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:-.5696,2.1234,-2.2531;-3.9882,1.0468,1.5168;-2.8432,.3592,3.2054;-3.2649,2.4495,2.9753;2.7397,-.504,-.7515;3.6192,-.2694,1.2892;-2.3794,-1.5648,.1122;1.8977,2.0873,-.5803;4.5594,-3.2639,.1699;4.3035,2.088,-1.036;3.184,1.7056,-.0522;4.3479,3.6003,-1.2162;5.6548,1.5686,-.5589;3.2193,.2182,.2655;.7404,1.8701,.1094;2.4556,-1.8816,-.5342;-.5089,1.8938,-.5337;.7261,1.6443,1.4942;1.2505,-2.0633,.3589;-1.6766,1.5026,1.5205;-1.6942,1.727,.1508;-.4552,1.4605,2.1817;.0166,-1.7204,-.1877;1.3389,-2.5231,1.6645;-2.9387,1.3376,2.2934;-1.1335,-1.88,.57;3.6416,-2.623,-.0948;.1806,-2.6514,2.4193;-1.0548,-2.3389,1.8799;-2.7264,-1.7115,-1.2061;-2.2595,-2.7515,-2.0013;-3.6469,-.7998,-1.7056;-2.707,-2.8542,-3.3116;-4.0937,-.9232,-3.0128;-3.6213,-1.9445,-3.8251;4.0747,1.6256,-2.0024;3.3756,2.2286,.8887;4.5469,4.1003,-.266;3.4186,4.0006,-1.6198;5.1464,3.8712,-1.9073;5.8804,1.9183,.4504;6.4439,1.9311,-1.2175;5.7168,.4794,-.562;1.829,2.0522,-1.5874;2.2217,-2.2638,-1.5305;1.6497,1.6238,2.0546;-2.6237,1.7691,-.4;-.4066,1.2894,3.249;-.036,-1.3484,-1.2039;2.2919,-2.792,2.1003;.2415,-3.0074,3.4388;-1.9577,-2.4592,2.4644;-1.5592,-3.481,-1.6157;-4.0227,-.009,-1.07;-2.3387,-3.6614,-3.9312;-4.8141,-.2121,-3.3951;-3.967,-2.035,-4.8461; 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 4154.4578478525 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 4.209e-06 Time for diagonalization 0.362 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.360 sec Total time needed 0.730 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:-.5696,2.1234,-2.2531;-3.9882,1.0468,1.5168;-2.8432,.3592,3.2054;-3.2649,2.4495,2.9753;2.7397,-.504,-.7515;3.6192,-.2694,1.2892;-2.3794,-1.5648,.1122;1.8977,2.0873,-.5803;4.5594,-3.2639,.1699;4.3035,2.088,-1.036;3.184,1.7056,-.0522;4.3479,3.6003,-1.2162;5.6548,1.5686,-.5589;3.2193,.2182,.2655;.7404,1.8701,.1094;2.4556,-1.8816,-.5342;-.5089,1.8938,-.5337;.7261,1.6443,1.4942;1.2505,-2.0633,.3589;-1.6766,1.5026,1.5205;-1.6942,1.727,.1508;-.4552,1.4605,2.1817;.0166,-1.7204,-.1877;1.3389,-2.5231,1.6645;-2.9387,1.3376,2.2934;-1.1335,-1.88,.57;3.6416,-2.623,-.0948;.1806,-2.6514,2.4193;-1.0548,-2.3389,1.8799;-2.7264,-1.7115,-1.2061;-2.2595,-2.7515,-2.0013;-3.6469,-.7998,-1.7056;-2.707,-2.8542,-3.3116;-4.0937,-.9232,-3.0128;-3.6213,-1.9445,-3.8251;4.0747,1.6256,-2.0024;3.3756,2.2286,.8887;4.5469,4.1004,-.266;3.4186,4.0006,-1.6198;5.1464,3.8712,-1.9073;5.8804,1.9183,.4504;6.4439,1.9311,-1.2175;5.7168,.4794,-.562;1.829,2.0522,-1.5874;2.2217,-2.2638,-1.5305;1.6497,1.6238,2.0546;-2.6237,1.7691,-.4;-.4066,1.2894,3.249;-.036,-1.3484,-1.2039;2.2919,-2.792,2.1003;.2415,-3.0074,3.4388;-1.9577,-2.4592,2.4644;-1.5592,-3.481,-1.6157;-4.0227,-.009,-1.07;-2.3387,-3.6614,-3.9312;-4.8141,-.2121,-3.3951;-3.967,-2.035,-4.8461; 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" 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:-.5696,2.1234,-2.2531;-3.9882,1.0468,1.5168;-2.8432,.3592,3.2054;-3.2649,2.4495,2.9753;2.7397,-.504,-.7515;3.6192,-.2694,1.2892;-2.3794,-1.5648,.1122;1.8977,2.0873,-.5803;4.5594,-3.2639,.1699;4.3035,2.088,-1.036;3.184,1.7056,-.0522;4.3479,3.6003,-1.2162;5.6548,1.5686,-.5589;3.2193,.2182,.2655;.7404,1.8701,.1094;2.4556,-1.8816,-.5342;-.5089,1.8938,-.5337;.7261,1.6443,1.4942;1.2505,-2.0633,.3589;-1.6766,1.5026,1.5205;-1.6942,1.727,.1508;-.4552,1.4605,2.1817;.0166,-1.7204,-.1877;1.3389,-2.5231,1.6645;-2.9387,1.3376,2.2934;-1.1335,-1.88,.57;3.6416,-2.623,-.0948;.1806,-2.6514,2.4193;-1.0548,-2.3389,1.8799;-2.7264,-1.7115,-1.2061;-2.2595,-2.7515,-2.0013;-3.6469,-.7998,-1.7056;-2.707,-2.8542,-3.3116;-4.0937,-.9232,-3.0128;-3.6213,-1.9445,-3.8251;4.0747,1.6256,-2.0024;3.3756,2.2286,.8887;4.5469,4.1003,-.266;3.4186,4.0006,-1.6198;5.1464,3.8712,-1.9073;5.8804,1.9183,.4504;6.4439,1.9311,-1.2175;5.7168,.4794,-.562;1.829,2.0522,-1.5874;2.2217,-2.2638,-1.5305;1.6497,1.6238,2.0546;-2.6237,1.7691,-.4;-.4066,1.2894,3.249;-.036,-1.3484,-1.2039;2.2919,-2.792,2.1003;.2415,-3.0074,3.4388;-1.9577,-2.4592,2.4644;-1.5592,-3.481,-1.6157;-4.0227,-.009,-1.07;-2.3387,-3.6614,-3.9312;-4.8141,-.2121,-3.3951;-3.967,-2.035,-4.8461; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.5200 1.8900 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 3268 GEPOL Volume 3331.4684 GEPOL Surface-area 1827.3164 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2099.11798495 4154.45784785 -6253.57583280 -11143.35773136 4889.78189856 -0.04476695 -4190.90890838 2091.79092343 2.00350277 130.000186384012 130.000186384012 260.000372768023 -173.916725933819 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 -2765.4869 -675.4169 -675.3485 -675.2777 -525.3533 -524.7217 -523.6713 -393.1193 -392.9120 -286.5321 -283.7610 -282.8947 -281.7305 -281.5958 -281.5483 -281.5198 -281.3124 -281.1622 -280.5699 -280.3722 -280.2940 -280.2047 -280.0229 -280.0222 -279.9544 -279.9260 -279.9101 -279.8826 -279.8269 -279.8090 -279.7815 -279.7227 -279.6273 -279.1782 -279.1203 -260.7546 -199.5876 -199.3551 -199.3494 -39.1713 -36.6842 -36.5582 -34.3309 -33.0253 -31.7575 -29.5846 -28.4412 -27.6412 -27.1989 -26.6749 -26.4891 -25.6595 -25.2095 -24.3024 -24.1779 -23.7089 -23.5994 -23.5252 -23.0748 -22.6788 -22.0034 -21.6420 -20.7699 -20.3818 -20.2215 -20.0676 -19.8233 -19.6213 -19.2232 -19.1553 -19.1112 -18.7670 -18.3212 -18.1330 -17.7321 -17.5178 -17.0172 -16.9915 -16.6598 -16.3427 -16.1901 -16.0660 -15.8836 -15.8335 -15.7829 -15.6194 -15.3742 -15.2009 -15.1635 -14.8869 -14.8424 -14.7495 -14.7008 -14.6099 -14.3979 -14.2784 -14.2694 -14.1634 -14.0877 -14.0293 -13.8905 -13.8184 -13.7619 -13.3833 -13.2196 -13.0449 -12.9678 -12.8761 -12.7617 -12.7519 -12.5208 -12.4400 -12.4046 -12.2749 -12.1477 -12.1323 -12.0031 -11.8456 -11.7651 -11.7406 -11.5234 -11.4787 -11.3911 -10.5767 -9.6993 -9.5249 -9.4813 -9.4255 -8.4614 -8.1983 0.9311 1.1786 1.3585 1.4008 1.6600 1.9163 2.1071 2.5205 2.7348 3.0212 3.2615 3.6422 3.7095 3.9018 3.9912 4.1677 4.3861 4.4307 4.5988 4.6890 4.8033 4.9817 5.0113 5.0922 5.2278 5.3633 5.4359 5.4951 5.5786 5.7092 5.7624 5.8431 5.9912 6.0557 6.1519 6.3274 6.4440 6.5047 6.5442 6.6567 6.6735 6.8331 6.9611 7.1073 7.1176 7.2892 7.3837 7.4550 7.5024 7.6471 7.7247 7.8372 7.9002 7.9458 8.0250 8.0967 8.1707 8.2772 8.3193 8.3914 8.4820 8.5189 8.6594 8.8021 8.8766 8.9790 9.0636 9.0693 9.1234 9.2144 9.2645 9.3918 9.4210 9.5024 9.6275 9.7101 9.7982 9.8791 9.9630 10.0592 10.2219 10.2841 10.3452 10.5536 10.6344 10.6633 10.7276 10.8149 10.8834 11.0294 11.0955 11.1866 11.2663 11.4069 11.4751 11.4823 11.5736 11.6941 11.7218 11.8695 11.9584 12.0215 12.1188 12.1983 12.2298 12.3550 12.4646 12.5898 12.6651 12.7181 12.7528 12.8854 12.9667 13.1074 13.1301 13.2256 13.2454 13.4439 13.5058 13.5885 13.6901 13.7055 13.7827 13.8928 13.9828 14.0194 14.1332 14.1921 14.2758 14.3359 14.3391 14.5679 14.5914 14.6642 14.7548 14.8564 14.8856 14.9189 14.9747 15.0338 15.0903 15.1545 15.2533 15.3817 15.4313 15.5338 15.6356 15.6945 15.7634 15.9104 16.0002 16.0402 16.1279 16.1565 16.2653 16.3791 16.4113 16.5199 16.7207 16.7655 16.9069 17.0797 17.1763 17.2251 17.3619 17.4092 17.5991 17.7573 17.7766 17.8216 18.0073 18.0809 18.3238 18.3823 18.4473 18.5590 18.6937 18.8356 18.9294 19.0941 19.1834 19.2760 19.3970 19.5970 19.7549 19.7831 20.0182 20.0701 20.1240 20.1752 20.2670 20.4209 20.4718 20.5992 20.6831 20.7431 20.8262 20.8754 21.0593 21.2360 21.2563 21.4201 21.5074 21.5705 21.6473 21.8012 21.8922 21.9514 22.0407 22.1369 22.1730 22.2426 22.5782 22.6544 22.7187 22.9665 23.0205 23.1496 23.2861 23.3849 23.4392 23.5137 23.6790 23.8486 23.9282 23.9765 24.0595 24.1914 24.2781 24.3204 24.5067 24.5676 24.6138 24.7966 24.8226 24.8813 24.9677 25.2375 25.2810 25.4156 25.4607 25.7164 25.8044 25.8497 25.8941 26.0547 26.1840 26.2684 26.3824 26.5519 26.6929 26.7154 26.8654 27.0267 27.1126 27.2066 27.3327 27.4983 27.5422 27.6492 27.8273 27.9954 28.0685 28.2811 28.3768 28.4216 28.5194 28.6719 28.7612 28.8956 28.9810 29.0523 29.1036 29.3018 29.3865 29.5060 29.6620 29.6805 29.7081 29.7935 29.9932 30.0322 30.1879 30.3558 30.4342 30.5526 30.7373 30.9951 31.0790 31.1129 31.1929 31.2861 31.3545 31.5942 31.7528 31.8959 32.0335 32.1409 32.2752 32.4317 32.4755 32.5684 32.6836 32.8883 32.9654 33.0699 33.2026 33.3708 33.4914 33.6642 33.8242 33.8311 33.9031 34.0257 34.1061 34.3225 34.3580 34.3840 34.8345 34.9343 34.9524 35.0951 35.2175 35.3049 35.3676 35.4948 35.5853 35.6114 35.7880 35.8221 35.9046 36.0734 36.2005 36.3200 36.5494 36.6438 36.6711 36.6938 36.8703 37.0306 37.0688 37.2142 37.3888 37.5150 37.6392 37.7912 37.8977 38.1025 38.1598 38.3150 38.4388 38.4775 38.5376 38.6905 38.8384 38.9570 39.0401 39.1200 39.1403 39.2002 39.4058 39.4500 39.6434 39.7960 39.8187 39.9055 40.0550 40.1551 40.3608 40.4139 40.6052 40.6584 40.7253 40.7606 40.9933 41.0623 41.2605 41.3036 41.3138 41.4869 41.6098 41.6583 41.7945 41.9240 42.0372 42.0969 42.2622 42.4619 42.5629 42.6903 42.7551 42.9019 43.0857 43.1186 43.1486 43.2364 43.4144 43.6766 43.7522 43.9497 44.1523 44.1698 44.4687 44.6793 44.7638 44.8349 44.9714 45.0746 45.1794 45.2780 45.4750 45.4969 45.5281 45.6592 45.7901 45.9976 46.2133 46.2710 46.4585 46.6260 46.6748 46.8649 46.9458 47.1220 47.2105 47.2870 47.4061 47.5453 47.5829 47.6585 47.7706 48.0757 48.1438 48.2730 48.3768 48.4897 48.6409 48.8678 48.8814 49.0781 49.0947 49.3639 49.4519 49.5556 49.7105 49.7891 50.0414 50.2415 50.4178 50.4494 50.6020 50.7695 50.9814 51.1087 51.3723 51.4454 51.6087 51.8174 51.8659 52.0294 52.1332 52.3357 52.4927 52.6153 52.6881 52.8828 53.0632 53.2155 53.2594 53.4238 53.6513 53.8606 54.1186 54.2799 54.4497 54.7137 54.8374 55.0103 55.1133 55.3780 55.5334 55.7554 55.8020 55.9135 56.1549 56.3026 56.4553 56.5271 56.6350 56.7749 56.8954 56.9898 57.2072 57.3424 57.5340 57.6865 57.7578 57.8700 58.1585 58.3860 58.5185 58.7354 58.7565 59.1259 59.2266 59.4299 59.5525 59.6019 59.7162 59.8890 60.1295 60.1900 60.5151 60.6334 60.6681 60.7948 60.9010 60.9979 61.0894 61.3250 61.5610 61.8716 61.9845 62.1821 62.2637 62.6271 62.6948 62.9362 63.4080 63.5718 63.8098 63.8986 64.0781 64.1786 64.4172 64.5243 64.6135 64.8587 64.8957 64.9620 65.2896 65.3870 65.5086 65.6529 65.9064 65.9824 66.0446 66.2660 66.3099 66.4946 66.7086 66.9395 67.1125 67.1637 67.3915 67.4392 67.5283 67.6558 67.7288 67.8623 67.9967 68.1565 68.3520 68.6153 68.6991 68.8384 69.0557 69.2753 69.5030 69.7431 69.8411 70.0317 70.3327 70.5773 70.7094 71.0528 71.2455 71.3082 71.5504 71.7123 71.9436 72.2818 72.4805 72.6232 72.7726 73.0389 73.2098 73.4210 73.7666 73.9283 74.3036 74.4524 74.5704 74.7074 74.9676 75.1407 75.3251 75.4673 75.5690 75.7722 75.8891 76.0200 76.1181 76.2560 76.3385 76.5658 76.7794 76.8927 76.9021 77.0110 77.1482 77.2084 77.3936 77.7291 77.8505 77.9826 78.2413 78.3497 78.4745 78.5831 78.7128 78.8043 78.8496 79.0596 79.1141 79.2972 79.4399 79.4707 79.5433 79.6599 79.7776 79.8386 79.9396 80.0172 80.2313 80.2703 80.4626 80.5345 80.6492 80.6943 80.8241 81.0227 81.2397 81.3584 81.5150 81.5425 81.5785 81.8287 82.0408 82.1232 82.2023 82.3690 82.5230 82.7729 82.8121 82.9156 83.1365 83.2405 83.4060 83.5027 83.6107 83.7193 83.7729 83.9664 84.0927 84.2018 84.2458 84.3797 84.5374 84.6293 84.7445 84.8125 84.8736 84.9769 85.1630 85.3071 85.3368 85.4485 85.4822 85.6091 85.6684 85.7524 85.8175 86.0157 86.0273 86.1626 86.2608 86.3601 86.4729 86.6854 86.7135 86.8200 87.0071 87.0674 87.1252 87.2987 87.3431 87.5129 87.7300 87.7976 87.9032 87.9348 88.0970 88.2285 88.3559 88.4435 88.4929 88.6215 88.7482 88.8240 88.8743 89.0627 89.0789 89.1728 89.3051 89.4303 89.5731 89.6039 89.7755 89.8361 89.9159 90.1145 90.2569 90.2848 90.3860 90.4431 90.5411 90.5780 90.6920 90.7417 90.9267 91.0767 91.1795 91.3007 91.3854 91.4884 91.6271 91.7726 91.9456 92.0073 92.1583 92.2678 92.5157 92.5982 92.7234 92.7767 92.9445 92.9944 93.0306 93.1252 93.1852 93.2720 93.4079 93.4559 93.6430 93.6996 93.8205 93.8681 93.9096 94.0652 94.1839 94.3842 94.4190 94.5567 94.6647 94.7718 94.8650 95.0514 95.1463 95.2993 95.4836 95.5563 95.7580 95.8063 95.8778 96.0772 96.1156 96.1649 96.3261 96.3620 96.4774 96.6083 96.7006 96.8806 96.9592 97.1746 97.1887 97.2730 97.3484 97.4376 97.5473 97.5825 97.7012 97.9005 97.9893 98.1111 98.1357 98.2163 98.4070 98.5453 98.7367 98.8166 98.9374 99.0875 99.1524 99.3052 99.4390 99.5174 99.6411 99.8231 99.9575 100.0421 100.0807 100.2349 100.4096 100.5940 100.7459 100.8260 100.8872 101.0596 101.1514 101.2997 101.4676 101.5676 101.8287 101.9649 102.1791 102.3436 102.4276 102.6340 102.9931 103.1673 103.3805 103.4743 103.5038 103.6111 103.8430 104.0712 104.0926 104.2343 104.3340 104.4941 104.6658 104.7721 104.8948 105.1666 105.2639 105.3128 105.3629 105.4601 105.5812 105.6621 105.7726 105.9446 105.9909 106.1532 106.3931 106.5148 106.6736 106.7737 106.8437 106.8899 107.2061 107.3217 107.4456 107.6138 107.6772 107.7941 107.8428 108.0328 108.1242 108.3221 108.3681 108.4311 108.4479 108.6660 108.8790 108.9337 109.0910 109.1832 109.3356 109.5936 109.9058 109.9266 110.1260 110.1613 110.1923 110.3330 110.4931 110.5816 110.6487 110.8755 111.0162 111.2097 111.2287 111.5065 111.6156 111.6641 111.8042 111.8513 112.0920 112.1679 112.2548 112.4245 112.6677 112.7402 112.9949 113.1490 113.4387 113.5115 113.6964 113.7976 113.8899 114.1275 114.2757 114.3660 114.4650 114.5829 114.7384 114.8361 114.9571 115.1054 115.1690 115.5414 115.5983 115.8184 115.8854 116.0720 116.1911 116.2861 116.5646 116.6351 116.7054 116.8949 117.0099 117.0805 117.2274 117.2802 117.3237 117.4585 117.6879 117.7573 117.9154 118.0223 118.3135 118.3192 118.4598 118.5648 118.6263 118.7194 118.9224 118.9819 119.0635 119.1725 119.2016 119.2672 119.4064 119.5718 119.7023 119.7839 120.0642 120.1320 120.2337 120.4230 120.5238 120.6438 120.7313 120.9321 121.1098 121.3059 121.3320 121.3841 121.6271 121.7870 122.0970 122.2112 122.3546 122.5960 122.7810 122.9606 123.0348 123.1765 123.3450 123.7744 124.0172 124.1607 124.3135 124.5486 124.8165 125.1371 125.1948 125.3839 125.7643 126.0689 126.4404 126.5719 126.6329 126.9294 127.0472 127.2263 127.4092 127.5175 127.8147 127.9115 128.0176 128.3970 128.5105 128.8890 129.2296 129.4129 129.4765 129.6258 129.7056 129.9971 130.0755 130.3218 130.4942 130.5981 130.6077 130.7560 130.9428 131.2120 131.2809 131.3293 131.6724 131.9017 132.0104 132.0695 132.3402 132.7220 132.7784 133.0134 133.0194 133.2176 133.5077 133.5961 133.9811 134.2006 134.3693 134.5661 134.8523 135.3040 135.4303 135.6436 135.7344 135.9291 136.0924 136.2431 136.5621 136.8228 136.9485 137.3371 137.5220 137.7976 137.8491 138.0154 138.1911 138.4628 138.8106 138.8650 139.2365 139.6044 140.0038 140.0615 140.4003 140.5878 140.7335 141.0913 141.2858 141.4196 141.6693 142.0732 142.3302 142.5162 142.9191 143.3866 143.5785 143.9419 144.0579 144.2231 144.4355 144.6118 144.8353 144.9165 145.1623 145.4681 145.8106 145.8190 145.9067 146.3163 146.4231 146.5865 147.1093 147.2168 147.3968 147.6763 147.8805 148.0212 148.1577 148.1946 148.4999 148.6486 148.7033 149.0076 149.2160 149.4610 149.5806 149.8020 149.9852 150.2141 150.6179 150.8073 150.9636 151.2845 151.5037 151.8135 152.5422 152.6557 152.7161 152.9002 153.3846 153.4989 153.9282 154.5812 154.5982 154.8464 154.9055 155.3578 155.4204 155.6590 155.7456 156.0686 156.6588 156.6823 157.1224 157.2187 157.4621 157.6089 157.7906 158.0915 158.6562 158.7305 159.3333 159.3859 159.7284 160.0683 160.3629 160.6460 161.0310 161.4153 161.4988 161.9419 162.1536 162.9950 163.1837 163.6039 164.0109 164.3433 165.2047 166.9462 167.4647 168.5796 169.9188 170.9351 171.6090 171.9882 172.4342 172.7988 173.5599 174.5716 175.0402 176.6379 177.9371 178.6047 178.9180 180.4996 181.1695 182.3867 186.1990 186.3381 186.7718 187.4617 187.6231 188.5827 188.6730 188.7802 188.8934 189.1100 189.1726 189.2325 189.2901 189.6884 189.7393 189.9751 191.3638 192.4361 192.6923 192.8371 193.2680 194.6851 194.9576 195.3065 195.5719 195.9607 196.8130 199.1454 202.8337 203.2967 203.3030 204.6867 205.1785 206.4039 208.1255 208.4451 209.4720 210.1349 222.0804 224.2390 224.7085 228.1248 228.2350 228.8689 229.1295 230.1431 233.0796 233.4737 235.9936 238.8771 240.9844 241.3667 244.5339 246.2516 247.7520 248.7733 250.3741 252.4811 295.8413 299.0874 313.4853 618.2322 619.3866 623.0693 625.7946 629.8406 631.0857 631.8461 633.1720 633.9499 634.4932 634.8829 634.9751 635.3068 635.7648 636.3050 636.9777 637.6030 637.8825 638.9818 642.0640 644.1103 646.4544 648.7010 654.8105 657.5645 658.2357 716.4075 878.2483 905.5827 1202.7694 1213.0717 1217.9939 1558.8017 1562.5422 1563.0188 -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 -0.098576 -0.182200 -0.187994 -0.188118 -0.267699 -0.421422 -0.330198 -0.220770 -0.094448 0.068625 0.110968 -0.296826 -0.303578 0.336741 0.166635 0.436777 0.021873 -0.195329 0.005928 -0.031789 -0.158249 -0.217523 -0.289353 -0.182542 0.561901 0.361977 -0.235461 -0.115595 -0.279031 0.350793 -0.222385 -0.296020 -0.147061 -0.118967 -0.193450 0.061674 0.123758 0.088750 0.092842 0.097036 0.098043 0.095056 0.093026 0.154033 0.149450 0.141418 0.136609 0.144583 0.139406 0.138595 0.161414 0.143126 0.158659 0.150171 0.162506 0.161326 0.160883 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 17.0986 9.1822 9.1880 9.1881 8.2677 8.4214 8.3302 7.2208 7.0944 5.9314 5.8890 6.2968 6.3036 5.6633 5.8334 5.5632 5.9781 6.1953 5.9941 6.0318 6.1582 6.2175 6.2894 6.1825 5.4381 5.6380 6.2355 6.1156 6.2790 5.6492 6.2224 6.2960 6.1471 6.1190 6.1935 0.9383 0.8762 0.9113 0.9072 0.9030 0.9020 0.9049 0.9070 0.8460 0.8505 0.8586 0.8634 0.8554 0.8606 0.8614 0.8386 0.8569 0.8413 0.8498 0.8375 0.8387 0.8391 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 -0.0986 -0.1822 -0.1880 -0.1881 -0.2677 -0.4214 -0.3302 -0.2208 -0.0944 0.0686 0.1110 -0.2968 -0.3036 0.3367 0.1666 0.4368 0.0219 -0.1953 0.0059 -0.0318 -0.1582 -0.2175 -0.2894 -0.1825 0.5619 0.3620 -0.2355 -0.1156 -0.2790 0.3508 -0.2224 -0.2960 -0.1471 -0.1190 -0.1935 0.0617 0.1238 0.0887 0.0928 0.0970 0.0980 0.0951 0.0930 0.1540 0.1495 0.1414 0.1366 0.1446 0.1394 0.1386 0.1614 0.1431 0.1587 0.1502 0.1625 0.1613 0.1609 1.2310 1.1123 1.1038 1.1011 2.1542 2.0750 2.0432 3.2058 3.1047 3.8008 3.8609 3.9401 3.9539 4.1061 3.8517 3.8736 3.8210 3.8511 3.6382 3.5286 3.9918 4.0448 3.9880 3.9372 4.4066 3.4993 4.0498 3.9228 4.0157 3.6262 3.9185 3.9620 3.8881 3.8986 3.9121 1.0264 1.0057 1.0013 1.0162 1.0047 1.0042 1.0035 1.0078 1.0441 0.9937 1.0182 1.0140 1.0122 1.0140 1.0181 0.9885 1.0146 0.9966 1.0124 0.9889 0.9895 0.9893 1.2310 1.1123 1.1038 1.1011 2.1542 2.0750 2.0432 3.2058 3.1047 3.8008 3.8609 3.9401 3.9539 4.1061 3.8517 3.8736 3.8210 3.8511 3.6382 3.5286 3.9918 4.0448 3.9880 3.9372 4.4066 3.4993 4.0498 3.9228 4.0157 3.6262 3.9185 3.9620 3.8881 3.8986 3.9121 1.0264 1.0057 1.0013 1.0162 1.0047 1.0042 1.0035 1.0078 1.0441 0.9937 1.0182 1.0140 1.0122 1.0140 1.0181 0.9885 1.0146 0.9966 1.0124 0.9889 0.9895 0.9893 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.0525 1.1151 1.1122 1.1330 1.1418 0.8785 1.9199 0.1100 0.8968 0.9673 0.9254 1.2282 0.9623 3.0470 0.9490 0.9360 0.9292 0.9886 0.9160 0.9992 0.9856 0.9942 0.9993 0.9912 0.9956 0.9836 1.2329 1.2417 0.9533 0.9254 0.9453 1.4325 1.4825 0.9917 1.3518 1.3387 1.3150 1.3274 1.0082 0.9948 1.0024 1.3416 0.9833 1.4380 0.9782 1.3410 1.4411 0.9848 1.0010 1.3449 1.3405 1.4225 0.9782 1.4408 0.9824 1.4156 0.9774 1.4046 0.9786 0.9843 0 16 1 24 2 24 3 24 4 13 4 15 5 13 5 15 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 -0.040156786 -2099.158141731498 33.83958 -33.66413 0.17545 -1.30967 2.23056 0.92089 -16.03135 13.95465 -2.07670 2.27849 5.79145