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:-.504,2.293,-2.2159;-3.9944,.9634,1.4184;-2.8925,.3294,3.157;-3.3529,2.4066,2.8747;2.6526,-.3285,-.6937;3.7443,-.2063,1.2512;-2.4396,-1.6005,.1704;1.9203,2.2496,-.4759;4.4979,-3.1478,.0316;4.371,2.35,-.753;3.1829,1.8412,.0872;5.6792,2.187,.0115;4.4815,1.7301,-2.1418;3.2385,.3365,.3045;.7475,1.9594,.1669;2.3868,-1.7185,-.543;-.4833,1.9835,-.5088;.7014,1.6589,1.5365;1.2077,-1.9474,.3718;-1.6967,1.4783,1.4932;-1.683,1.7616,.1346;-.4933,1.4227,2.1838;-.0486,-1.6695,-.1588;1.3384,-2.373,1.686;-2.9792,1.2898,2.2257;-1.1778,-1.8563,.6234;3.5829,-2.4828,-.1771;.199,-2.531,2.4638;-1.0583,-2.2821,1.9407;-2.7634,-1.8036,-1.1481;-2.3509,-2.9338,-1.8443;-3.5868,-.8629,-1.7495;-2.7567,-3.1036,-3.1602;-3.9937,-1.052,-3.0629;-3.5763,-2.1666,-3.7762;4.1828,3.4213,-.8689;3.2962,2.2926,1.0751;5.6242,2.6353,1.0044;6.4885,2.6785,-.5287;5.9596,1.139,.1287;5.2519,2.2529,-2.709;3.5618,1.8003,-2.7242;4.7731,.6798,-2.0966;1.8749,2.2356,-1.4845;2.1241,-2.049,-1.5503;1.6077,1.6235,2.1232;-2.5984,1.8093,-.4389;-.4674,1.201,3.2424;-.1349,-1.3238,-1.1821;2.3091,-2.5946,2.1091;.2915,-2.8639,3.4887;-1.9445,-2.4269,2.5447;-1.7225,-3.6786,-1.3726;-3.9187,.0034,-1.193;-2.432,-3.9814,-3.7032;-4.6382,-.318,-3.5282;-3.8907,-2.3077,-4.8015; 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 4163.3322518114 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 4.384e-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 0.358 sec Total time needed 0.728 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:-.504,2.293,-2.2159;-3.9944,.9634,1.4184;-2.8925,.3294,3.157;-3.3529,2.4066,2.8747;2.6526,-.3285,-.6937;3.7443,-.2063,1.2512;-2.4396,-1.6005,.1704;1.9203,2.2496,-.4759;4.4979,-3.1478,.0316;4.371,2.35,-.753;3.1829,1.8412,.0872;5.6792,2.187,.0115;4.4815,1.7301,-2.1418;3.2385,.3365,.3045;.7475,1.9594,.1669;2.3868,-1.7185,-.543;-.4833,1.9835,-.5088;.7014,1.6589,1.5365;1.2077,-1.9474,.3718;-1.6967,1.4783,1.4932;-1.683,1.7616,.1346;-.4933,1.4227,2.1838;-.0486,-1.6695,-.1588;1.3384,-2.373,1.686;-2.9792,1.2898,2.2257;-1.1778,-1.8563,.6234;3.5829,-2.4828,-.1771;.199,-2.531,2.4638;-1.0583,-2.2821,1.9407;-2.7634,-1.8036,-1.1481;-2.3509,-2.9338,-1.8443;-3.5868,-.8629,-1.7495;-2.7567,-3.1036,-3.1602;-3.9937,-1.052,-3.0629;-3.5763,-2.1666,-3.7762;4.1828,3.4213,-.8689;3.2962,2.2926,1.0751;5.6242,2.6353,1.0044;6.4885,2.6785,-.5287;5.9596,1.139,.1287;5.2519,2.2529,-2.709;3.5618,1.8003,-2.7242;4.7731,.6798,-2.0966;1.8749,2.2356,-1.4845;2.1241,-2.049,-1.5503;1.6077,1.6235,2.1232;-2.5984,1.8093,-.4389;-.4674,1.201,3.2424;-.1349,-1.3238,-1.1821;2.3091,-2.5946,2.1091;.2915,-2.8639,3.4887;-1.9445,-2.4269,2.5447;-1.7225,-3.6786,-1.3726;-3.9187,.0034,-1.193;-2.432,-3.9814,-3.7032;-4.6382,-.318,-3.5282;-3.8907,-2.3077,-4.8015; 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:-.504,2.293,-2.2159;-3.9944,.9634,1.4184;-2.8925,.3294,3.157;-3.3529,2.4066,2.8747;2.6526,-.3285,-.6937;3.7443,-.2063,1.2512;-2.4396,-1.6005,.1704;1.9203,2.2496,-.4759;4.4979,-3.1478,.0316;4.371,2.35,-.753;3.1829,1.8412,.0872;5.6792,2.187,.0115;4.4815,1.7301,-2.1418;3.2385,.3365,.3045;.7475,1.9594,.1669;2.3868,-1.7185,-.543;-.4833,1.9835,-.5088;.7014,1.6589,1.5365;1.2077,-1.9474,.3718;-1.6967,1.4783,1.4932;-1.683,1.7616,.1346;-.4933,1.4227,2.1838;-.0486,-1.6695,-.1588;1.3384,-2.373,1.686;-2.9792,1.2898,2.2257;-1.1778,-1.8563,.6234;3.5829,-2.4828,-.1771;.199,-2.531,2.4638;-1.0583,-2.2821,1.9407;-2.7634,-1.8036,-1.1481;-2.3509,-2.9338,-1.8443;-3.5868,-.8629,-1.7495;-2.7567,-3.1036,-3.1602;-3.9937,-1.052,-3.0629;-3.5763,-2.1666,-3.7762;4.1828,3.4213,-.8689;3.2962,2.2926,1.0751;5.6242,2.6353,1.0044;6.4885,2.6785,-.5287;5.9596,1.139,.1287;5.2519,2.2529,-2.709;3.5618,1.8003,-2.7242;4.7731,.6798,-2.0966;1.8749,2.2356,-1.4845;2.1241,-2.049,-1.5503;1.6077,1.6235,2.1232;-2.5984,1.8093,-.4389;-.4674,1.201,3.2424;-.1349,-1.3238,-1.1821;2.3091,-2.5946,2.1091;.2915,-2.8639,3.4887;-1.9445,-2.4269,2.5447;-1.7225,-3.6786,-1.3726;-3.9187,.0034,-1.193;-2.432,-3.9814,-3.7032;-4.6382,-.318,-3.5282;-3.8907,-2.3077,-4.8015; 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 3257 GEPOL Volume 3345.6088 GEPOL Surface-area 1826.3604 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.6s -2099.11672345 4163.33225181 -6262.44897526 -11161.08717139 4898.63819613 -0.04473984 -4190.92096678 2091.80424334 2.00349578 130.000065249432 130.000065249432 260.000130498863 -173.919238884766 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 -2765.4927 -675.4130 -675.3640 -675.2769 -525.3447 -524.6939 -523.6489 -393.1054 -392.8867 -286.5355 -283.7662 -282.8879 -281.7156 -281.5658 -281.5446 -281.5305 -281.3056 -281.1540 -280.5598 -280.3781 -280.3065 -280.2048 -280.0365 -280.0083 -279.9554 -279.9362 -279.9079 -279.8788 -279.8295 -279.8148 -279.7860 -279.7366 -279.6448 -279.1728 -279.1410 -260.7609 -199.5936 -199.3611 -199.3562 -39.1742 -36.6893 -36.5634 -34.3276 -33.0058 -31.7483 -29.5738 -28.4260 -27.6468 -27.1898 -26.6765 -26.5012 -25.6350 -25.2052 -24.3129 -24.1526 -23.6998 -23.5986 -23.5316 -23.0692 -22.6940 -22.0138 -21.6473 -20.7641 -20.4192 -20.1963 -20.0496 -19.8879 -19.6552 -19.2423 -19.1624 -19.1254 -18.7536 -18.3341 -18.1124 -17.7455 -17.5172 -17.0421 -16.9243 -16.5466 -16.3545 -16.1637 -16.0518 -15.8730 -15.8434 -15.7489 -15.6081 -15.4722 -15.2397 -15.0886 -14.8785 -14.8471 -14.7165 -14.7020 -14.6753 -14.3123 -14.2899 -14.2749 -14.2304 -14.0848 -14.0403 -13.9657 -13.8723 -13.7987 -13.3001 -13.2299 -13.0956 -13.0126 -12.8652 -12.7407 -12.7235 -12.5134 -12.4487 -12.3948 -12.2679 -12.1364 -12.1152 -11.9910 -11.8646 -11.7332 -11.6497 -11.5333 -11.4337 -11.4089 -10.5306 -9.7215 -9.5148 -9.4752 -9.4219 -8.5055 -8.2446 0.8932 1.1506 1.3491 1.4307 1.6629 1.9319 2.0354 2.5681 2.7412 3.0024 3.1824 3.6773 3.7015 3.8955 3.9839 4.1816 4.4416 4.4631 4.5862 4.7275 4.8025 4.9642 4.9893 5.1271 5.2313 5.2867 5.4153 5.5167 5.6637 5.7041 5.8038 5.8983 6.0015 6.1763 6.2661 6.2696 6.3488 6.4880 6.5639 6.7182 6.7247 6.9062 6.9671 7.1238 7.1890 7.3187 7.3975 7.4842 7.6074 7.6579 7.7676 7.7960 7.8266 8.0051 8.0925 8.1372 8.2461 8.2771 8.3569 8.3810 8.4199 8.5763 8.6146 8.7682 8.9258 8.9501 8.9953 9.0447 9.1137 9.1929 9.2480 9.3813 9.5004 9.5951 9.6685 9.7456 9.8055 9.8711 10.0273 10.0551 10.0796 10.3597 10.3969 10.4537 10.5619 10.6313 10.7407 10.8193 10.8387 10.9139 11.0744 11.1279 11.2123 11.2912 11.4493 11.5018 11.5670 11.6834 11.7635 11.8023 12.0185 12.1031 12.1325 12.1865 12.3048 12.4459 12.4867 12.5578 12.6394 12.6979 12.7686 12.8829 12.9440 13.0811 13.1953 13.2806 13.3503 13.4518 13.4976 13.5717 13.5921 13.7052 13.8366 13.8810 13.9090 14.0551 14.0912 14.1330 14.2742 14.3248 14.3517 14.4154 14.5163 14.5860 14.7358 14.7810 14.8085 14.9228 15.0469 15.1043 15.1928 15.2472 15.3922 15.4698 15.5595 15.6389 15.6730 15.7793 15.8669 15.9431 16.0705 16.1203 16.2100 16.2492 16.3256 16.4707 16.5620 16.6587 16.7046 16.8077 16.8872 17.0211 17.0895 17.3405 17.4689 17.5613 17.6503 17.7942 17.8096 17.9684 18.1534 18.1907 18.2083 18.3712 18.4900 18.6118 18.7199 18.9116 18.9753 19.1741 19.1936 19.3329 19.4611 19.5608 19.6983 19.7966 19.8460 20.0254 20.1549 20.2252 20.4184 20.5112 20.6012 20.6305 20.6642 20.7942 20.8971 21.0423 21.0640 21.1444 21.2636 21.3217 21.4935 21.6039 21.6178 21.7795 21.8204 21.8427 22.0942 22.1820 22.3177 22.4186 22.5791 22.6119 22.7844 22.9114 22.9951 23.0473 23.1846 23.4249 23.4910 23.5142 23.6414 23.6942 23.8570 24.0162 24.0816 24.1203 24.3579 24.4876 24.5488 24.6300 24.7555 24.7891 24.8304 24.9177 25.1153 25.2080 25.3425 25.4677 25.5379 25.6955 25.8215 25.8961 26.0600 26.1607 26.2807 26.3094 26.4549 26.5736 26.6731 26.8844 27.0217 27.0577 27.1496 27.2618 27.4522 27.5870 27.7599 27.8968 27.9153 27.9667 28.1347 28.2284 28.3865 28.4490 28.5620 28.7098 28.8606 28.8916 29.0977 29.1433 29.2612 29.3049 29.4293 29.5000 29.5804 29.7317 29.8134 30.0020 30.0948 30.1889 30.3071 30.3889 30.5327 30.6227 30.8099 30.8803 30.9915 31.1497 31.2313 31.3675 31.4273 31.6827 31.7395 31.9392 32.0013 32.0342 32.2069 32.3569 32.4115 32.6029 32.6814 32.8294 32.9073 33.1206 33.2063 33.2950 33.4004 33.5617 33.5783 33.7491 33.9364 33.9655 34.0306 34.1458 34.2372 34.3133 34.6109 34.7965 34.9007 35.1040 35.1397 35.3250 35.3968 35.4223 35.5591 35.6770 35.6916 35.7690 35.9915 36.0841 36.2115 36.3458 36.4021 36.5277 36.7084 36.7504 36.9169 37.0299 37.1794 37.3336 37.3561 37.6187 37.7010 37.8852 37.9671 38.0004 38.1194 38.1703 38.2099 38.4303 38.5801 38.6273 38.7546 38.7948 39.0145 39.0495 39.1332 39.2513 39.5049 39.5866 39.6133 39.7571 39.8689 39.9324 40.1827 40.2205 40.3723 40.4060 40.4770 40.6398 40.7737 40.8442 41.0229 41.0884 41.1804 41.2638 41.4261 41.4625 41.5252 41.6962 41.7942 42.0116 42.1453 42.2743 42.3645 42.5087 42.6643 42.7411 42.9201 42.9858 43.0836 43.2615 43.3364 43.3698 43.5613 43.7128 43.9038 44.0022 44.1544 44.3189 44.3805 44.5565 44.7344 44.8938 44.9761 45.0543 45.1335 45.2689 45.4236 45.4442 45.6090 45.7676 45.8627 46.0917 46.1655 46.4692 46.6229 46.6673 46.7088 46.8856 46.9929 47.0898 47.3100 47.3522 47.4733 47.5270 47.6339 47.8859 47.9112 48.0285 48.1320 48.3026 48.3943 48.4704 48.6617 48.6965 48.9243 49.1367 49.1736 49.2854 49.4250 49.7386 49.8434 50.0306 50.1435 50.2995 50.3485 50.4099 50.8466 50.9161 51.0502 51.2593 51.3218 51.6084 51.8006 51.9586 51.9729 52.0972 52.1900 52.5387 52.6575 52.7788 52.8557 53.0021 53.0769 53.2735 53.3226 53.5699 53.7397 53.9824 54.0841 54.3001 54.5380 54.7011 54.8965 55.0017 55.1864 55.5135 55.5439 55.7216 55.7786 55.9157 56.1026 56.1609 56.3631 56.4051 56.6436 56.7897 56.9430 57.0732 57.2594 57.3575 57.6509 57.8119 58.0457 58.1107 58.2269 58.3763 58.5068 58.5742 59.1337 59.2041 59.2588 59.4454 59.5464 59.7326 59.8383 59.9708 60.1500 60.2621 60.4813 60.6489 60.7580 60.9150 60.9845 61.0621 61.3050 61.6376 61.9424 62.0770 62.1966 62.3447 62.4774 62.6690 62.7653 63.0258 63.4843 63.6490 63.7933 64.0247 64.0743 64.1631 64.4178 64.5031 64.5278 64.8850 64.9315 64.9932 65.3096 65.3697 65.5468 65.6647 65.7719 65.9464 66.0551 66.1285 66.3835 66.4728 66.7281 66.8271 66.8674 67.0428 67.1421 67.4032 67.5622 67.6446 67.7114 67.8935 68.1009 68.1094 68.2350 68.3886 68.5645 68.8003 68.9433 69.0730 69.2349 69.5141 69.8626 69.8881 70.1415 70.2743 70.7292 71.0913 71.1099 71.3013 71.5634 71.7583 71.9527 72.1873 72.4805 72.6497 72.7805 72.9143 73.2649 73.4523 73.6562 74.1289 74.3833 74.4252 74.7214 74.7521 75.0401 75.2083 75.4162 75.5844 75.6586 75.7133 76.0238 76.1094 76.2166 76.3162 76.4512 76.5407 76.6920 76.9465 77.0036 77.0232 77.1795 77.2911 77.5513 77.7402 77.8116 77.9778 78.1937 78.3646 78.4214 78.5539 78.7059 78.7942 78.9273 79.1396 79.1887 79.2893 79.3787 79.3923 79.5593 79.6792 79.7121 79.8558 79.9431 80.0141 80.2010 80.2924 80.4532 80.5194 80.6152 80.6913 80.9362 81.0603 81.2503 81.3504 81.5318 81.6377 81.6836 81.8370 82.0271 82.1247 82.2454 82.4782 82.5867 82.7339 82.7844 83.0279 83.2107 83.3841 83.4908 83.5346 83.6102 83.6531 83.9350 84.0024 84.1217 84.2330 84.2849 84.4248 84.5779 84.7438 84.7706 84.9195 85.0091 85.1655 85.2176 85.3051 85.3361 85.4015 85.5023 85.5746 85.6709 85.7740 85.8818 85.9081 85.9942 86.1374 86.2795 86.4255 86.4416 86.7315 86.7702 86.8790 87.0071 87.0794 87.1388 87.2597 87.3935 87.6018 87.6599 87.8098 87.9047 87.9812 88.1175 88.1514 88.2277 88.4094 88.5589 88.6172 88.7195 88.8218 88.8692 88.9873 89.0829 89.1817 89.2444 89.3193 89.5024 89.5959 89.7543 89.7576 89.9680 90.0120 90.1265 90.1658 90.3162 90.3715 90.4852 90.5314 90.7120 90.8245 90.9101 91.0397 91.2406 91.2836 91.3975 91.5486 91.6437 91.8154 91.9711 92.2106 92.2379 92.3331 92.5048 92.6238 92.6805 92.8016 92.9109 93.0062 93.0840 93.1506 93.1882 93.2693 93.3969 93.4994 93.5293 93.7020 93.7892 93.8909 94.0009 94.0953 94.2673 94.3968 94.5168 94.6327 94.7287 94.8441 94.8669 95.1275 95.1640 95.3216 95.5062 95.5616 95.6662 95.7006 95.8318 95.9430 96.0812 96.1002 96.2243 96.3353 96.4624 96.6319 96.7493 96.9066 96.9764 97.1261 97.2534 97.2971 97.3972 97.4401 97.5770 97.6322 97.7019 97.8885 97.9892 98.0909 98.1741 98.3227 98.4192 98.5748 98.6693 98.9319 98.9946 99.0323 99.1722 99.2344 99.4460 99.5565 99.7022 99.7973 99.8947 100.0130 100.1071 100.1601 100.3724 100.4053 100.6783 100.8640 101.0131 101.2532 101.5076 101.5720 101.6795 101.7087 102.0630 102.1917 102.4188 102.4975 102.5928 102.7769 103.0088 103.1010 103.2577 103.4719 103.5573 103.6639 103.7790 104.0249 104.2289 104.3273 104.4669 104.5740 104.6118 104.8558 104.9632 105.0731 105.1451 105.2364 105.3364 105.4727 105.5213 105.5992 105.8232 105.8779 106.0131 106.1900 106.2228 106.2768 106.5206 106.6936 106.7649 107.0000 107.0577 107.1632 107.3939 107.5152 107.5985 107.6444 107.7625 107.9046 107.9746 108.0354 108.2120 108.3035 108.5050 108.5578 108.7148 108.8250 109.1658 109.2783 109.3590 109.5271 109.6625 110.0652 110.1562 110.1703 110.2647 110.4081 110.5780 110.6907 110.7653 110.9385 111.0926 111.2146 111.3430 111.4682 111.6004 111.7301 111.8713 112.0669 112.1761 112.2861 112.3824 112.5265 112.6620 112.7315 112.8718 113.1456 113.2266 113.3918 113.6071 113.6632 113.9321 114.2382 114.4391 114.5097 114.5953 114.7093 114.8235 115.0071 115.1026 115.1294 115.3798 115.4330 115.5680 115.7931 115.8664 115.9863 116.1595 116.3569 116.5516 116.5957 116.7028 116.9129 116.9855 117.1904 117.3170 117.5130 117.5444 117.6869 117.6932 117.8521 117.9909 118.2225 118.2853 118.3863 118.4637 118.6110 118.6822 118.8536 118.9311 118.9572 119.0481 119.1966 119.2764 119.3978 119.5222 119.5620 119.6110 119.7237 119.9896 120.0598 120.3114 120.3950 120.5251 120.6066 120.6873 120.8288 121.0486 121.0812 121.3538 121.4792 121.6149 121.9038 122.0334 122.1046 122.2349 122.5963 122.7441 123.0133 123.1276 123.2139 123.3231 123.7829 124.1629 124.3135 124.5274 124.7002 124.9028 125.0307 125.5408 125.6352 125.8742 125.9521 126.1097 126.3209 126.4623 126.6638 126.9347 127.0508 127.2222 127.6092 127.7045 128.1813 128.3691 128.5153 128.7062 129.0656 129.1541 129.3602 129.4066 129.4531 129.5109 129.8516 130.1141 130.1832 130.4104 130.4997 130.7096 131.0488 131.0941 131.2881 131.3246 131.5158 131.5551 131.6596 131.8238 132.0714 132.3766 132.6080 132.7049 132.7772 132.9376 133.0958 133.3181 133.4485 133.6762 134.0124 134.1125 134.3985 134.7255 135.2177 135.2909 135.4507 135.7234 135.9526 136.0868 136.3873 136.5788 136.8207 136.9138 137.3758 137.5387 137.7879 137.9301 138.1777 138.3116 138.5808 138.7195 138.7887 139.1085 139.4023 139.7556 140.0225 140.3420 140.4475 140.8008 141.2271 141.4100 141.5205 141.5762 141.8239 142.3120 142.5973 142.8823 143.1845 143.7049 143.7814 144.0611 144.2801 144.4713 144.5044 144.6497 144.9214 145.1079 145.5673 145.6915 145.8282 146.0141 146.3607 146.4856 146.6649 146.7201 147.1649 147.4595 147.7919 147.9631 148.1616 148.2315 148.2866 148.5220 148.7431 148.7858 149.1341 149.2022 149.4381 149.6057 149.8393 150.2092 150.2716 150.4380 150.5971 150.7759 150.9292 151.3574 151.8493 152.0485 152.5838 152.7849 152.8196 153.0285 153.4565 153.7692 154.0416 154.6422 154.7425 154.8174 155.3941 155.5751 155.7088 156.0352 156.1900 156.6019 156.8071 156.8923 157.3560 157.5488 157.5994 158.0415 158.1188 158.4024 158.9483 159.2885 159.3550 159.5156 160.2462 160.6707 160.8277 161.1015 161.4779 161.7385 161.8940 162.4059 163.0046 163.2082 163.4349 163.9469 164.3698 165.4551 167.1487 167.4343 168.8504 169.8120 170.7492 171.8547 171.9527 172.6503 172.9275 173.3610 174.6161 175.2650 176.6616 177.5583 178.2280 178.8106 180.4869 181.0205 182.1878 186.3448 186.6166 186.9205 187.6364 187.8886 188.2218 188.7067 188.7967 188.8835 189.1231 189.1817 189.2072 189.2848 189.6792 189.7374 190.3978 192.0062 192.3052 192.7174 192.8196 193.2279 194.8187 195.0303 195.5046 195.7758 196.1731 196.8108 199.0854 202.8185 202.9430 203.3261 205.0028 205.1431 206.5160 207.7656 208.4201 209.5673 210.1167 222.0001 224.2671 224.6557 228.1301 228.2651 228.8593 229.2147 230.1582 233.1052 233.4640 235.9990 238.9293 241.0224 241.3209 244.5002 246.2272 247.8335 248.7298 250.4369 252.4877 295.5603 299.0951 313.4221 618.1932 619.6761 623.3730 625.8546 630.0979 631.1046 631.7781 633.1149 633.7572 634.4770 634.8774 634.9746 635.2986 635.8537 636.5474 636.9344 637.5563 637.9633 638.9209 641.6835 643.9139 646.6418 650.2387 654.8341 657.5508 658.2139 716.2711 878.1071 904.8296 1202.7309 1213.3309 1217.7957 1559.3242 1562.3374 1563.4759 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 -0.096950 -0.182209 -0.187190 -0.187631 -0.264347 -0.426767 -0.334389 -0.239048 -0.093723 0.061378 0.151017 -0.315426 -0.294666 0.312753 0.166720 0.427519 0.013107 -0.185274 0.007802 -0.022714 -0.158993 -0.222806 -0.256691 -0.183849 0.563564 0.337945 -0.235756 -0.117234 -0.277669 0.328393 -0.205341 -0.280256 -0.146640 -0.127268 -0.189113 0.060538 0.131298 0.100475 0.100314 0.086005 0.103178 0.093766 0.084685 0.160286 0.144955 0.142301 0.135740 0.144551 0.139231 0.138185 0.161034 0.142359 0.156752 0.150484 0.162625 0.161854 0.161136 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 17.0969 9.1822 9.1872 9.1876 8.2643 8.4268 8.3344 7.2390 7.0937 5.9386 5.8490 6.3154 6.2947 5.6872 5.8333 5.5725 5.9869 6.1853 5.9922 6.0227 6.1590 6.2228 6.2567 6.1838 5.4364 5.6621 6.2358 6.1172 6.2777 5.6716 6.2053 6.2803 6.1466 6.1273 6.1891 0.9395 0.8687 0.8995 0.8997 0.9140 0.8968 0.9062 0.9153 0.8397 0.8550 0.8577 0.8643 0.8554 0.8608 0.8618 0.8390 0.8576 0.8432 0.8495 0.8374 0.8381 0.8389 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 -0.0969 -0.1822 -0.1872 -0.1876 -0.2643 -0.4268 -0.3344 -0.2390 -0.0937 0.0614 0.1510 -0.3154 -0.2947 0.3128 0.1667 0.4275 0.0131 -0.1853 0.0078 -0.0227 -0.1590 -0.2228 -0.2567 -0.1838 0.5636 0.3379 -0.2358 -0.1172 -0.2777 0.3284 -0.2053 -0.2803 -0.1466 -0.1273 -0.1891 0.0605 0.1313 0.1005 0.1003 0.0860 0.1032 0.0938 0.0847 0.1603 0.1450 0.1423 0.1357 0.1446 0.1392 0.1382 0.1610 0.1424 0.1568 0.1505 0.1626 0.1619 0.1611 1.2326 1.1122 1.1058 1.1009 2.1528 2.0717 2.0375 3.2265 3.1060 3.8504 3.8706 3.9409 3.9459 4.1214 3.8407 3.8803 3.8500 3.8491 3.6282 3.5135 4.0109 4.0381 3.9679 3.9347 4.4028 3.5227 4.0491 3.9200 4.0133 3.6498 3.9216 3.9656 3.8865 3.9067 3.9087 1.0201 1.0048 1.0039 1.0014 1.0082 1.0034 1.0087 1.0095 1.0408 0.9950 1.0147 1.0152 1.0136 1.0122 1.0191 0.9886 1.0151 0.9974 1.0123 0.9890 0.9895 0.9892 1.2326 1.1122 1.1058 1.1009 2.1528 2.0717 2.0375 3.2265 3.1060 3.8504 3.8706 3.9409 3.9459 4.1214 3.8407 3.8803 3.8500 3.8491 3.6282 3.5135 4.0109 4.0381 3.9679 3.9347 4.4028 3.5227 4.0491 3.9200 4.0133 3.6498 3.9216 3.9656 3.8865 3.9067 3.9087 1.0201 1.0048 1.0039 1.0014 1.0082 1.0034 1.0087 1.0095 1.0408 0.9950 1.0147 1.0152 1.0136 1.0122 1.0191 0.9886 1.0151 0.9974 1.0123 0.9890 0.9895 0.9892 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.0620 1.1145 1.1119 1.1327 1.1500 0.8794 1.9132 0.1127 0.8993 0.9595 0.9592 1.2216 0.9622 3.0522 0.9286 0.9222 0.9376 1.0082 0.9001 1.0087 0.9969 0.9946 0.9816 0.9932 0.9922 0.9807 1.2404 1.2440 0.9546 0.9220 0.9482 1.4402 1.4770 0.9927 1.3509 1.3324 1.3194 1.3175 1.0039 0.9941 1.0036 1.3438 0.9845 1.4393 0.9804 1.3408 1.4375 0.9855 1.0023 1.3476 1.3532 1.4248 0.9794 1.4386 0.9790 1.4114 0.9776 1.4090 0.9786 0.9839 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 -0.040619571 -2099.157343017340 34.39645 -34.33686 0.05959 -4.50300 5.53526 1.03226 -15.95325 14.12161 -1.83164 2.10333 5.34625