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 Cl F F F O O O 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 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 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.3614,-3.4756,.6298;-6.4254,.0422,-1.8391;-6.4817,.6135,.2229;-5.6563,1.9539,-1.2527;2.7309,.4347,-1.1361;2.8456,2.138,.8623;-1.6214,.3378,1.4564;-2.2641,-2.4236,-2.0726;4.9745,2.6656,.4142;3.9175,-.5849,.4583;-1.9454,-1.0397,-.3024;-3.5696,.5526,.3013;3.6802,1.5105,-1.2568;-.6569,-1.6096,-.0702;-4.3779,.0568,-.6919;-2.3377,-.0233,.5511;2.9836,2.552,-2.127;4.9698,1.0413,-1.9089;1.7428,-1.3907,-.0829;.4769,-.8652,-.3305;-2.6987,-1.5471,-1.3562;-4.0022,-.9479,-1.496;3.9336,2.145,.1124;-.5516,-2.9017,.4136;2.9257,-.5006,-.2179;1.8401,-2.7049,.3806;-3.9401,1.7027,1.1312;.6995,-3.4556,.6173;-5.7478,.6741,-.8883;2.9156,2.7239,2.173;3.7154,1.8953,3.1227;4.6373,2.4018,3.9295;3.6203,3.4288,-2.24;2.7955,2.1448,-3.121;2.0336,2.8718,-1.6984;5.5903,1.8979,-2.1674;5.5555,.3807,-1.2739;4.7382,.5156,-2.8354;.3746,.1439,-.7055;-4.6414,-1.337,-2.2724;-1.4377,-3.4829,.6321;-4.8151,1.4886,1.7377;-3.1202,1.9217,1.8025;-4.108,2.5833,.5181;.7847,-4.4735,.9716;1.874,2.7662,2.4932;3.2926,3.7471,2.1143;3.4701,.8386,3.1674;5.1591,1.7829,4.648;4.9039,3.4522,3.9074; 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 1768 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 244 Dim 1255 ENuc 3546.2956394769 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 6.334e-06 Time for diagonalization 0.548 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.268 sec Total time needed 0.823 sec 17 9 9 9 8 8 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.3614,-3.4756,.6298;-6.4254,.0422,-1.8391;-6.4816,.6135,.2229;-5.6563,1.9539,-1.2527;2.7309,.4347,-1.1361;2.8456,2.138,.8623;-1.6213,.3378,1.4564;-2.2641,-2.4236,-2.0726;4.9745,2.6656,.4142;3.9175,-.5849,.4583;-1.9454,-1.0397,-.3024;-3.5696,.5526,.3013;3.6802,1.5105,-1.2568;-.6569,-1.6096,-.0702;-4.3779,.0568,-.6919;-2.3377,-.0233,.5511;2.9836,2.552,-2.127;4.9698,1.0413,-1.9089;1.7428,-1.3907,-.0829;.4769,-.8652,-.3305;-2.6987,-1.5471,-1.3562;-4.0022,-.9479,-1.496;3.9336,2.145,.1124;-.5516,-2.9017,.4136;2.9257,-.5006,-.2179;1.8401,-2.7049,.3806;-3.9401,1.7027,1.1312;.6995,-3.4556,.6173;-5.7478,.6741,-.8883;2.9156,2.7239,2.1731;3.7154,1.8953,3.1227;4.6373,2.4018,3.9295;3.6203,3.4288,-2.24;2.7955,2.1448,-3.121;2.0336,2.8718,-1.6984;5.5903,1.8979,-2.1674;5.5555,.3807,-1.2739;4.7382,.5156,-2.8354;.3746,.1439,-.7055;-4.6414,-1.337,-2.2724;-1.4377,-3.4829,.6321;-4.8151,1.4886,1.7377;-3.1202,1.9217,1.8025;-4.108,2.5833,.5181;.7847,-4.4735,.9716;1.874,2.7662,2.4932;3.2926,3.7471,2.1143;3.4701,.8386,3.1674;5.1591,1.7829,4.648;4.9039,3.4522,3.9074; 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" 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.3614,-3.4756,.6298;-6.4254,.0422,-1.8391;-6.4817,.6135,.2229;-5.6563,1.9539,-1.2527;2.7309,.4347,-1.1361;2.8456,2.138,.8623;-1.6214,.3378,1.4564;-2.2641,-2.4236,-2.0726;4.9745,2.6656,.4142;3.9175,-.5849,.4583;-1.9454,-1.0397,-.3024;-3.5696,.5526,.3013;3.6802,1.5105,-1.2568;-.6569,-1.6096,-.0702;-4.3779,.0568,-.6919;-2.3377,-.0233,.5511;2.9836,2.552,-2.127;4.9698,1.0413,-1.9089;1.7428,-1.3907,-.0829;.4769,-.8652,-.3305;-2.6987,-1.5471,-1.3562;-4.0022,-.9479,-1.496;3.9336,2.145,.1124;-.5516,-2.9017,.4136;2.9257,-.5006,-.2179;1.8401,-2.7049,.3806;-3.9401,1.7027,1.1312;.6995,-3.4556,.6173;-5.7478,.6741,-.8883;2.9156,2.7239,2.173;3.7154,1.8953,3.1227;4.6373,2.4018,3.9295;3.6203,3.4288,-2.24;2.7955,2.1448,-3.121;2.0336,2.8718,-1.6984;5.5903,1.8979,-2.1674;5.5555,.3807,-1.2739;4.7382,.5156,-2.8354;.3746,.1439,-.7055;-4.6414,-1.337,-2.2724;-1.4377,-3.4829,.6321;-4.8151,1.4886,1.7377;-3.1202,1.9217,1.8025;-4.108,2.5833,.5181;.7847,-4.4735,.9716;1.874,2.7662,2.4932;3.2926,3.7471,2.1143;3.4701,.8386,3.1674;5.1591,1.7829,4.648;4.9039,3.4522,3.9074; 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 2866 GEPOL Volume 2975.7006 GEPOL Surface-area 1642.4668 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -2093.81414741 3546.29563948 -5640.10978688 -9929.85605683 4289.74626995 -0.04705445 -4180.64953880 2086.83539140 2.00334418 121.999974282286 121.999974282286 243.999948564571 -168.850894820708 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.4138 -675.9128 -675.9032 -675.8959 -524.9672 -524.8770 -523.3566 -523.2840 -523.1686 -523.1595 -394.8382 -394.5902 -287.3002 -284.2081 -283.7643 -283.5185 -283.3829 -282.5313 -282.1392 -282.0138 -281.4058 -281.2666 -280.8222 -280.6462 -280.5096 -280.4336 -280.4263 -280.3081 -279.7934 -279.5481 -279.5008 -279.3660 -260.6876 -199.5275 -199.2898 -199.2708 -39.8384 -37.2591 -37.2463 -34.2262 -33.6421 -33.3046 -32.3280 -31.4818 -31.3377 -30.4845 -29.6477 -28.0365 -26.4937 -25.9773 -25.7890 -24.9063 -24.5334 -24.2539 -23.2180 -23.0269 -22.7458 -22.1551 -21.7602 -21.5623 -21.0994 -20.4970 -20.1263 -19.9442 -19.7990 -19.7193 -19.3465 -18.6763 -18.4985 -18.1976 -17.9964 -17.2935 -16.9265 -16.7459 -16.5858 -16.5010 -16.4606 -16.3082 -16.1715 -16.0218 -15.8429 -15.7805 -15.6904 -15.4303 -15.3394 -15.2325 -15.0253 -14.9713 -14.9426 -14.8911 -14.7482 -14.7055 -14.5745 -14.5318 -14.2548 -14.1118 -14.0063 -13.9306 -13.5696 -13.4960 -13.3138 -13.2533 -13.0955 -12.8803 -12.8049 -12.5862 -12.5346 -12.3728 -12.2495 -12.1117 -11.7520 -11.3130 -11.2829 -11.1820 -10.8525 -10.6124 -10.5371 -10.4347 -9.9479 -9.7499 -9.4192 -9.3299 0.1164 0.3428 1.1149 2.0055 2.0985 2.2165 2.8820 3.1211 3.3270 3.6190 4.0712 4.1778 4.2614 4.3575 4.4399 4.6055 4.7238 4.8382 4.8522 4.9709 4.9974 5.1430 5.2323 5.3782 5.4469 5.5564 5.7344 5.9246 5.9921 6.0678 6.0915 6.1865 6.2415 6.2745 6.3188 6.4576 6.5510 6.8173 6.8540 6.8665 6.9830 7.0130 7.1084 7.2220 7.2915 7.5784 7.7122 7.8180 7.9066 8.0382 8.1922 8.2623 8.3583 8.3873 8.5035 8.6104 8.7757 8.8808 8.9377 9.0139 9.0259 9.1220 9.2359 9.2459 9.3193 9.6583 9.7509 9.8837 9.9348 10.0038 10.1254 10.1698 10.2496 10.2952 10.4914 10.5363 10.7231 10.7799 10.8443 10.9233 11.0766 11.1940 11.2813 11.3368 11.3585 11.4295 11.6112 11.6726 11.7264 11.8221 11.8695 12.0027 12.0960 12.3296 12.4147 12.6192 12.6476 12.7088 12.8494 12.9321 13.0237 13.0959 13.1786 13.2912 13.4212 13.4505 13.6497 13.8274 13.9094 13.9185 13.9732 14.0315 14.0731 14.1094 14.2863 14.3417 14.4728 14.5666 14.5933 14.6778 14.7126 14.7576 14.8444 14.9530 15.0331 15.0974 15.1743 15.2774 15.4083 15.4791 15.6453 15.6995 15.8675 15.8946 15.9418 16.2325 16.2938 16.3406 16.5392 16.6020 16.7300 16.8604 17.0450 17.2288 17.2552 17.3528 17.4637 17.5979 17.7237 17.8319 17.9946 18.0490 18.1002 18.1836 18.3140 18.4441 18.4937 18.6454 18.6749 18.7427 18.8437 19.0898 19.1113 19.4108 19.4765 19.5756 19.6209 19.8173 20.0482 20.1226 20.2547 20.4476 20.5400 20.6972 20.8532 20.8693 21.1209 21.2255 21.3950 21.4807 21.5200 21.7153 21.7431 21.8533 22.0797 22.1969 22.2706 22.3525 22.3971 22.6262 22.6941 22.7951 22.8449 22.9750 23.1803 23.2596 23.3403 23.6264 23.7520 23.9515 24.0725 24.2620 24.3150 24.3526 24.5584 24.5982 24.7101 24.7951 24.8696 25.0410 25.2184 25.4287 25.5210 25.6317 25.7768 25.8367 25.9631 26.2017 26.3092 26.4109 26.5092 26.6987 26.8921 26.9585 26.9820 27.2206 27.3937 27.4882 27.6243 27.7873 27.9049 27.9540 28.0231 28.1444 28.2364 28.4267 28.5067 28.5998 28.6860 28.9016 28.9334 29.0253 29.2386 29.3172 29.5721 29.6260 29.8497 29.9297 29.9809 30.1574 30.2871 30.3453 30.4214 30.5031 30.7917 30.9080 30.9863 31.2638 31.4031 31.5213 31.7294 31.8377 31.8594 31.9370 32.0414 32.1295 32.3551 32.4614 32.4947 32.7265 32.9106 33.0613 33.2381 33.3070 33.4139 33.5050 33.6322 33.8317 33.8699 33.9962 34.1893 34.2582 34.5815 34.7719 34.8412 35.0028 35.0440 35.2614 35.4321 35.6685 35.6782 35.8468 36.0040 36.3065 36.4359 36.6349 36.6747 36.7513 36.7916 36.9948 37.1626 37.1883 37.4266 37.5345 37.6886 37.8187 37.8951 38.0205 38.3163 38.4710 38.6169 39.0146 39.1404 39.2615 39.3246 39.5759 39.6889 39.8249 40.0218 40.2935 40.4279 40.4649 40.6237 40.6723 40.8640 41.0156 41.1587 41.2995 41.4029 41.5568 41.7417 41.8837 41.9951 42.0734 42.1920 42.2380 42.3451 42.4818 42.6516 42.7088 42.8569 42.9299 43.1041 43.2956 43.4447 43.6511 43.8425 43.9032 43.9739 44.1659 44.2413 44.4422 44.5259 44.7329 44.8162 44.8984 45.0468 45.1978 45.2620 45.3030 45.4930 45.5599 45.7418 45.7502 45.8399 46.0616 46.2554 46.3155 46.4696 46.6155 46.8144 46.9427 47.1782 47.5387 47.5621 47.7748 47.8841 48.1029 48.1413 48.3086 48.5110 48.6749 49.0222 49.0592 49.1367 49.4279 49.5770 49.7334 50.0634 50.1566 50.2733 50.4518 50.5366 50.7807 50.8906 51.1360 51.2102 51.4180 51.5231 51.6542 51.7536 51.9137 52.1427 52.4760 52.5550 52.6037 52.9175 52.9804 53.1066 53.2879 53.6156 53.7767 53.9766 54.2201 54.4902 54.6931 54.9958 55.3118 55.5310 55.5945 55.7494 55.8839 55.9866 56.4896 56.6745 56.8027 56.8557 57.2379 57.2816 57.4151 57.5856 57.8149 58.1515 58.2437 58.2996 58.5155 58.7125 59.0165 59.1832 59.2366 59.4680 59.6456 59.8392 59.9380 59.9787 60.0646 60.3418 60.4472 60.8296 61.0268 61.2699 61.4121 61.6060 61.7010 61.8906 62.0771 62.5178 62.5904 62.6647 62.7862 62.8983 63.0810 63.1152 63.2675 63.4328 63.6193 63.9226 64.2767 64.5759 64.6718 64.8742 64.9662 65.2535 65.3307 65.4839 65.7137 65.9156 65.9872 66.1633 66.3686 66.6117 66.6705 66.7485 66.9916 67.0788 67.1907 67.3061 67.5440 67.7529 67.9148 68.2145 68.4034 68.6774 69.1409 69.2976 69.7055 69.9113 70.3362 70.4127 70.5743 70.6216 71.0874 71.4619 71.6062 71.6536 71.8107 71.9794 72.2479 72.4916 72.6680 73.1646 73.4162 73.5517 73.9186 73.9361 74.1101 74.3057 74.3335 74.5215 74.5936 75.1788 75.4814 75.6650 75.7335 75.8330 75.9994 76.1611 76.5245 76.5462 76.6216 76.8084 77.1652 77.2668 77.4143 77.6088 77.6823 77.9451 78.1910 78.3566 78.4703 78.6176 78.8610 78.9868 79.0729 79.2105 79.2802 79.4643 79.4725 79.5221 79.6736 79.8671 79.9178 79.9740 80.1507 80.2258 80.3310 80.4029 80.4818 80.5668 80.6769 80.9069 80.9903 81.0812 81.1399 81.3822 81.4204 81.6101 81.6756 81.7859 81.9562 82.0651 82.1859 82.3359 82.6939 82.7738 82.9390 83.0087 83.2206 83.3374 83.5509 83.6274 83.8293 83.8677 83.9201 84.0761 84.1276 84.2154 84.5323 84.6253 84.8007 84.8279 84.8933 85.1433 85.2503 85.3337 85.4053 85.5879 85.7242 85.9885 85.9980 86.1501 86.2926 86.4311 86.5541 86.6921 86.7480 86.8305 86.9476 87.1464 87.2279 87.5415 87.6648 87.6896 87.8220 87.9127 88.0199 88.1515 88.2987 88.4722 88.5537 88.6565 88.7817 88.9706 89.1436 89.2328 89.3323 89.5407 89.7040 89.7465 89.8449 89.9665 90.1871 90.2493 90.3525 90.5724 90.6517 90.8173 90.9361 91.0044 91.2861 91.3096 91.4247 91.4660 91.7560 91.8141 91.9722 92.1547 92.2421 92.4410 92.5154 92.6598 92.7825 92.8730 92.9219 93.0390 93.4163 93.4673 93.5587 93.6412 93.8054 93.9047 94.0180 94.0416 94.1632 94.4188 94.4775 94.5734 94.6287 94.6457 94.8561 94.8917 94.9659 95.2471 95.3025 95.4195 95.5581 95.7867 95.9119 96.0101 96.3270 96.4265 96.4929 96.5909 96.8080 97.0306 97.2129 97.2588 97.3334 97.4301 97.5139 97.6352 97.7396 98.1349 98.2448 98.4999 98.5627 98.7970 98.8819 99.0520 99.1140 99.2299 99.2681 99.5660 99.7527 99.9391 99.9859 100.1015 100.2835 100.4337 100.6082 100.6927 100.8964 101.0217 101.2225 101.3517 101.4043 101.5679 101.9225 101.9965 102.3207 102.4093 102.6176 102.7966 102.8566 103.0056 103.1388 103.5330 103.6057 103.7687 104.0138 104.1147 104.1353 104.3983 104.6468 104.6953 104.8223 104.8724 105.0088 105.2357 105.4558 105.5249 105.6525 105.7789 105.8651 106.2043 106.3950 106.5318 106.6434 106.7564 106.9658 107.1089 107.2401 107.4845 107.5249 107.9931 108.1963 108.2286 108.5052 108.5317 108.7138 108.7299 108.9450 109.2487 109.4109 109.5564 109.8869 110.2186 110.2650 110.4535 110.5789 110.6605 110.8721 110.9040 110.9876 111.2507 111.3408 111.6457 111.6549 111.7901 111.9350 112.0293 112.2160 112.2736 112.4604 112.9086 113.2333 113.2964 113.3763 113.4660 113.6523 113.9093 114.0890 114.3540 114.4630 114.5544 114.8308 114.8472 115.1457 115.1938 115.2757 115.3858 115.6080 115.7162 115.8440 116.0661 116.1462 116.2851 116.3267 116.6839 116.8877 116.9660 117.1778 117.3304 117.4750 117.8089 117.8814 118.0482 118.1642 118.3066 118.4330 118.6257 118.7835 118.8945 119.0983 119.3030 119.4217 119.6639 119.8770 120.0015 120.2315 120.4867 120.7312 120.8956 120.9994 121.3270 121.5456 121.6620 121.6901 121.8061 122.0573 122.4752 122.6901 122.8734 123.1297 123.3474 123.7213 123.8516 124.1610 124.4063 124.6904 124.7855 125.6555 125.7583 125.8750 126.1919 126.5670 126.6141 126.8993 127.1008 127.3604 127.4189 127.6134 127.7577 127.9846 128.5440 128.8006 129.0190 129.2199 129.5761 129.6737 130.1393 130.5331 130.7284 130.8214 131.1695 131.3183 131.5279 131.6121 132.0293 132.6334 132.8625 132.9771 133.0267 133.2799 133.5348 133.7840 133.8244 134.0393 134.2931 135.0298 135.0594 135.5056 135.9126 135.9657 136.2183 136.2884 136.5377 136.6379 137.1936 137.4547 137.5860 138.0181 138.2170 138.4437 138.9618 139.2867 139.4709 140.2482 140.3886 140.6070 140.9934 141.1920 141.2309 141.4043 141.9269 142.5451 142.5586 142.8534 143.0811 143.2144 143.3027 143.3554 143.7028 143.7461 144.0376 144.1274 144.2718 144.6733 144.7466 144.9410 145.0211 145.3436 145.3994 145.4923 145.7258 145.9903 146.2665 146.4269 146.5430 146.8482 147.7230 147.7897 147.9025 148.1477 148.3430 148.5510 148.6980 149.0460 149.2230 149.3110 149.5888 149.7914 150.0771 150.1714 150.2256 150.3867 150.4907 150.5656 150.8024 150.9315 151.0534 151.2934 151.4150 151.7009 151.9771 152.1253 152.4360 152.8601 153.0575 153.3812 153.5862 153.7099 153.8325 154.3862 154.6772 155.2283 155.5098 155.7586 156.0568 156.3092 156.3567 156.9002 157.0490 157.1552 157.3059 157.6926 157.8250 158.1636 158.4940 158.9751 159.0934 159.3053 160.5211 160.7932 161.0818 161.3188 161.7321 161.9176 163.6365 164.1070 164.8058 165.5780 166.0836 166.9429 167.6043 168.5610 168.7935 169.1230 170.4993 171.2647 172.1581 172.2921 172.6332 173.4906 173.8540 174.6776 175.7176 175.9515 176.9596 177.3025 177.9167 178.1219 178.5127 179.0905 179.3963 179.7295 180.1675 181.0095 182.5419 183.5681 185.5583 185.9143 186.2801 186.5740 187.0105 187.4811 187.8035 187.9283 188.1061 188.1383 188.1576 188.4004 188.4522 188.6029 188.6817 188.9547 189.0177 189.2317 189.5010 191.4535 191.9454 192.1505 192.7144 192.9980 193.8341 194.3068 194.4378 194.8909 195.4197 195.6008 195.9587 196.1509 196.3206 196.5918 198.2169 198.8783 199.1745 201.2847 202.7184 203.0661 204.7750 204.9116 205.5982 206.6759 207.1516 208.2843 209.0768 210.1392 222.1315 223.6207 223.9096 227.2923 227.6779 228.3547 228.7897 230.1213 232.3708 233.4203 235.3099 238.8089 240.7471 241.8067 244.3365 245.9304 246.9507 247.2227 250.1875 251.2696 295.0822 298.2324 313.1598 615.4058 623.0477 623.5020 625.9482 626.6615 627.9735 631.9250 634.2698 636.3292 636.7536 637.8585 642.2992 643.5658 644.5110 645.6905 647.2479 647.4036 650.5242 650.6414 653.5545 715.3243 902.6337 907.2801 1199.3724 1199.5881 1200.4413 1201.6466 1210.6406 1214.3733 1557.6021 1559.7951 1565.1919 -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 Cl F F F O O O 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 H H H H H H H H H H H H H H H H H H -0.052420 -0.158911 -0.162086 -0.161419 -0.289157 -0.273490 -0.465328 -0.460257 -0.425413 -0.415680 -0.063064 -0.093779 0.319719 0.097089 0.007604 0.399424 -0.295219 -0.307329 0.070529 -0.166959 0.345875 -0.154062 0.327079 -0.187158 0.412279 0.031194 -0.209380 -0.101174 0.540453 0.066091 -0.182443 -0.254836 0.114764 0.112143 0.115043 0.106103 0.113519 0.111533 0.143092 0.138212 0.155379 0.140065 0.116594 0.140231 0.138540 0.118478 0.112185 0.138254 0.130364 0.117730 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 Cl F F F O O O 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 H H H H H H H H H H H H H H H H H H 17.0524 9.1589 9.1621 9.1614 8.2892 8.2735 8.4653 8.4603 8.4254 8.4157 7.0631 7.0938 5.6803 5.9029 5.9924 5.6006 6.2952 6.3073 5.9295 6.1670 5.6541 6.1541 5.6729 6.1872 5.5877 5.9688 6.2094 6.1012 5.4595 5.9339 6.1824 6.2548 0.8852 0.8879 0.8850 0.8939 0.8865 0.8885 0.8569 0.8618 0.8446 0.8599 0.8834 0.8598 0.8615 0.8815 0.8878 0.8617 0.8696 0.8823 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 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 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 -0.0524 -0.1589 -0.1621 -0.1614 -0.2892 -0.2735 -0.4653 -0.4603 -0.4254 -0.4157 -0.0631 -0.0938 0.3197 0.0971 0.0076 0.3994 -0.2952 -0.3073 0.0705 -0.1670 0.3459 -0.1541 0.3271 -0.1872 0.4123 0.0312 -0.2094 -0.1012 0.5405 0.0661 -0.1824 -0.2548 0.1148 0.1121 0.1150 0.1061 0.1135 0.1115 0.1431 0.1382 0.1554 0.1401 0.1166 0.1402 0.1385 0.1185 0.1122 0.1383 0.1304 0.1177 1.2661 1.1525 1.1470 1.1459 2.1592 2.1360 2.0533 2.0525 2.0941 2.0703 3.1288 3.3390 3.7666 3.6709 3.9849 4.2386 3.9212 3.9388 3.6378 4.1242 4.2111 3.8742 4.2202 4.1069 4.1804 3.9894 3.8366 3.9843 4.4076 3.8460 3.7978 3.9575 1.0063 1.0037 1.0093 1.0097 1.0172 1.0046 1.0327 1.0217 1.0026 0.9941 1.0261 0.9944 1.0106 0.9943 1.0085 1.0094 1.0019 1.0073 1.2661 1.1525 1.1470 1.1459 2.1592 2.1360 2.0533 2.0525 2.0941 2.0703 3.1288 3.3390 3.7666 3.6709 3.9849 4.2386 3.9212 3.9388 3.6378 4.1242 4.2111 3.8742 4.2202 4.1069 4.1804 3.9894 3.8366 3.9843 4.4076 3.8460 3.7978 3.9575 1.0063 1.0037 1.0093 1.0097 1.0172 1.0046 1.0327 1.0217 1.0026 0.9941 1.0261 0.9944 1.0106 0.9943 1.0085 1.0094 1.0019 1.0073 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 1.1308 1.1478 1.1315 1.1305 0.8546 1.2064 1.1944 0.8649 1.9016 1.8985 1.9779 1.8884 0.8009 1.1494 1.1003 1.1988 1.1547 0.8807 0.9337 0.9668 0.9346 1.4497 1.4127 1.6680 0.9884 0.9792 0.9875 0.9773 0.9767 0.9794 0.9904 1.4120 0.9678 1.3028 0.9596 1.1234 0.9641 1.4595 0.9723 1.4073 0.9746 0.9710 0.9732 0.9774 0.9431 0.9742 1.0045 1.9029 0.9711 0.9906 0.9980 0 25 1 28 2 28 3 28 4 12 4 24 5 22 5 29 6 15 7 20 8 22 9 24 10 13 10 15 10 20 11 14 11 15 11 26 12 16 12 17 12 22 13 19 13 23 14 21 14 28 16 32 16 33 16 34 17 35 17 36 17 37 18 19 18 24 18 25 19 38 20 21 21 39 23 27 23 40 25 27 26 41 26 42 26 43 27 44 29 30 29 45 29 46 30 31 30 47 31 48 31 49 -0.027619835 -2093.841767240323 37.07034 -40.29666 -3.22632 21.93141 -20.49212 1.43929 7.21215 -7.23377 -0.02162 3.53287 8.97983