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:-.5349,1.4859,-2.3661;-2.8784,.2072,2.7855;-3.0332,2.2886,3.279;-4.0297,1.5227,1.5337;2.5054,-.1511,.1369;3.8707,.6845,1.6925;-1.1891,-2.6678,-2.2699;1.8453,2.2799,-.7489;.9494,-1.0604,2.9922;4.2696,2.2266,-1.1497;3.1318,2.1213,-.1124;5.6234,2.3941,-.4718;4.3122,1.0724,-2.1463;3.2287,.8276,.6854;.6915,2.1086,-.0309;2.3983,-1.3839,.8353;-.5123,1.7332,-.6486;.6468,2.3137,1.3548;1.7346,-2.3734,-.0861;-1.6832,1.7198,1.4416;-1.6763,1.5313,.0652;-.5125,2.1166,2.0758;.5283,-2.0452,-.6953;2.352,-3.5891,-.3372;-2.9038,1.4403,2.25;-.0502,-2.9527,-1.5691;1.5917,-1.1835,2.046;1.7552,-4.4889,-1.2095;.5554,-4.1774,-1.8256;-2.2527,-2.0387,-1.6712;-2.6274,-2.2882,-.3568;-3.0018,-1.1908,-2.4744;-3.7696,-1.6806,.1462;-4.1471,-.6006,-1.9607;-4.5369,-.8415,-.6504;4.0551,3.1481,-1.6987;3.2871,2.9296,.6063;5.94,1.4871,.045;5.6156,3.211,.2507;6.3846,2.6203,-1.2186;4.6205,.1385,-1.6728;5.0419,1.2934,-2.9255;3.3606,.8937,-2.6497;1.8075,1.9376,-1.6979;3.3796,-1.7559,1.1432;1.5297,2.6394,1.8876;-2.5675,1.2224,-.4659;-.4849,2.2808,3.1446;.0518,-1.0924,-.4937;3.2931,-3.8307,.1393;2.2289,-5.44,-1.4113;.09,-4.8747,-2.5101;-2.0518,-2.9567,.2709;-2.6944,-1.0038,-3.4951;-4.0671,-1.8824,1.1664;-4.7329,.0562,-2.5904;-5.4318,-.3809,-.2548; 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 4170.6484299902 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 4.594e-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 0.369 sec Total time needed 0.739 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:-.5349,1.4859,-2.3661;-2.8784,.2072,2.7855;-3.0332,2.2886,3.279;-4.0297,1.5227,1.5337;2.5054,-.1511,.1369;3.8707,.6845,1.6925;-1.1891,-2.6678,-2.2699;1.8453,2.2799,-.7489;.9494,-1.0604,2.9922;4.2696,2.2266,-1.1497;3.1318,2.1213,-.1124;5.6234,2.3941,-.4718;4.3122,1.0724,-2.1463;3.2287,.8276,.6854;.6915,2.1086,-.0309;2.3983,-1.3839,.8353;-.5123,1.7332,-.6486;.6468,2.3137,1.3548;1.7346,-2.3734,-.0861;-1.6832,1.7198,1.4416;-1.6763,1.5313,.0652;-.5125,2.1166,2.0758;.5283,-2.0452,-.6953;2.352,-3.5891,-.3372;-2.9038,1.4403,2.25;-.0502,-2.9527,-1.5691;1.5917,-1.1835,2.046;1.7552,-4.4889,-1.2095;.5554,-4.1774,-1.8256;-2.2527,-2.0387,-1.6712;-2.6274,-2.2882,-.3568;-3.0018,-1.1908,-2.4744;-3.7696,-1.6806,.1462;-4.1471,-.6006,-1.9607;-4.5369,-.8415,-.6504;4.0551,3.1481,-1.6987;3.2871,2.9296,.6063;5.94,1.4871,.045;5.6156,3.211,.2507;6.3846,2.6203,-1.2186;4.6205,.1385,-1.6728;5.0419,1.2934,-2.9255;3.3606,.8937,-2.6497;1.8075,1.9376,-1.6979;3.3796,-1.7559,1.1432;1.5297,2.6394,1.8876;-2.5675,1.2224,-.4659;-.4849,2.2808,3.1446;.0518,-1.0924,-.4937;3.2931,-3.8307,.1393;2.2289,-5.44,-1.4113;.09,-4.8747,-2.5101;-2.0518,-2.9567,.2709;-2.6944,-1.0038,-3.4951;-4.0671,-1.8824,1.1664;-4.7328,.0562,-2.5904;-5.4318,-.3809,-.2548; 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:-.5349,1.4859,-2.3661;-2.8784,.2072,2.7855;-3.0332,2.2886,3.279;-4.0297,1.5227,1.5337;2.5054,-.1511,.1369;3.8707,.6845,1.6925;-1.1891,-2.6678,-2.2699;1.8453,2.2799,-.7489;.9494,-1.0604,2.9922;4.2696,2.2266,-1.1497;3.1318,2.1213,-.1124;5.6234,2.3941,-.4718;4.3122,1.0724,-2.1463;3.2287,.8276,.6854;.6915,2.1086,-.0309;2.3983,-1.3839,.8353;-.5123,1.7332,-.6486;.6468,2.3137,1.3548;1.7346,-2.3734,-.0861;-1.6832,1.7198,1.4416;-1.6763,1.5313,.0652;-.5125,2.1166,2.0758;.5283,-2.0452,-.6953;2.352,-3.5891,-.3372;-2.9038,1.4403,2.25;-.0502,-2.9527,-1.5691;1.5917,-1.1835,2.046;1.7552,-4.4889,-1.2095;.5554,-4.1774,-1.8256;-2.2527,-2.0387,-1.6712;-2.6274,-2.2882,-.3568;-3.0018,-1.1908,-2.4744;-3.7696,-1.6806,.1462;-4.1471,-.6006,-1.9607;-4.5369,-.8415,-.6504;4.0551,3.1481,-1.6987;3.2871,2.9296,.6063;5.94,1.4871,.045;5.6156,3.211,.2507;6.3846,2.6203,-1.2186;4.6205,.1385,-1.6728;5.0419,1.2934,-2.9255;3.3606,.8937,-2.6497;1.8075,1.9376,-1.6979;3.3796,-1.7559,1.1432;1.5297,2.6394,1.8876;-2.5675,1.2224,-.4659;-.4849,2.2808,3.1446;.0518,-1.0924,-.4937;3.2931,-3.8307,.1393;2.2289,-5.44,-1.4113;.09,-4.8747,-2.5101;-2.0518,-2.9567,.2709;-2.6944,-1.0038,-3.4951;-4.0671,-1.8824,1.1664;-4.7329,.0562,-2.5904;-5.4318,-.3809,-.2548; 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 3316 GEPOL Volume 3323.4698 GEPOL Surface-area 1769.3211 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.6s -2099.11884986 4170.64842999 -6269.76727985 -11176.48532782 4906.71804798 -0.04244574 -4190.90842075 2091.78957089 2.00350383 129.999886517408 129.999886517408 259.999773034816 -173.913396420922 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 -2765.4805 -675.4010 -675.3609 -675.2785 -525.3804 -524.6721 -523.6597 -393.0844 -392.9761 -286.5376 -283.7863 -282.8988 -281.7291 -281.5591 -281.5538 -281.5192 -281.3141 -281.1834 -280.5808 -280.3946 -280.3372 -280.2119 -280.0568 -280.0550 -279.9805 -279.9373 -279.9279 -279.9115 -279.7952 -279.7832 -279.7675 -279.7037 -279.5970 -279.1922 -279.1407 -260.7482 -199.5815 -199.3488 -199.3427 -39.1782 -36.6846 -36.5654 -34.3740 -32.9671 -31.7696 -29.5641 -28.4810 -27.6373 -27.2387 -26.6603 -26.4975 -25.6428 -25.2720 -24.3074 -24.1672 -23.6598 -23.5798 -23.4957 -23.0645 -22.6641 -22.0237 -21.6597 -20.6985 -20.4284 -20.1840 -20.0279 -19.9563 -19.6308 -19.1829 -19.1680 -19.1018 -18.6591 -18.3310 -18.0125 -17.9123 -17.5238 -17.3811 -16.9675 -16.6422 -16.2227 -16.1136 -16.0933 -15.8498 -15.8210 -15.7566 -15.5702 -15.3424 -15.2404 -15.0560 -14.8737 -14.7830 -14.7807 -14.7195 -14.6903 -14.4446 -14.2982 -14.2812 -14.2301 -14.0643 -14.0274 -13.9715 -13.8348 -13.6654 -13.4893 -13.2385 -13.0111 -12.9986 -12.8792 -12.8602 -12.7195 -12.4649 -12.4521 -12.3632 -12.2524 -12.1218 -11.9855 -11.9065 -11.8961 -11.7522 -11.7307 -11.6437 -11.4252 -11.4147 -10.6244 -9.7087 -9.5277 -9.4932 -9.3543 -8.5128 -8.3128 0.8939 1.1031 1.3065 1.3942 1.6834 1.8921 2.0028 2.5329 2.9064 2.9770 3.2006 3.5536 3.7520 3.9609 3.9930 4.1747 4.3659 4.4518 4.6474 4.7438 4.8104 4.9141 5.0467 5.1582 5.2540 5.3205 5.3873 5.5012 5.5805 5.7472 5.8635 5.8938 5.9671 6.1641 6.1946 6.3023 6.3466 6.3912 6.5529 6.5798 6.6580 6.8275 6.9475 7.0455 7.1395 7.2303 7.2768 7.3452 7.5868 7.6080 7.7728 7.8017 7.8903 7.9122 7.9417 8.0493 8.1041 8.1900 8.2757 8.3674 8.4330 8.5385 8.5766 8.6864 8.8079 8.9685 8.9912 9.0354 9.0977 9.2012 9.2694 9.3202 9.5155 9.6593 9.6878 9.7546 9.7768 9.8966 9.9547 10.0256 10.1499 10.3153 10.3838 10.4418 10.4869 10.5756 10.7534 10.7803 10.9250 11.0389 11.1227 11.1962 11.2620 11.4016 11.4379 11.4619 11.5764 11.7368 11.7543 11.8528 11.8716 11.9091 12.0190 12.1573 12.1989 12.3204 12.6104 12.6437 12.7122 12.7982 12.8529 12.9391 13.0062 13.1072 13.2180 13.2981 13.3572 13.4029 13.4629 13.5594 13.6305 13.7200 13.8395 13.9370 13.9986 14.0421 14.1705 14.1876 14.2198 14.3667 14.4129 14.4802 14.5006 14.6451 14.7185 14.8688 14.9286 14.9641 15.0229 15.1220 15.1932 15.3450 15.4449 15.5686 15.6319 15.6801 15.8042 15.8669 15.9420 15.9742 16.0509 16.0636 16.2258 16.3310 16.4209 16.5199 16.5782 16.6008 16.8073 16.9113 16.9413 17.1115 17.1269 17.1747 17.3257 17.4841 17.5338 17.6715 17.9116 17.9729 18.0575 18.2179 18.2763 18.3286 18.5273 18.6036 18.7261 18.7915 18.8921 18.9365 19.2606 19.3487 19.3745 19.4665 19.7008 19.7729 19.9051 19.9648 20.1202 20.2198 20.2486 20.4124 20.4710 20.5931 20.6837 20.7604 20.8626 21.0143 21.0544 21.1563 21.2312 21.3261 21.5478 21.6143 21.6814 21.8185 21.8903 21.9672 21.9828 22.1292 22.2689 22.2942 22.4753 22.5236 22.5925 22.7053 22.8857 22.9114 23.1012 23.1713 23.2211 23.2905 23.4300 23.6491 23.8582 23.8991 23.9773 24.0810 24.1568 24.2746 24.3972 24.4858 24.6357 24.7820 24.8513 24.9780 25.0205 25.1539 25.1807 25.3666 25.4628 25.6386 25.6998 25.8012 25.9251 26.0744 26.2720 26.3643 26.5225 26.5981 26.7484 26.8560 26.9231 27.0194 27.2192 27.2857 27.3500 27.4308 27.6354 27.8469 27.9285 27.9558 28.0110 28.1395 28.2004 28.3317 28.3796 28.4681 28.5186 28.7857 28.9852 29.0847 29.1064 29.1787 29.3254 29.4493 29.5101 29.6683 29.8512 29.8832 30.0055 30.1093 30.1350 30.3322 30.4546 30.5185 30.6553 30.6988 31.0416 31.0999 31.2458 31.2796 31.4028 31.4570 31.6173 31.7676 31.9772 32.1789 32.2299 32.3808 32.4198 32.5518 32.7705 32.8068 32.8239 33.0517 33.0900 33.1721 33.2581 33.3217 33.5178 33.6923 33.8333 33.9458 33.9939 34.2536 34.2925 34.3273 34.4583 34.5980 34.6481 34.8039 34.8644 35.0396 35.1346 35.2270 35.3044 35.5744 35.6166 35.7196 35.9251 36.0333 36.1148 36.2679 36.3140 36.4503 36.5694 36.7201 36.7968 36.9267 36.9970 37.1731 37.2938 37.3974 37.6311 37.7780 37.7890 37.8621 38.0371 38.0982 38.1762 38.2748 38.4908 38.5281 38.6017 38.7286 38.7797 38.9512 39.0590 39.1848 39.2682 39.3960 39.4918 39.6912 39.7242 39.7837 39.9074 40.1344 40.1725 40.3658 40.4088 40.4696 40.5509 40.6632 40.8373 40.9993 41.0528 41.0875 41.2079 41.2972 41.3461 41.6053 41.6859 41.8656 41.9343 42.0534 42.1975 42.2262 42.3884 42.5129 42.8221 42.8281 43.0296 43.1301 43.1952 43.3875 43.5079 43.6649 43.7403 43.9125 44.0792 44.1629 44.2886 44.3674 44.5165 44.6101 44.6470 44.8464 45.0117 45.1282 45.2653 45.4534 45.5181 45.6965 45.7773 46.1823 46.3069 46.4452 46.4966 46.5835 46.7128 46.8280 47.0448 47.1072 47.3084 47.3248 47.4919 47.6503 47.7726 48.0042 48.0119 48.1453 48.2309 48.4085 48.4439 48.5311 48.6505 48.6863 48.8139 48.9297 49.2064 49.3211 49.6200 49.6927 49.7658 49.8918 49.9597 50.0442 50.1538 50.3342 50.6329 50.8573 51.0780 51.1402 51.1574 51.3976 51.6302 51.8687 51.9440 51.9790 52.1902 52.5070 52.7340 52.8253 52.9280 53.2661 53.3996 53.4413 53.5120 53.6726 53.9655 54.0252 54.1977 54.2578 54.4009 54.6814 54.7651 55.1098 55.2534 55.3068 55.4715 55.7020 55.8627 55.9715 56.0320 56.1762 56.2776 56.4994 56.5657 56.7840 56.9706 57.1220 57.2983 57.3630 57.4726 57.5179 57.7780 57.8959 57.9802 58.1825 58.4551 58.5339 58.6114 58.8040 59.1431 59.4460 59.4966 59.5981 59.9047 59.9865 60.1275 60.2605 60.2967 60.4777 60.5541 60.7534 60.8683 60.9033 61.0822 61.1335 61.5039 61.5863 61.8034 62.0698 62.5040 62.5258 62.9558 62.9796 63.2911 63.4489 63.5746 63.6523 63.8955 64.0220 64.2289 64.3876 64.5563 64.7490 64.7900 64.9257 65.3291 65.4292 65.5476 65.7007 65.7884 66.0320 66.1728 66.2297 66.2751 66.6090 66.6653 66.7557 67.0367 67.1681 67.3093 67.4572 67.5779 67.6418 67.8845 67.9015 68.1060 68.2577 68.2997 68.4501 68.6437 68.9893 69.1040 69.2555 69.4458 69.6438 69.7884 70.0370 70.4211 70.4585 70.5709 70.8239 71.1124 71.2604 71.3544 71.4190 72.0778 72.3579 72.4147 72.5962 72.6455 72.7972 73.1125 73.5377 73.6834 73.8342 74.1325 74.3679 74.5446 74.6294 74.7460 74.8377 75.1013 75.2390 75.3654 75.6031 75.7970 75.9533 76.2574 76.3629 76.4242 76.6707 76.7769 76.8268 76.9679 77.0229 77.0467 77.4387 77.4977 77.7514 77.9365 78.0607 78.1106 78.2660 78.3471 78.4681 78.7138 78.7829 78.9079 78.9354 79.0240 79.1602 79.3795 79.4775 79.5849 79.6083 79.7370 79.8620 80.0496 80.1021 80.2424 80.2900 80.3413 80.5196 80.5821 80.8790 80.9982 81.0652 81.1529 81.3266 81.4096 81.5841 81.6645 81.7719 82.0959 82.3568 82.4142 82.5146 82.5603 82.5985 82.7459 82.8980 82.9849 83.0121 83.2033 83.2715 83.3463 83.3958 83.4830 83.6034 83.7428 83.7975 84.1040 84.1590 84.2014 84.4588 84.5735 84.6011 84.7756 84.9178 84.9480 85.0675 85.1835 85.2192 85.3011 85.3926 85.4771 85.5751 85.8031 85.8988 85.9999 86.1124 86.2199 86.2449 86.3377 86.4549 86.6382 86.6938 86.7616 86.8258 87.0004 87.1411 87.3046 87.3812 87.5472 87.7035 87.8029 87.8520 88.0268 88.1590 88.2846 88.4121 88.4492 88.5434 88.6463 88.8040 88.9520 89.0457 89.1777 89.2783 89.3456 89.3892 89.5017 89.5599 89.6525 89.7799 89.9212 89.9281 90.0078 90.1501 90.2031 90.3004 90.4329 90.5592 90.7535 90.9110 90.9962 91.0514 91.1063 91.2565 91.3228 91.3769 91.5148 91.6730 91.8465 91.9213 92.1162 92.2544 92.2791 92.3821 92.4922 92.6776 92.7674 92.8640 92.9657 92.9923 93.1958 93.3173 93.3717 93.4611 93.4933 93.5291 93.7005 93.7432 94.0122 94.1464 94.2275 94.3044 94.4082 94.4793 94.5808 94.6077 94.7670 94.9642 95.1012 95.1681 95.3081 95.4165 95.4654 95.5659 95.5982 95.7180 95.7663 95.8482 95.9644 96.1518 96.2300 96.4171 96.5560 96.6488 96.7305 96.9257 96.9822 97.0920 97.1213 97.1935 97.3281 97.4824 97.6712 97.7608 97.8494 97.9344 98.1064 98.2651 98.3659 98.5154 98.5571 98.7017 98.7959 99.0612 99.1836 99.2593 99.2857 99.5412 99.5889 99.7030 99.8322 99.9585 100.0479 100.2481 100.3214 100.5139 100.6070 100.7699 100.9566 101.0955 101.3037 101.3705 101.5543 101.6993 101.9520 102.0826 102.2534 102.3120 102.6928 102.7424 102.7940 102.8526 103.1145 103.2857 103.4418 103.6134 103.7670 104.0075 104.1199 104.2253 104.3820 104.3865 104.4749 104.5885 104.8183 104.9390 105.1632 105.2020 105.3968 105.4597 105.6335 105.6957 105.8631 105.9757 106.0112 106.1504 106.3090 106.4292 106.4650 106.6307 106.8393 106.8825 107.0447 107.2424 107.2944 107.3660 107.3948 107.5297 107.7782 107.8841 107.9956 108.2260 108.5010 108.6253 108.6778 108.8202 109.0367 109.1559 109.2310 109.3642 109.4968 109.6224 109.7317 109.8636 109.9582 110.0750 110.1949 110.2893 110.4366 110.5161 110.6862 110.8436 111.0134 111.1718 111.1947 111.2907 111.4620 111.5426 111.7223 111.9514 112.0774 112.1872 112.2694 112.3931 112.5146 112.7540 112.9251 113.0843 113.2342 113.3605 113.5852 113.7222 113.9253 114.0669 114.1665 114.4744 114.6227 114.7823 114.9015 114.9490 115.1265 115.3315 115.4121 115.4909 115.6088 115.7920 115.9167 116.0163 116.0760 116.3036 116.3667 116.4318 116.4907 116.7114 116.8751 116.9509 117.2555 117.3902 117.4404 117.6491 117.7091 117.7692 117.9446 117.9737 118.0218 118.1080 118.3513 118.4303 118.5676 118.7493 118.8342 118.8813 118.9607 119.0492 119.0890 119.3316 119.4417 119.6043 119.6406 119.6931 119.8347 120.2127 120.2674 120.4655 120.5233 120.7718 120.8412 120.9563 121.0840 121.1769 121.2600 121.4886 121.6084 121.7674 121.8851 121.9188 121.9365 122.1534 122.3924 122.6651 122.9613 123.1215 123.2292 123.4333 123.5380 124.0413 124.3245 124.6048 124.9432 125.1093 125.2586 125.5318 125.7101 125.8071 126.1057 126.3941 126.4354 126.7485 126.8343 127.1498 127.4844 127.5545 127.6719 128.1044 128.2484 128.5476 128.5987 128.9587 129.1848 129.3623 129.4332 129.5669 129.7302 129.8864 130.0792 130.1463 130.4232 130.5486 130.7381 130.9433 131.0683 131.2709 131.3422 131.3795 131.5358 131.6941 131.8777 132.0664 132.2669 132.3492 132.6476 132.6667 132.8948 132.9945 133.0998 133.5050 133.7773 133.9527 134.0195 134.2870 134.4823 134.7804 135.0752 135.3839 135.5410 135.7751 135.8516 136.2805 136.5389 136.6206 136.7869 137.0075 137.5152 137.6378 137.7993 138.0951 138.3656 138.5369 138.7543 138.9398 139.0637 139.3612 139.5708 139.7142 139.9637 140.1249 140.6088 140.9635 141.2388 141.4408 141.5740 141.7675 142.2749 142.6934 142.7414 143.0223 143.3451 143.4004 143.8972 144.3324 144.4448 144.6066 144.7750 145.0873 145.3354 145.4395 145.6160 145.6496 146.0929 146.2433 146.4021 146.9205 146.9936 147.1583 147.5929 147.9286 148.0223 148.1163 148.3934 148.4639 148.5346 148.7694 149.0085 149.0327 149.5471 149.5956 149.7467 150.2006 150.2460 150.4001 150.4783 150.5869 150.8277 151.2307 151.4930 151.9960 152.0656 152.6003 152.8016 152.9599 153.0847 153.2036 153.6672 154.1194 154.6404 154.7264 155.0610 155.3302 155.5910 155.8424 156.0625 156.4515 156.5851 156.7706 156.9974 157.0772 157.3078 157.8096 157.9941 158.3286 158.6916 158.8349 159.0153 159.3753 159.6828 160.3731 160.5780 160.7614 161.4380 161.6383 161.9956 162.0780 162.3857 162.9246 163.0237 163.4850 163.6825 164.3979 166.2758 167.0703 167.3124 168.8020 170.1796 170.5243 171.4044 171.6656 172.0030 173.0090 173.2915 174.5104 174.8093 176.3208 177.2095 177.7482 178.0009 179.2717 180.6144 181.9257 185.2533 186.8360 187.2816 187.5853 187.6650 187.9407 188.7030 188.7855 188.8951 189.1688 189.2108 189.2657 189.3110 189.4446 189.6867 189.7426 192.1041 192.1300 192.4562 192.8187 193.1306 194.1902 194.9721 195.4682 195.5538 196.1106 196.8192 198.5282 202.0695 202.8086 203.2675 205.1098 206.3166 206.5744 206.6800 207.7408 209.7016 210.0734 223.1339 224.5746 225.0469 228.2670 228.4083 228.9083 229.3266 230.3708 233.2258 233.2789 235.9781 238.9846 241.1153 241.3383 244.4299 246.1610 247.6885 248.3277 250.8488 252.1984 296.7960 299.9502 313.9257 618.7093 620.5334 621.8440 625.7965 629.3335 630.8592 631.9492 632.0503 633.3396 634.1332 634.5628 634.7011 635.5396 635.6648 636.5278 636.8389 637.2166 637.5380 637.8174 642.8540 644.7332 646.6482 650.1488 654.6171 657.5740 658.4303 717.9482 879.1932 904.3037 1200.9601 1214.2853 1215.2832 1559.3512 1562.1233 1564.7743 -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 -0.096429 -0.187771 -0.185719 -0.183747 -0.258108 -0.425471 -0.333892 -0.250059 -0.092417 0.050677 0.146239 -0.314362 -0.289861 0.302528 0.151369 0.414441 -0.012565 -0.198554 -0.004930 -0.071716 -0.100157 -0.199863 -0.171118 -0.190424 0.563807 0.257083 -0.232194 -0.113424 -0.235622 0.325621 -0.179906 -0.299523 -0.158724 -0.086691 -0.195868 0.063914 0.130971 0.085501 0.100545 0.100850 0.085335 0.104069 0.089887 0.161067 0.133554 0.151485 0.158286 0.148431 0.116992 0.149546 0.162708 0.149946 0.152622 0.144283 0.156559 0.157483 0.153318 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 17.0964 9.1878 9.1857 9.1837 8.2581 8.4255 8.3339 7.2501 7.0924 5.9493 5.8538 6.3144 6.2899 5.6975 5.8486 5.5856 6.0126 6.1986 6.0049 6.0717 6.1002 6.1999 6.1711 6.1904 5.4362 5.7429 6.2322 6.1134 6.2356 5.6744 6.1799 6.2995 6.1587 6.0867 6.1959 0.9361 0.8690 0.9145 0.8995 0.8991 0.9147 0.8959 0.9101 0.8389 0.8664 0.8485 0.8417 0.8516 0.8830 0.8505 0.8373 0.8501 0.8474 0.8557 0.8434 0.8425 0.8467 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 -0.0964 -0.1878 -0.1857 -0.1837 -0.2581 -0.4255 -0.3339 -0.2501 -0.0924 0.0507 0.1462 -0.3144 -0.2899 0.3025 0.1514 0.4144 -0.0126 -0.1986 -0.0049 -0.0717 -0.1002 -0.1999 -0.1711 -0.1904 0.5638 0.2571 -0.2322 -0.1134 -0.2356 0.3256 -0.1799 -0.2995 -0.1587 -0.0867 -0.1959 0.0639 0.1310 0.0855 0.1005 0.1009 0.0853 0.1041 0.0899 0.1611 0.1336 0.1515 0.1583 0.1484 0.1170 0.1495 0.1627 0.1499 0.1526 0.1443 0.1566 0.1575 0.1533 1.2335 1.0936 1.1139 1.1144 2.1709 2.0752 2.0734 3.2110 3.0921 3.8630 3.8519 3.9431 3.9409 4.1553 3.8610 3.7406 3.9341 3.8902 3.7405 3.6665 3.9007 4.0052 3.9397 3.9283 4.4154 3.7415 4.0271 3.8895 4.0010 3.6082 3.8748 3.9640 3.8277 3.8176 3.8524 1.0186 1.0042 1.0082 1.0034 1.0016 1.0094 1.0038 1.0131 1.0431 1.0220 1.0086 1.0036 1.0102 1.0323 1.0004 0.9881 1.0046 0.9997 1.0134 0.9996 0.9887 0.9971 1.2335 1.0936 1.1139 1.1144 2.1709 2.0752 2.0734 3.2110 3.0921 3.8630 3.8519 3.9431 3.9409 4.1553 3.8610 3.7406 3.9341 3.8902 3.7405 3.6665 3.9007 4.0052 3.9397 3.9283 4.4154 3.7415 4.0271 3.8895 4.0010 3.6082 3.8748 3.9640 3.8277 3.8176 3.8524 1.0186 1.0042 1.0082 1.0034 1.0016 1.0094 1.0038 1.0131 1.0431 1.0220 1.0086 1.0036 1.0102 1.0323 1.0004 0.9881 1.0046 0.9997 1.0134 0.9996 0.9887 0.9971 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 1.0655 1.1025 1.1368 1.1147 1.1606 0.8899 1.9395 0.9505 0.9388 0.9647 1.2062 0.9672 3.0311 0.9274 0.9311 0.9343 1.0097 0.8974 1.0011 0.9809 0.9966 0.9953 0.9803 0.9931 0.9918 1.2697 1.2736 0.9133 0.9220 0.9687 1.4227 1.4738 0.9893 1.3627 1.3635 1.3555 1.3533 1.0112 0.9491 0.9912 1.3954 0.9562 1.4204 0.9828 1.3737 1.4337 0.9813 0.9828 1.3398 1.3412 1.3954 0.9799 1.4068 1.0049 1.3748 0.9881 1.3785 0.9926 0.9988 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 -0.040727408 -2099.159577264548 36.74052 -34.42645 2.31407 -5.19940 4.98440 -0.21500 -17.14221 14.74219 -2.40002 3.34084 8.49174