.6831,-.4268;-2.3269,-1.2152,-1.713;-3.8639,-1.8103,.0499;-3.403,-.873,-2.5195;-4.9283,-1.4524,-.7636;-4.7054,-.9855,-2.0518;4.2863,2.184,-1.8837;3.1145,1.9132,.9016;3.8443,4.2617,.3229;2.9856,4.2023,-1.216;4.7098,4.5397,-1.1865;6.3792,2.7658,-.6625;5.9006,1.1197,-.3004;5.6004,2.4029,.8741;1.8738,1.851,-1.775;4.1551,-2.2972,.3104;1.3656,1.5468,1.8734;-2.6526,1.7805,-.9753;-.8075,1.4165,2.887;.6967,-1.2027,1.3444;3.0639,-3.8629,-1.0584;.9908,-4.775,-2.0524;-1.2061,-3.9033,-1.3802;-1.3177,-1.1002,-2.087;-4.0359,-2.1763,1.0543;-3.2151,-.5051,-3.5201;-5.9383,-1.5436,-.3851;-5.5386,-.7093,-2.6844; 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" 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:-.4295,1.9623,-2.6397;-4.2389,1.4503,.8091;-3.3467,.4502,2.4953;-3.4823,2.5911,2.4658;3.2552,-.5039,.884;3.6741,-.4245,-1.3081;-1.561,-1.9743,.4535;1.866,1.8771,-.7656;3.4563,-2.7225,3.3177;4.2468,2.4616,-.8246;3.1491,1.631,-.1513;3.9217,3.9467,-.7203;5.6014,2.1637,-.1917;3.42,.1364,-.277;.6539,1.7533,-.1577;3.2688,-1.9286,.8367;-.5312,1.8054,-.913;.4992,1.6076,1.2308;2.0126,-2.485,.2083;-1.9024,1.5918,1.0374;-1.7819,1.7305,-.3365;-.7485,1.5304,1.8118;.7767,-1.9798,.5937;2.0985,-3.4814,-.7515;-3.238,1.5195,1.6915;-.3751,-2.4801,.0101;3.3731,-2.3535,2.2333;.9337,-3.9885,-1.3115;-.3057,-3.4968,-.9371;-2.5669,-1.6831,-.4268;-2.3269,-1.2152,-1.713;-3.8639,-1.8103,.0499;-3.403,-.873,-2.5195;-4.9283,-1.4524,-.7636;-4.7054,-.9855,-2.0518;4.2863,2.184,-1.8837;3.1145,1.9132,.9016;3.8443,4.2617,.3229;2.9856,4.2023,-1.216;4.7098,4.5397,-1.1865;6.3792,2.7658,-.6625;5.9006,1.1197,-.3004;5.6004,2.4029,.8741;1.8738,1.851,-1.775;4.1551,-2.2972,.3104;1.3656,1.5468,1.8734;-2.6526,1.7805,-.9753;-.8075,1.4165,2.887;.6967,-1.2027,1.3444;3.0639,-3.8629,-1.0584;.9908,-4.775,-2.0524;-1.2061,-3.9033,-1.3802;-1.3177,-1.1002,-2.087;-4.0359,-2.1763,1.0543;-3.2151,-.5051,-3.5201;-5.9383,-1.5436,-.3851;-5.5386,-.7093,-2.6844; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.6280 1.8900 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 3285 GEPOL Volume 3349.1425 GEPOL Surface-area 1806.7347 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2099.13054591 4126.89247928 -6226.02302518 -11088.44282185 4862.41979667 -0.03642961 -4190.94006674 2091.80952083 2.00349985 130.000001606541 130.000001606541 260.000003213081 -173.916163409295 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 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.4794 -675.3672 -675.2684 -675.2327 -525.4265 -524.6636 -523.5823 -393.2273 -392.9667 -286.4787 -283.7394 -282.9224 -281.7131 -281.6186 -281.5368 -281.4777 -281.3013 -281.2183 -280.5713 -280.3538 -280.2445 -280.2006 -280.0135 -279.9909 -279.9603 -279.9602 -279.9461 -279.9259 -279.8021 -279.7793 -279.7385 -279.6788 -279.6013 -279.2303 -279.1564 -260.7471 -199.5795 -199.3477 -199.3427 -39.1141 -36.6326 -36.4980 -34.3421 -33.0271 -31.7538 -29.5925 -28.5014 -27.6240 -27.2341 -26.6404 -26.4706 -25.6741 -25.2873 -24.3274 -24.2587 -23.6900 -23.5708 -23.4791 -23.0797 -22.7503 -21.9549 -21.6602 -20.6140 -20.4882 -20.1928 -20.0887 -19.6956 -19.4481 -19.1370 -19.0983 -19.0401 -18.5154 -18.3044 -18.2029 -17.9819 -17.7075 -17.0618 -16.9405 -16.8466 -16.4373 -16.2273 -16.1456 -15.8756 -15.7788 -15.7523 -15.6849 -15.3886 -15.2101 -15.0877 -14.8838 -14.7427 -14.7164 -14.6838 -14.6084 -14.3562 -14.3123 -14.2628 -14.1685 -14.0466 -14.0227 -13.9019 -13.7696 -13.7425 -13.4222 -13.2366 -13.0789 -12.9624 -12.9187 -12.9004 -12.7147 -12.4808 -12.3941 -12.3915 -12.3374 -12.2154 -12.0552 -11.9452 -11.7998 -11.7560 -11.6475 -11.5524 -11.5178 -11.4009 -10.7211 -9.6993 -9.6166 -9.4146 -9.2988 -8.4650 -8.1364 0.8825 1.2185 1.3045 1.4441 1.7132 1.9796 2.0631 2.4784 2.9771 3.0034 3.1555 3.4759 3.6666 3.8248 4.0447 4.1048 4.3161 4.4492 4.5276 4.5924 4.6494 4.8092 4.9933 5.0605 5.1524 5.2508 5.3341 5.5407 5.5925 5.6479 5.7636 5.8460 6.0043 6.0546 6.1474 6.2035 6.3236 6.4617 6.5240 6.5742 6.6423 6.7246 6.8108 7.0133 7.1598 7.2449 7.3119 7.4519 7.4967 7.6386 7.6831 7.7450 7.8920 7.9167 8.0345 8.0546 8.1018 8.1585 8.2688 8.4153 8.4623 8.5256 8.6254 8.6717 8.8538 8.8831 8.9399 9.0201 9.0421 9.2149 9.2481 9.2859 9.4408 9.4635 9.6360 9.6866 9.8022 9.9299 10.0005 10.0401 10.1227 10.2108 10.4178 10.4904 10.5542 10.7264 10.7991 10.8299 10.8901 10.9713 11.1208 11.2026 11.2509 11.2598 11.3718 11.4518 11.4846 11.5777 11.6513 11.7603 11.9044 11.9924 12.0867 12.2063 12.3103 12.3686 12.5086 12.6277 12.7241 12.8412 12.9240 12.9707 13.0375 13.1037 13.2029 13.2854 13.3822 13.4452 13.5858 13.6356 13.6429 13.8060 13.8213 13.8826 13.9556 13.9760 14.1062 14.1666 14.1735 14.3197 14.4424 14.5000 14.5637 14.6282 14.6833 14.7230 14.8096 14.9252 14.9509 14.9802 15.0851 15.2780 15.3046 15.3662 15.5189 15.5563 15.7373 15.8108 15.8593 15.9473 15.9700 16.0453 16.1227 16.1965 16.2737 16.3181 16.4468 16.5549 16.6927 16.7664 16.8501 16.9414 16.9975 17.1336 17.2306 17.4355 17.5068 17.6067 17.6381 17.7742 17.8415 18.0134 18.1419 18.2768 18.2820 18.5346 18.6712 18.6892 18.7868 18.9346 19.0033 19.1060 19.1725 19.3991 19.4748 19.6802 19.7274 19.8609 19.9845 20.0568 20.0960 20.1784 20.3671 20.5229 20.6812 20.7404 20.8104 20.9290 21.1094 21.1459 21.2019 21.2504 21.3906 21.5668 21.6844 21.7649 21.8658 21.9798 22.0359 22.1333 22.2903 22.3562 22.4823 22.5437 22.6554 22.7291 22.9459 22.9760 23.1313 23.1848 23.2568 23.4050 23.4762 23.6234 23.7161 23.8771 23.9569 23.9860 24.1314 24.1789 24.3210 24.4729 24.5535 24.6454 24.7430 24.8405 25.0268 25.0679 25.1757 25.2913 25.3992 25.5223 25.6365 25.7066 25.8854 25.9496 26.1225 26.2327 26.2874 26.3479 26.4534 26.6096 26.8720 26.9239 27.0108 27.1968 27.4046 27.5948 27.6296 27.8606 27.9136 27.9551 28.0486 28.0865 28.2318 28.4595 28.5406 28.5871 28.7588 28.8719 28.9937 29.1076 29.1927 29.3376 29.3655 29.4317 29.6825 29.7633 29.9321 30.0287 30.0667 30.3147 30.3866 30.5527 30.6300 30.7775 30.9120 31.1038 31.2184 31.2684 31.3198 31.6004 31.7261 31.8501 31.9166 31.9891 32.1831 32.2191 32.3006 32.4567 32.5512 32.6617 32.8547 32.9483 33.0773 33.1907 33.2490 33.2764 33.3843 33.4489 33.5751 33.6881 33.8099 33.8683 34.0369 34.1059 34.2581 34.3697 34.4090 34.4720 34.7424 34.7843 34.9468 35.0725 35.1431 35.1901 35.4396 35.5029 35.7832 35.8956 35.9763 36.0694 36.1998 36.2882 36.4288 36.5777 36.7158 36.8268 36.9869 37.0381 37.2165 37.2528 37.3970 37.4854 37.5823 37.7090 37.7463 37.8721 37.9989 38.0769 38.2707 38.3319 38.3883 38.5824 38.6988 38.8149 38.8590 39.0031 39.0443 39.2051 39.2862 39.3420 39.4199 39.5475 39.6156 39.6545 39.8313 39.9805 40.1736 40.3118 40.4527 40.6511 40.7130 40.7858 40.8325 41.0886 41.1283 41.2016 41.3343 41.4034 41.5470 41.6282 41.6358 41.9394 42.0205 42.2037 42.3229 42.4502 42.5248 42.6467 42.8109 42.8854 43.0716 43.2912 43.4421 43.5128 43.6413 43.7572 43.8209 43.9355 43.9827 44.2661 44.4083 44.4699 44.5906 44.7127 44.8575 45.0035 45.0298 45.1408 45.2881 45.5297 45.6978 45.8003 46.0263 46.0755 46.2713 46.2837 46.3807 46.4755 46.6182 46.6891 46.7914 46.9171 47.1117 47.1737 47.3429 47.5163 47.6094 47.8262 47.9015 48.0998 48.1662 48.3370 48.4055 48.5686 48.6686 48.8247 48.8761 48.9960 49.0862 49.2781 49.4323 49.5321 49.6225 49.7538 49.9298 50.1054 50.1544 50.2437 50.4892 50.7042 50.9091 50.9578 50.9840 51.2918 51.4060 51.8078 51.8215 52.0433 52.1803 52.3427 52.4586 52.5178 52.6898 52.7754 53.0313 53.3097 53.3350 53.4671 53.6303 53.7071 53.9536 54.0980 54.3200 54.4060 54.6850 54.9819 55.0724 55.2368 55.3721 55.6052 55.7306 55.8223 55.8660 56.2820 56.3293 56.4723 56.6146 56.7007 56.9260 57.0333 57.2608 57.4712 57.6751 57.7855 57.9155 57.9599 58.0299 58.3545 58.5297 58.6878 58.7856 58.9612 59.0204 59.1262 59.2500 59.4504 59.5846 59.8055 59.9648 60.0236 60.2333 60.4900 60.5507 60.6096 60.8027 61.0756 61.1353 61.3582 61.5928 61.9390 62.0037 62.2083 62.4215 62.5334 62.8039 63.0631 63.0871 63.5306 63.6516 63.8179 63.9982 64.0222 64.3171 64.3658 64.4714 64.6094 64.8285 64.9516 65.0606 65.1731 65.3850 65.4131 65.5807 65.7338 65.8068 66.0198 66.1658 66.2589 66.4670 66.7599 66.9423 67.0562 67.3399 67.4928 67.5237 67.6187 67.9583 68.0036 68.0502 68.2567 68.3321 68.5147 68.7668 68.8701 69.0535 69.1933 69.7751 69.9374 70.0614 70.1221 70.4102 70.4983 70.5816 70.7734 70.9916 71.2006 71.4196 71.6072 71.8716 72.3733 72.6304 72.7036 72.8447 72.9920 73.2004 73.3638 73.4740 73.9273 74.0442 74.3086 74.4948 74.7030 74.8140 75.1000 75.1226 75.2462 75.6858 75.7190 75.8183 75.9322 76.0700 76.2915 76.5271 76.5504 76.6398 76.7996 76.8646 77.0995 77.1796 77.3631 77.4035 77.4912 77.7214 78.0193 78.0951 78.2419 78.2708 78.3660 78.5716 78.6294 78.7002 78.8685 79.2080 79.3031 79.3907 79.4765 79.5433 79.7305 79.7722 79.8523 79.8800 80.0997 80.2972 80.3577 80.4677 80.5336 80.6102 80.7907 80.9003 81.1472 81.2746 81.3285 81.4440 81.4518 81.7226 81.8485 82.0727 82.2591 82.2700 82.3786 82.5828 82.6985 82.8331 82.9725 83.0369 83.1029 83.2352 83.4010 83.4680 83.6230 83.6994 83.8570 83.9581 84.0605 84.1968 84.3140 84.3817 84.5455 84.6015 84.7518 84.8177 84.8980 84.9235 85.1126 85.3331 85.4414 85.5093 85.6913 85.7552 85.8872 85.9817 86.0108 86.1240 86.1876 86.2435 86.3955 86.4943 86.5748 86.6169 86.6290 86.7572 86.8618 87.0225 87.0890 87.1636 87.3145 87.4216 87.4948 87.6520 87.6996 87.7894 88.1123 88.1801 88.2840 88.4727 88.5145 88.7686 88.8101 88.9562 89.0577 89.1603 89.2366 89.2407 89.3425 89.4379 89.5173 89.6212 89.8499 89.9101 90.0014 90.0729 90.2385 90.2912 90.3571 90.4493 90.5659 90.6991 90.7706 90.9396 91.0826 91.1245 91.3188 91.4478 91.5466 91.5992 91.6509 91.8168 91.8702 92.0316 92.1525 92.3097 92.3767 92.5735 92.7308 92.8124 92.8544 93.0091 93.0888 93.2163 93.2402 93.3724 93.4093 93.4881 93.6087 93.7497 93.8492 93.8715 93.9677 94.0589 94.2330 94.3087 94.4002 94.5231 94.6389 94.7924 94.8990 94.9631 95.1172 95.1994 95.2071 95.3245 95.4341 95.5658 95.7354 95.8856 95.9873 96.1103 96.1951 96.2199 96.3320 96.5844 96.7280 96.8197 96.9103 97.0296 97.1055 97.2310 97.3225 97.4947 97.5729 97.6096 97.7445 97.9044 98.0690 98.1362 98.3298 98.4120 98.5106 98.6503 98.7723 98.9039 99.0269 99.1833 99.3481 99.3696 99.5713 99.6704 99.8065 99.8796 99.9578 100.0820 100.2746 100.3586 100.4384 100.6692 100.7314 100.9304 100.9936 101.0789 101.3203 101.3524 101.4437 101.6414 101.9109 102.0623 102.3023 102.4629 102.5136 102.7579 102.8529 103.3588 103.4100 103.6258 103.7187 103.8238 103.9101 103.9648 104.0313 104.3136 104.3986 104.4802 104.5928 104.7587 104.9829 105.2062 105.3289 105.5051 105.5930 105.6661 105.6757 105.8917 105.9479 106.1488 106.1681 106.2911 106.3987 106.5330 106.7350 106.7679 106.9028 107.0690 107.1129 107.2797 107.4019 107.6784 107.7358 107.8584 107.9498 108.1092 108.2473 108.3695 108.5046 108.6293 108.8114 108.8348 108.8748 109.1314 109.3331 109.6017 109.6723 109.7152 109.8071 109.9153 109.9846 110.1347 110.1882 110.3160 110.4088 110.5405 110.8923 110.9440 111.0096 111.3119 111.4385 111.4732 111.6134 111.7407 111.8333 111.9449 112.0522 112.2405 112.4220 112.6932 112.8671 113.0241 113.1838 113.3430 113.4294 113.6472 113.8585 113.9366 114.1384 114.2667 114.3226 114.4879 114.6453 114.8466 114.9617 115.0400 115.2785 115.4284 115.5227 115.7334 115.7922 115.8890 115.9464 116.2494 116.4147 116.5048 116.5783 116.7636 116.8332 116.9031 117.1662 117.2841 117.4863 117.5445 117.6112 117.6184 117.7799 117.8805 118.0666 118.1923 118.2383 118.3587 118.5176 118.6106 118.6867 118.7863 118.8647 119.0009 119.0895 119.2270 119.3852 119.5455 119.7886 119.9000 119.9800 120.1064 120.1733 120.4109 120.5216 120.5631 120.7051 120.9024 121.0436 121.1259 121.2123 121.2873 121.5316 121.7054 121.7710 121.9577 122.2681 122.3996 122.5882 122.9100 122.9600 123.1071 123.2431 123.5289 123.7529 123.8962 124.0172 124.2630 124.7269 124.8080 125.1724 125.3940 125.7222 125.9650 126.1126 126.2885 126.3324 126.7276 126.8953 127.0515 127.1231 127.2478 127.3409 128.0548 128.2185 128.2872 128.3249 128.6522 129.1642 129.2304 129.3063 129.4487 129.5829 129.9034 129.9825 130.1780 130.3307 130.5662 130.6675 130.7696 130.8136 131.0074 131.1914 131.3325 131.4860 131.6448 131.8757 132.1017 132.2375 132.3450 132.6353 132.7535 132.7675 133.0708 133.2177 133.4674 133.5987 133.7095 133.8803 134.0759 134.4145 134.5903 134.7207 135.0388 135.1831 135.3177 135.8620 136.1052 136.3022 136.4247 136.5622 136.7999 137.1783 137.3059 137.3415 137.4243 137.8109 138.0497 138.4470 138.5128 138.7145 139.0173 139.3154 139.4273 139.5879 139.7530 140.2365 140.5078 140.8925 141.2678 141.4184 141.7213 141.8669 142.1047 142.4603 142.7381 142.8614 143.3497 143.8180 143.9385 144.2196 144.5110 144.6875 144.7162 145.0755 145.1222 145.5906 145.6601 145.9016 146.0562 146.1760 146.2091 146.7445 146.7813 147.1425 147.5122 147.5710 147.7806 148.0217 148.1275 148.3478 148.4505 148.4973 148.8089 148.9887 149.2277 149.3157 149.7585 149.9124 150.1242 150.1552 150.5328 150.9287 151.3193 151.4769 151.5605 151.8354 151.9419 152.5727 153.0176 153.1469 153.2580 153.5890 153.8158 154.6587 154.8729 154.9459 155.0901 155.2042 155.5586 155.7996 155.8679 156.2145 156.6784 156.7743 157.2033 157.3560 157.4414 157.8093 158.0678 158.3580 158.6225 158.6938 159.1319 159.4477 159.5408 159.7897 160.0104 160.5782 160.7342 160.9760 161.7889 161.9255 162.0949 162.7828 163.1706 163.3709 164.4143 164.6711 165.3620 166.9803 167.4453 168.2874 169.6176 170.5429 171.7909 172.0676 172.2158 172.3348 173.1111 174.5326 174.9099 176.0870 178.0081 178.1672 179.0017 179.7110 181.1507 182.0515 185.4474 186.5276 186.9474 187.1264 187.6060 187.8473 188.6967 188.8047 188.9024 189.0165 189.1413 189.2018 189.3982 189.7858 189.8059 190.3056 191.1594 192.2792 192.6077 192.7580 193.4198 193.7330 194.9427 195.6632 195.7441 195.7929 196.9039 198.3146 202.7920 202.9765 203.2743 205.0206 205.3577 206.2482 207.1280 207.6056 209.3289 210.2811 222.1741 224.1951 224.5144 228.0394 228.3230 228.9156 229.2065 230.1824 233.0479 233.5757 236.2545 238.8483 241.0866 241.6718 244.9229 246.3678 247.6378 248.5850 250.6087 252.4750 295.9471 299.3418 313.6851 617.6773 621.6917 623.6423 626.0560 629.7428 631.4398 631.7485 632.2978 633.8539 634.0275 634.6694 635.0923 635.6389 635.6961 636.5605 636.9263 637.6527 637.8133 638.2516 641.7824 643.1516 646.2640 648.6578 654.7887 657.6466 658.5099 716.4653 876.3924 907.4103 1201.3398 1213.4267 1216.8255 1558.2696 1563.6526 1565.5304 -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 53 54 55 56 Cl F F F O O O N N C C 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 -0.099993 -0.183735 -0.191324 -0.188851 -0.264086 -0.419353 -0.323668 -0.184476 -0.083899 0.071073 0.082409 -0.295590 -0.296017 0.314402 0.225891 0.388804 -0.051814 -0.266720 0.040995 -0.103589 -0.075740 -0.155356 -0.280084 -0.189158 0.577823 0.249890 -0.228738 -0.120513 -0.184218 0.301331 -0.165268 -0.258030 -0.188179 -0.126653 -0.158811 0.055527 0.113524 0.086569 0.091210 0.098661 0.095613 0.096619 0.092067 0.153285 0.145253 0.139298 0.131135 0.143963 0.171661 0.144507 0.160199 0.155523 0.150595 0.140158 0.153327 0.155672 0.156882 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 Cl F F F O O O N N C C 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 17.1000 9.1837 9.1913 9.1889 8.2641 8.4194 8.3237 7.1845 7.0839 5.9289 5.9176 6.2956 6.2960 5.6856 5.7741 5.6112 6.0518 6.2667 5.9590 6.1036 6.0757 6.1554 6.2801 6.1892 5.4222 5.7501 6.2287 6.1205 6.1842 5.6987 6.1653 6.2580 6.1882 6.1267 6.1588 0.9445 0.8865 0.9134 0.9088 0.9013 0.9044 0.9034 0.9079 0.8467 0.8547 0.8607 0.8689 0.8560 0.8283 0.8555 0.8398 0.8445 0.8494 0.8598 0.8467 0.8443 0.8431 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 7.0000 7.0000 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 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 -0.1000 -0.1837 -0.1913 -0.1889 -0.2641 -0.4194 -0.3237 -0.1845 -0.0839 0.0711 0.0824 -0.2956 -0.2960 0.3144 0.2259 0.3888 -0.0518 -0.2667 0.0410 -0.1036 -0.0757 -0.1554 -0.2801 -0.1892 0.5778 0.2499 -0.2287 -0.1205 -0.1842 0.3013 -0.1653 -0.2580 -0.1882 -0.1267 -0.1588 0.0555 0.1135 0.0866 0.0912 0.0987 0.0956 0.0966 0.0921 0.1533 0.1453 0.1393 0.1311 0.1440 0.1717 0.1445 0.1602 0.1555 0.1506 0.1402 0.1533 0.1557 0.1569 1.2342 1.1137 1.0969 1.1041 2.1361 2.0871 2.0481 3.1714 3.1112 3.8181 3.8739 3.9386 3.9473 4.1884 3.7844 3.7460 3.8504 3.8924 3.6120 3.6005 3.8889 4.0474 4.0148 3.9762 4.3951 3.8161 4.0857 3.8942 3.9371 3.5640 3.7981 3.9563 3.9098 3.8687 3.8918 1.0315 1.0176 1.0023 1.0188 1.0042 1.0030 1.0113 1.0029 1.0508 1.0139 1.0133 1.0233 1.0082 1.0010 1.0030 0.9900 0.9965 1.0022 1.0156 0.9964 0.9894 0.9895 1.2342 1.1137 1.0969 1.1041 2.1361 2.0871 2.0481 3.1714 3.1112 3.8181 3.8739 3.9386 3.9473 4.1884 3.7844 3.7460 3.8504 3.8924 3.6120 3.6005 3.8889 4.0474 4.0148 3.9762 4.3951 3.8161 4.0857 3.8942 3.9371 3.5640 3.7981 3.9563 3.9098 3.8687 3.8918 1.0315 1.0176 1.0023 1.0188 1.0042 1.0030 1.0113 1.0029 1.0508 1.0139 1.0133 1.0233 1.0082 1.0010 1.0030 0.9900 0.9965 1.0022 1.0156 0.9964 0.9894 0.9895 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 1.0577 1.1072 1.1002 1.1339 1.1695 0.8556 1.9404 0.9831 0.9045 0.8778 1.2173 0.9583 3.0537 0.9598 0.9401 0.9406 0.9826 0.9248 1.0147 0.9851 0.9946 0.9998 0.9935 0.9861 0.9873 1.2385 1.2326 0.8886 0.9475 0.9789 1.3963 1.4988 1.0015 1.3526 1.3633 1.2969 1.3578 1.0127 0.9917 0.9868 1.4268 0.9505 1.4320 0.9860 1.3598 1.4237 0.9773 0.9739 1.2849 1.3581 1.3943 0.9891 1.4143 1.0050 1.4241 0.9867 1.3987 0.9871 0.9862 0 16 1 24 2 24 3 24 4 13 4 15 5 13 6 25 6 29 7 10 7 14 7 43 8 26 9 10 9 11 9 12 9 35 10 13 10 36 11 37 11 38 11 39 12 40 12 41 12 42 14 16 14 17 15 18 15 26 15 44 16 20 17 21 17 45 18 22 18 23 19 20 19 21 19 24 20 46 21 47 22 25 22 48 23 27 23 49 25 28 27 28 27 50 28 51 29 30 29 31 30 32 30 52 31 33 31 53 32 34 32 54 33 34 33 55 34 56 -0.039580777 -2099.170126682332 33.73590 -32.25749 1.47840 0.42883 0.13940 0.56823 -12.28803 10.44870 -1.83933 2.42728 6.16965