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:-.191,1.9492,-2.4575;-3.039,2.6806,3.0419;-3.9638,2.2969,1.1339;-3.1597,.6734,2.2905;2.4438,-.2935,.15;3.6296,.339,1.9336;-1.623,-3.6079,-1.6826;2.123,2.2631,-.6037;.6295,-1.2262,2.8252;4.5096,1.8382,-.8795;3.3262,1.9036,.1066;4.7226,3.2004,-1.5311;5.7913,1.3713,-.1994;3.1697,.582,.8505;.9024,2.2394,.0093;2.1818,-1.5627,.7465;-.2824,2.0935,-.73;.7656,2.3601,1.3989;1.5734,-2.4323,-.3241;-1.6228,2.1168,1.2547;-1.5207,2.0358,-.1277;-.4697,2.2849,2.0097;.1971,-2.575,-.4608;2.4439,-3.0508,-1.2119;-2.9419,1.9483,1.9252;-.3016,-3.3561,-1.4968;1.3071,-1.3822,1.911;1.9301,-3.8176,-2.2463;.5633,-3.9728,-2.3943;-2.5923,-2.8395,-1.0877;-3.4752,-3.468,-.2236;-2.7396,-1.4965,-1.4091;-4.5275,-2.7439,.3204;-3.7948,-.7853,-.8567;-4.6887,-1.4017,.0092;4.2499,1.1131,-1.6596;3.5625,2.6566,.8648;5.549,3.1499,-2.2413;4.9737,3.9565,-.7839;3.8471,3.5495,-2.0783;5.7392,.3384,.1462;6.0453,2.0018,.6551;6.6213,1.4248,-.9046;2.1215,1.9887,-1.5759;3.112,-2.015,1.1033;1.6351,2.5175,2.0223;-2.3964,1.9183,-.7508;-.5148,2.3636,3.0877;-.478,-2.0966,.2385;3.5145,-2.9379,-1.0957;2.6001,-4.3022,-2.944;.1608,-4.5783,-3.1967;-3.3474,-4.5176,.0105;-2.0494,-1.0134,-2.0905;-5.2218,-3.2353,.9898;-3.9279,.2559,-1.1178;-5.5118,-.8396,.4304; 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 4074.9473902601 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 5.297e-06 Time for diagonalization 0.454 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.425 sec Total time needed 0.890 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:-.191,1.9492,-2.4575;-3.039,2.6806,3.0419;-3.9638,2.2969,1.1339;-3.1597,.6734,2.2905;2.4438,-.2935,.15;3.6296,.339,1.9336;-1.623,-3.6079,-1.6826;2.123,2.2631,-.6037;.6295,-1.2262,2.8252;4.5096,1.8382,-.8795;3.3262,1.9036,.1066;4.7226,3.2004,-1.5311;5.7913,1.3713,-.1994;3.1697,.582,.8505;.9024,2.2394,.0093;2.1818,-1.5627,.7465;-.2824,2.0935,-.73;.7656,2.3601,1.3989;1.5734,-2.4323,-.3241;-1.6228,2.1168,1.2547;-1.5207,2.0358,-.1277;-.4697,2.2849,2.0097;.1971,-2.575,-.4608;2.4439,-3.0508,-1.2119;-2.9419,1.9483,1.9252;-.3016,-3.3561,-1.4968;1.3071,-1.3822,1.911;1.9301,-3.8176,-2.2463;.5633,-3.9728,-2.3943;-2.5923,-2.8395,-1.0877;-3.4752,-3.468,-.2236;-2.7396,-1.4965,-1.4091;-4.5275,-2.7439,.3204;-3.7948,-.7853,-.8567;-4.6887,-1.4017,.0092;4.2499,1.1131,-1.6596;3.5625,2.6566,.8648;5.549,3.1499,-2.2413;4.9737,3.9565,-.7839;3.8471,3.5495,-2.0783;5.7392,.3384,.1462;6.0453,2.0018,.6551;6.6213,1.4248,-.9046;2.1215,1.9887,-1.5759;3.112,-2.015,1.1033;1.6351,2.5175,2.0223;-2.3964,1.9183,-.7508;-.5148,2.3636,3.0877;-.478,-2.0966,.2385;3.5145,-2.9379,-1.0957;2.6001,-4.3022,-2.944;.1608,-4.5783,-3.1967;-3.3474,-4.5176,.0105;-2.0494,-1.0134,-2.0905;-5.2218,-3.2353,.9898;-3.9279,.2559,-1.1178;-5.5118,-.8396,.4304; 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:-.191,1.9492,-2.4575;-3.039,2.6806,3.0419;-3.9638,2.2969,1.1339;-3.1597,.6734,2.2905;2.4438,-.2935,.15;3.6296,.339,1.9336;-1.623,-3.6079,-1.6826;2.123,2.2631,-.6037;.6295,-1.2262,2.8252;4.5096,1.8382,-.8795;3.3262,1.9036,.1066;4.7226,3.2004,-1.5311;5.7913,1.3713,-.1994;3.1697,.582,.8505;.9024,2.2394,.0093;2.1818,-1.5627,.7465;-.2824,2.0935,-.73;.7656,2.3601,1.3989;1.5734,-2.4323,-.3241;-1.6228,2.1168,1.2547;-1.5207,2.0358,-.1277;-.4697,2.2849,2.0097;.1971,-2.575,-.4608;2.4439,-3.0508,-1.2119;-2.9419,1.9483,1.9252;-.3016,-3.3561,-1.4968;1.3071,-1.3822,1.911;1.9301,-3.8176,-2.2463;.5633,-3.9728,-2.3943;-2.5923,-2.8395,-1.0877;-3.4752,-3.468,-.2236;-2.7396,-1.4965,-1.4091;-4.5275,-2.7439,.3204;-3.7948,-.7853,-.8567;-4.6887,-1.4017,.0092;4.2499,1.1131,-1.6596;3.5625,2.6566,.8648;5.549,3.1499,-2.2413;4.9737,3.9565,-.7839;3.8471,3.5495,-2.0783;5.7392,.3384,.1462;6.0453,2.0018,.6551;6.6213,1.4248,-.9046;2.1215,1.9887,-1.5759;3.112,-2.015,1.1033;1.6351,2.5175,2.0223;-2.3964,1.9183,-.7508;-.5148,2.3636,3.0877;-.478,-2.0966,.2385;3.5145,-2.9379,-1.0957;2.6001,-4.3022,-2.944;.1608,-4.5783,-3.1967;-3.3474,-4.5176,.0105;-2.0494,-1.0134,-2.0905;-5.2218,-3.2353,.9898;-3.9279,.2559,-1.1178;-5.5118,-.8396,.4304; 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 3272 GEPOL Volume 3361.5388 GEPOL Surface-area 1853.1302 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2099.13182759 4074.94739026 -6174.07921785 -10984.94823050 4810.86901265 -0.03875180 -4190.92989210 2091.79806451 2.00350596 130.000195822755 130.000195822755 260.000391645509 -173.909380147833 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 -2765.5200 -675.3769 -675.3401 -675.2383 -525.3832 -524.6584 -523.6196 -393.1162 -392.9507 -286.5073 -283.7344 -282.9119 -281.8028 -281.5579 -281.5359 -281.5036 -281.2689 -281.2301 -280.6101 -280.3989 -280.3167 -280.2214 -280.1269 -280.0600 -279.9999 -279.9536 -279.8866 -279.8773 -279.8336 -279.8233 -279.8151 -279.7726 -279.6812 -279.2403 -279.2088 -260.7875 -199.6206 -199.3866 -199.3840 -39.1427 -36.6624 -36.5318 -34.3383 -33.0297 -31.7297 -29.6150 -28.4687 -27.6658 -27.2315 -26.6960 -26.5139 -25.6617 -25.2962 -24.3176 -24.1675 -23.7054 -23.6290 -23.5212 -23.0622 -22.6649 -22.0347 -21.6870 -20.7393 -20.3587 -20.2348 -20.0357 -19.8793 -19.6867 -19.2112 -19.1263 -19.0292 -18.7893 -18.3343 -18.0842 -17.9082 -17.5730 -17.3297 -16.9652 -16.6343 -16.4031 -16.1915 -16.0601 -15.8732 -15.8077 -15.7613 -15.5388 -15.2672 -15.2367 -15.1215 -14.8436 -14.8162 -14.7570 -14.7197 -14.6583 -14.4114 -14.3196 -14.2715 -14.2487 -14.0474 -14.0123 -13.9384 -13.8604 -13.7379 -13.4127 -13.3134 -13.0056 -12.9671 -12.9121 -12.7690 -12.5948 -12.5739 -12.4906 -12.4370 -12.2445 -12.1514 -12.0965 -11.9967 -11.9415 -11.8326 -11.7311 -11.5812 -11.5571 -11.4224 -10.6403 -9.7317 -9.5659 -9.4283 -9.3278 -8.6225 -8.2869 0.9578 1.1099 1.3524 1.3971 1.6732 1.8909 2.0496 2.5289 2.6672 2.9717 3.1519 3.5278 3.5784 3.8291 3.9936 4.1859 4.3628 4.4522 4.5394 4.6493 4.7899 4.8602 4.9832 5.0753 5.1498 5.2809 5.3527 5.4670 5.6387 5.7302 5.7898 5.9231 5.9630 6.1067 6.1625 6.2003 6.2956 6.4181 6.5799 6.6180 6.7324 6.7495 6.9249 6.9843 7.0452 7.1738 7.2904 7.4545 7.4878 7.5243 7.6177 7.7362 7.7823 7.8601 7.9003 8.0774 8.1259 8.1670 8.2068 8.2940 8.4055 8.4806 8.5569 8.6395 8.6981 8.8240 8.8995 8.9892 9.0720 9.1837 9.2963 9.3364 9.4239 9.5122 9.6113 9.6287 9.7419 9.8074 9.8411 10.0012 10.0537 10.1377 10.2097 10.3653 10.4599 10.5659 10.6787 10.7163 10.8748 10.9085 11.0305 11.1149 11.1531 11.2547 11.2985 11.3983 11.4691 11.5294 11.6847 11.7467 11.7798 11.8870 11.9417 12.0324 12.1066 12.1332 12.3126 12.3765 12.4058 12.4285 12.5591 12.7235 12.8400 12.8860 12.9613 13.0934 13.1429 13.2340 13.3565 13.4143 13.4737 13.6425 13.7586 13.7972 13.8792 13.9688 14.0508 14.0752 14.1956 14.3014 14.3525 14.4033 14.5333 14.5962 14.6766 14.7417 14.8356 14.8629 14.9443 15.0107 15.0286 15.1254 15.1700 15.2940 15.3260 15.3926 15.4744 15.6291 15.6967 15.8065 15.8979 15.9962 16.0078 16.1465 16.2071 16.3768 16.4076 16.5128 16.6806 16.8390 16.8667 16.9220 17.0171 17.1324 17.2520 17.2806 17.3671 17.5042 17.6829 17.8318 17.8974 17.9842 18.0228 18.2404 18.2713 18.3996 18.5492 18.6454 18.8226 18.8809 18.9598 19.0637 19.2329 19.3229 19.3642 19.4484 19.5852 19.7202 19.8226 19.9511 20.0661 20.1918 20.3377 20.3930 20.4756 20.5291 20.6282 20.7989 20.8466 20.8942 21.0209 21.1281 21.2355 21.2941 21.4013 21.5527 21.6174 21.7420 21.7728 21.9471 22.0212 22.1561 22.2333 22.3151 22.4572 22.4862 22.5893 22.7677 22.9342 23.0551 23.0800 23.1136 23.2128 23.3525 23.4385 23.5011 23.6588 23.7468 23.7755 24.0732 24.1355 24.2914 24.3158 24.4752 24.5721 24.6562 24.6815 24.8949 24.9470 25.0746 25.1603 25.4029 25.5181 25.5659 25.6744 25.7319 25.9254 25.9501 26.0085 26.0822 26.3611 26.5074 26.5851 26.6412 26.7336 26.9570 27.0865 27.2530 27.3936 27.4519 27.5639 27.6228 27.6993 27.8708 27.9832 28.0236 28.1239 28.2729 28.4074 28.4881 28.5784 28.7086 28.8974 28.9817 29.0397 29.1969 29.3414 29.4083 29.4637 29.4733 29.5989 29.7247 29.8325 29.9742 30.1680 30.2255 30.4510 30.4885 30.5149 30.6931 30.8104 30.9009 31.0149 31.1289 31.1709 31.5043 31.5503 31.7836 31.8847 31.9263 32.1078 32.2217 32.3291 32.4561 32.5096 32.7469 32.8564 33.0306 33.2242 33.3393 33.3886 33.4417 33.6475 33.7633 33.9062 33.9433 34.0044 34.0718 34.1863 34.3098 34.4182 34.5647 34.6556 34.7857 34.9876 35.0618 35.2018 35.3539 35.5213 35.5650 35.7483 35.7762 35.9012 36.1094 36.1615 36.2686 36.3824 36.4422 36.5677 36.6598 36.7743 36.9635 37.0495 37.1067 37.2411 37.4113 37.5092 37.6659 37.8227 37.9115 37.9720 38.0733 38.1819 38.2943 38.3831 38.4170 38.5680 38.7416 38.7626 38.9925 39.1220 39.2177 39.2642 39.2789 39.4549 39.5391 39.7072 39.7500 39.8364 40.0029 40.0649 40.0980 40.2274 40.3195 40.5343 40.5589 40.6394 40.8317 40.8591 41.0936 41.1145 41.2686 41.3115 41.4804 41.7098 41.8206 41.8701 42.0772 42.2490 42.3005 42.4723 42.5105 42.7094 42.9880 43.1326 43.1494 43.3460 43.3920 43.5936 43.6956 43.7865 43.9629 44.0092 44.1270 44.2365 44.2839 44.3895 44.6709 44.7381 44.7967 45.1273 45.2407 45.3914 45.4641 45.7000 45.8104 45.9144 46.0568 46.1191 46.3209 46.4053 46.5593 46.6991 46.7202 46.8635 46.9433 47.0592 47.2727 47.4382 47.5559 47.6233 47.7924 47.9280 48.0623 48.1358 48.2914 48.3461 48.4904 48.5317 48.7228 48.9043 49.1337 49.1745 49.2829 49.4335 49.5568 49.7772 49.8643 49.9325 49.9921 50.1612 50.2934 50.4656 50.6272 50.9104 51.0716 51.4501 51.4981 51.6375 51.8384 51.8396 51.9986 52.1034 52.1712 52.3566 52.4598 52.8485 52.9313 53.0853 53.2479 53.4042 53.5307 53.7894 53.8324 53.9824 54.0804 54.2792 54.4187 54.5365 54.7213 54.9310 55.2349 55.3853 55.4532 55.6972 55.8700 56.0136 56.2313 56.3308 56.4651 56.5823 56.8158 56.9154 57.1208 57.1365 57.2519 57.4435 57.5353 57.6435 57.6564 57.9912 58.1515 58.2466 58.3543 58.4888 58.7946 58.8610 59.0990 59.2143 59.3263 59.6285 59.8248 59.9016 60.0381 60.1339 60.2419 60.4312 60.6264 60.7313 60.7997 60.9935 61.2631 61.5184 61.6338 62.0607 62.1023 62.3739 62.4756 63.0989 63.1960 63.2645 63.3472 63.5632 63.6500 63.9493 64.0677 64.1895 64.3823 64.6364 64.7037 64.9357 65.0555 65.2226 65.3490 65.5284 65.6835 65.8356 65.9443 66.0319 66.2347 66.4444 66.5612 66.7045 66.8602 66.9940 67.2952 67.3559 67.4946 67.6589 67.7980 67.8698 68.0791 68.1716 68.2635 68.3488 68.5928 68.8368 69.0413 69.1544 69.2844 69.5090 69.7772 69.8781 70.2412 70.5511 70.8158 70.8959 71.2940 71.4077 71.4763 71.9623 72.1672 72.2736 72.5322 72.7555 72.9992 73.0467 73.3505 73.6498 73.8328 73.9320 74.0562 74.3469 74.5052 74.8084 74.8517 75.1881 75.2385 75.3278 75.4236 75.6379 75.7476 75.9501 76.0075 76.1772 76.3411 76.5040 76.7277 76.7801 76.9587 77.0727 77.1712 77.3560 77.4560 77.8018 77.9407 78.1145 78.1650 78.2391 78.3276 78.5110 78.6202 78.7101 78.8074 78.9439 79.0521 79.2242 79.2757 79.3547 79.4353 79.5600 79.6085 79.7050 79.8737 80.0690 80.1404 80.1741 80.3633 80.5746 80.6637 80.8224 81.0225 81.0954 81.1605 81.2464 81.3638 81.4783 81.7382 81.8863 81.9779 82.1050 82.2858 82.4287 82.5154 82.5797 82.6981 82.7515 82.8314 83.0222 83.0733 83.2740 83.2793 83.3683 83.4817 83.5752 83.7986 83.8563 83.9016 84.0678 84.2361 84.2670 84.4976 84.6326 84.7150 84.8187 84.9702 84.9895 85.0392 85.0857 85.2814 85.3295 85.4758 85.5416 85.6648 85.7113 85.8453 85.9493 86.0096 86.1094 86.1671 86.3171 86.3575 86.4567 86.7840 86.8283 86.9698 87.0944 87.1987 87.3603 87.5024 87.5920 87.6015 87.7498 87.7877 88.0740 88.1138 88.3209 88.3799 88.6400 88.7296 88.8283 88.8894 88.9513 89.0083 89.2503 89.3254 89.3397 89.5119 89.5417 89.6226 89.6934 89.7609 89.8859 89.9502 90.0387 90.1099 90.3115 90.4320 90.5258 90.6215 90.7609 90.8713 90.9804 91.0630 91.2615 91.2773 91.3288 91.4662 91.5304 91.6761 91.8392 91.9179 91.9954 92.1285 92.3453 92.3866 92.5639 92.7585 92.7962 92.9148 92.9751 93.0217 93.1051 93.3175 93.4320 93.4790 93.5946 93.6714 93.7507 93.8359 93.9492 94.0363 94.1314 94.2051 94.3917 94.4470 94.5253 94.6351 94.7723 94.8604 95.0159 95.1387 95.1936 95.3360 95.5275 95.6501 95.7542 95.8494 95.9085 96.0125 96.0839 96.1808 96.4077 96.4587 96.5899 96.7973 96.8944 97.0393 97.1237 97.2305 97.3628 97.4232 97.4684 97.6590 97.7757 97.7909 97.9737 98.0491 98.2405 98.2900 98.4653 98.5955 98.7508 98.8976 99.0771 99.1303 99.2327 99.3528 99.4524 99.5766 99.7243 99.8255 99.8973 100.0063 100.1194 100.3482 100.3845 100.5133 100.6168 100.7574 100.9111 101.0583 101.2265 101.5056 101.6257 101.7260 101.8666 102.0452 102.1356 102.2495 102.4599 102.7466 102.9432 103.1189 103.3955 103.5312 103.5958 103.8039 104.0370 104.0600 104.2324 104.3804 104.4851 104.5751 104.6872 104.7994 105.0080 105.0995 105.4150 105.5130 105.5814 105.5943 105.6991 105.7975 105.9310 106.0979 106.2094 106.2694 106.3617 106.6339 106.7146 106.8130 106.8995 106.9914 107.1468 107.2748 107.4924 107.5351 107.5685 107.6894 107.8965 107.9137 108.0618 108.3678 108.5275 108.6162 108.6346 108.8137 108.9178 109.0607 109.2787 109.3641 109.4821 109.5621 109.7966 109.8515 110.0010 110.1583 110.2920 110.3805 110.5060 110.5739 110.6941 110.7704 110.9427 111.0458 111.1841 111.4704 111.5022 111.6748 111.9476 112.0500 112.1731 112.3324 112.5496 112.7054 112.8569 112.9887 113.2247 113.3196 113.3977 113.5574 113.6177 113.8077 113.9144 114.1766 114.1970 114.4178 114.5352 114.6959 114.7731 114.9963 115.1090 115.2850 115.4472 115.5575 115.6523 115.7711 115.8729 116.0447 116.1604 116.2897 116.6349 116.6469 116.7641 116.9236 116.9702 117.1288 117.2980 117.3380 117.6188 117.7528 117.8500 118.0810 118.1206 118.1948 118.2735 118.3524 118.4596 118.5708 118.7443 118.8115 118.9107 118.9164 119.1174 119.1607 119.2295 119.3965 119.5209 119.5757 119.6803 119.8546 120.0248 120.1299 120.3620 120.4119 120.5537 120.6531 120.8940 121.0068 121.1414 121.2823 121.3874 121.4986 121.6615 121.7784 121.8242 122.3761 122.4295 122.5663 122.7276 122.7717 122.8651 123.3013 123.5277 123.7060 124.1217 124.1899 124.3424 124.7375 124.9599 125.4002 125.5919 125.6940 126.0212 126.3013 126.4287 126.5648 126.8302 126.8644 127.3650 127.5467 127.8968 128.0040 128.2017 128.2863 128.6070 128.6304 128.9725 128.9887 129.3741 129.4240 129.7531 129.8069 130.0310 130.1002 130.2436 130.4476 130.5773 130.7578 130.8651 131.0122 131.1201 131.3902 131.4696 131.6405 131.7288 131.9825 132.2757 132.3908 132.7132 132.7898 132.8884 132.9383 133.1413 133.3216 133.4151 133.8580 134.0717 134.3825 134.4817 134.5727 134.9600 134.9956 135.3543 135.5324 135.7212 135.8907 136.0225 136.3886 136.6131 136.8479 137.2347 137.5610 137.7008 137.8631 138.1149 138.2536 138.4106 138.7813 139.0214 139.2680 139.4389 139.6487 140.0326 140.1816 140.8500 141.1002 141.3142 141.3676 141.5985 141.9555 142.1780 142.4301 142.5945 142.9918 143.5975 143.7153 143.8222 144.1247 144.4428 144.5750 144.7442 145.0261 145.1612 145.3205 145.5542 145.7468 145.8879 146.0239 146.3501 146.5203 146.9575 147.1864 147.4601 147.6464 147.7899 148.0452 148.1472 148.2558 148.3813 148.7653 148.8883 149.1195 149.3787 149.5061 149.6355 149.8314 150.1090 150.2722 150.4896 150.8018 150.8768 151.1344 151.4314 151.7425 152.0925 152.2732 152.5070 152.8100 153.2707 153.3583 153.9170 154.3085 154.5757 154.7349 155.0603 155.3183 155.3324 155.4610 155.6575 155.9594 156.1469 156.5635 156.9678 157.1766 157.4104 157.6164 157.7534 158.1891 158.5579 158.8372 159.0477 159.4169 159.5862 159.8254 160.1690 160.7042 161.0617 161.3396 161.5940 162.0020 162.4777 162.5684 162.9717 163.6808 163.8909 164.7737 166.7529 166.9844 167.1772 168.3369 168.5360 171.0700 171.6399 171.9449 172.2912 173.4503 174.0783 174.2415 175.4596 176.2240 177.2547 177.5014 177.9057 179.2087 181.8393 182.0702 184.8827 186.4327 187.0936 187.3244 187.6482 187.7619 188.7355 188.8085 188.9095 189.1778 189.2488 189.2517 189.3193 189.7078 189.7528 189.9132 191.4418 191.6692 192.4531 192.8945 193.0780 194.0612 194.8917 195.5332 195.7333 196.1212 196.8337 198.4164 201.2903 202.8506 203.2804 205.0542 206.1955 206.7042 206.7747 207.4218 209.7490 210.0514 222.1130 223.9421 224.2135 228.1236 228.2418 228.7584 229.2981 230.0056 233.1794 233.2435 235.8665 239.0220 241.1271 241.3134 244.3561 246.0840 247.7304 248.0588 250.6031 252.2400 295.6808 299.0892 313.2352 616.6910 618.9988 619.5496 625.7620 628.9157 631.1408 632.0258 632.3550 633.4918 634.1609 634.3047 635.0486 635.4168 635.5407 636.1502 636.4833 636.9591 637.0230 637.7523 643.0502 643.5306 646.1528 648.5559 654.4639 657.4617 658.3394 715.8156 879.6819 904.8395 1201.6207 1214.0834 1215.5683 1559.3469 1561.5639 1564.1473 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 -0.098949 -0.184438 -0.188404 -0.183963 -0.249097 -0.401142 -0.320799 -0.235329 -0.080377 0.053902 0.107599 -0.290516 -0.300594 0.313619 0.156286 0.404172 -0.007762 -0.171664 -0.032530 -0.025087 -0.157397 -0.214250 -0.167412 -0.228699 0.568105 0.278518 -0.235513 -0.118373 -0.229198 0.256319 -0.219986 -0.174446 -0.123211 -0.151740 -0.179218 0.059250 0.121954 0.096052 0.089222 0.092784 0.093944 0.095994 0.094644 0.149408 0.139032 0.149271 0.146095 0.146554 0.133289 0.145348 0.158509 0.146772 0.145445 0.147945 0.158095 0.164697 0.157268 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 17.0989 9.1844 9.1884 9.1840 8.2491 8.4011 8.3208 7.2353 7.0804 5.9461 5.8924 6.2905 6.3006 5.6864 5.8437 5.5958 6.0078 6.1717 6.0325 6.0251 6.1574 6.2142 6.1674 6.2287 5.4319 5.7215 6.2355 6.1184 6.2292 5.7437 6.2200 6.1744 6.1232 6.1517 6.1792 0.9408 0.8780 0.9039 0.9108 0.9072 0.9061 0.9040 0.9054 0.8506 0.8610 0.8507 0.8539 0.8534 0.8667 0.8547 0.8415 0.8532 0.8546 0.8521 0.8419 0.8353 0.8427 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 -0.0989 -0.1844 -0.1884 -0.1840 -0.2491 -0.4011 -0.3208 -0.2353 -0.0804 0.0539 0.1076 -0.2905 -0.3006 0.3136 0.1563 0.4042 -0.0078 -0.1717 -0.0325 -0.0251 -0.1574 -0.2142 -0.1674 -0.2287 0.5681 0.2785 -0.2355 -0.1184 -0.2292 0.2563 -0.2200 -0.1744 -0.1232 -0.1517 -0.1792 0.0592 0.1220 0.0961 0.0892 0.0928 0.0939 0.0960 0.0946 0.1494 0.1390 0.1493 0.1461 0.1466 0.1333 0.1453 0.1585 0.1468 0.1454 0.1479 0.1581 0.1647 0.1573 1.2284 1.1160 1.1101 1.0972 2.1527 2.1003 2.0898 3.1933 3.0918 3.8239 3.8495 3.9376 3.9468 4.1438 3.8499 3.7269 3.9243 3.8767 3.7950 3.6276 4.0129 4.0576 3.9005 3.9691 4.4025 3.7875 4.0217 3.9083 4.0017 3.7315 4.0128 3.9413 3.8889 3.8351 3.8827 1.0248 1.0054 1.0051 1.0013 1.0168 1.0085 1.0051 1.0033 1.0457 1.0086 1.0109 1.0107 1.0111 1.0202 1.0018 0.9892 1.0074 1.0062 1.0052 0.9887 0.9897 0.9939 1.2284 1.1160 1.1101 1.0972 2.1527 2.1003 2.0898 3.1933 3.0918 3.8239 3.8495 3.9376 3.9468 4.1438 3.8499 3.7269 3.9243 3.8767 3.7950 3.6276 4.0129 4.0576 3.9005 3.9691 4.4025 3.7875 4.0217 3.9083 4.0017 3.7315 4.0128 3.9413 3.8889 3.8351 3.8827 1.0248 1.0054 1.0051 1.0013 1.0168 1.0085 1.0051 1.0033 1.0457 1.0086 1.0109 1.0107 1.0111 1.0202 1.0018 0.9892 1.0074 1.0062 1.0052 0.9887 0.9897 0.9939 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 1.0553 1.1334 1.1090 1.1034 1.1524 0.8732 1.9573 1.0086 0.8906 0.9394 1.2076 0.9671 3.0369 0.9511 0.9430 0.9327 0.9864 0.9116 0.9946 0.9990 0.9844 0.9933 0.9864 0.9906 0.9957 1.2658 1.2652 0.9528 0.8874 0.9641 1.4668 1.4842 0.9821 1.3556 1.3866 1.3474 1.3657 1.0078 0.9628 0.9850 1.3824 0.9363 1.4219 0.9914 1.3614 1.4495 0.9827 0.9831 1.4031 1.3877 1.4189 0.9850 1.3995 0.9703 1.4109 0.9789 1.3826 0.9746 0.9877 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 -0.036588721 -2099.168416313662 38.37588 -35.94847 2.42740 -6.45859 6.38235 -0.07624 -13.10844 10.72992 -2.37852 3.39933 8.64041