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:.7897,4.8734,-.3226;-4.6154,2.8131,-.8542;-3.7204,3.5899,-2.6458;-3.9855,1.4678,-2.4025;2.8075,-1.1659,.3402;2.2604,.3299,-1.2285;-1.2646,-4.291,.4358;1.4661,2.164,.678;4.6266,-3.931,.3695;3.3195,1.2017,1.972;2.0634,.9374,1.1134;4.4749,1.8009,1.1761;2.9708,2.0638,3.1798;2.3822,.0341,-.0732;.2407,2.2506,.0966;3.0122,-2.1557,-.6619;-.2265,3.4691,-.4298;-.6362,1.1588,.0071;1.7137,-2.808,-1.0765;-2.2972,2.485,-1.1281;-1.4605,3.59,-1.0338;-1.8748,1.276,-.5881;.8108,-3.2162,-.1024;1.4446,-3.0173,-2.4216;-3.6446,2.5922,-1.7571;-.3691,-3.8346,-.4901;3.9166,-3.1394,-.0639;.2666,-3.6507,-2.7914;-.648,-4.0557,-1.8318;-1.6522,-3.4499,1.4458;-1.9701,-2.1196,1.201;-1.7652,-3.9837,2.721;-2.3979,-1.3199,2.2507;-2.2055,-3.1747,3.7598;-2.5165,-1.8412,3.5324;3.6393,.2264,2.3466;1.3571,.3906,1.7493;4.7814,1.1716,.3381;5.3469,1.913,1.8218;4.2461,2.7935,.781;2.7053,3.0839,2.8969;3.8273,2.1255,3.8531;2.1363,1.6448,3.7451;2.0943,2.9387,.5328;3.5216,-1.7368,-1.5356;-.3524,.1934,.4025;-1.7554,4.5535,-1.4285;-2.5051,.3975,-.6357;1.0246,-3.0668,.9499;2.1501,-2.6925,-3.1758;.0501,-3.8171,-3.8384;-1.5728,-4.5404,-2.1184;-1.897,-1.7116,.2002;-1.5137,-5.0222,2.897;-2.6474,-.2836,2.0604;-2.2953,-3.591,4.7549;-2.8536,-1.2131,4.3465; 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 3937.6317775825 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 5.332e-06 Time for diagonalization 0.457 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.430 sec Total time needed 0.898 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:.7897,4.8734,-.3226;-4.6154,2.8131,-.8542;-3.7204,3.5899,-2.6458;-3.9855,1.4678,-2.4025;2.8075,-1.1659,.3402;2.2604,.3299,-1.2285;-1.2646,-4.291,.4358;1.4661,2.164,.678;4.6266,-3.931,.3695;3.3195,1.2017,1.972;2.0634,.9374,1.1134;4.4749,1.8009,1.1761;2.9708,2.0638,3.1798;2.3822,.0341,-.0732;.2407,2.2506,.0966;3.0122,-2.1557,-.6619;-.2265,3.4691,-.4298;-.6362,1.1588,.0071;1.7137,-2.808,-1.0765;-2.2972,2.485,-1.1281;-1.4605,3.59,-1.0338;-1.8748,1.276,-.5881;.8108,-3.2162,-.1024;1.4446,-3.0173,-2.4216;-3.6446,2.5922,-1.7571;-.3691,-3.8346,-.4901;3.9166,-3.1394,-.0639;.2666,-3.6507,-2.7914;-.648,-4.0557,-1.8318;-1.6522,-3.4499,1.4458;-1.9701,-2.1196,1.201;-1.7652,-3.9837,2.721;-2.3979,-1.3199,2.2507;-2.2055,-3.1747,3.7598;-2.5165,-1.8412,3.5324;3.6393,.2264,2.3466;1.3571,.3906,1.7493;4.7814,1.1716,.3381;5.3469,1.913,1.8218;4.2461,2.7935,.781;2.7053,3.0839,2.8969;3.8273,2.1255,3.8531;2.1363,1.6448,3.7451;2.0943,2.9387,.5328;3.5216,-1.7368,-1.5356;-.3524,.1934,.4025;-1.7554,4.5535,-1.4285;-2.5051,.3975,-.6357;1.0246,-3.0668,.9499;2.1501,-2.6925,-3.1758;.0501,-3.8171,-3.8384;-1.5728,-4.5404,-2.1184;-1.897,-1.7116,.2002;-1.5137,-5.0222,2.897;-2.6474,-.2836,2.0604;-2.2953,-3.591,4.7549;-2.8536,-1.2131,4.3465; 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:.7897,4.8734,-.3226;-4.6154,2.8131,-.8542;-3.7204,3.5899,-2.6458;-3.9855,1.4678,-2.4025;2.8075,-1.1659,.3402;2.2604,.3299,-1.2285;-1.2646,-4.291,.4358;1.4661,2.164,.678;4.6266,-3.931,.3695;3.3195,1.2017,1.972;2.0634,.9374,1.1134;4.4749,1.8009,1.1761;2.9708,2.0638,3.1798;2.3822,.0341,-.0732;.2407,2.2506,.0966;3.0122,-2.1557,-.6619;-.2265,3.4691,-.4298;-.6362,1.1588,.0071;1.7137,-2.808,-1.0765;-2.2972,2.485,-1.1281;-1.4605,3.59,-1.0338;-1.8748,1.276,-.5881;.8108,-3.2162,-.1024;1.4446,-3.0173,-2.4216;-3.6446,2.5922,-1.7571;-.3691,-3.8346,-.4901;3.9166,-3.1394,-.0639;.2666,-3.6507,-2.7914;-.648,-4.0557,-1.8318;-1.6522,-3.4499,1.4458;-1.9701,-2.1196,1.201;-1.7652,-3.9837,2.721;-2.3979,-1.3199,2.2507;-2.2055,-3.1747,3.7598;-2.5165,-1.8412,3.5324;3.6393,.2264,2.3466;1.3571,.3906,1.7493;4.7814,1.1716,.3381;5.3469,1.913,1.8218;4.2461,2.7935,.781;2.7053,3.0839,2.8969;3.8273,2.1255,3.8531;2.1363,1.6448,3.7451;2.0943,2.9387,.5328;3.5216,-1.7368,-1.5356;-.3524,.1934,.4025;-1.7554,4.5535,-1.4285;-2.5051,.3975,-.6357;1.0246,-3.0668,.9499;2.1501,-2.6925,-3.1758;.0501,-3.8171,-3.8384;-1.5728,-4.5404,-2.1184;-1.897,-1.7116,.2002;-1.5137,-5.0222,2.897;-2.6474,-.2836,2.0604;-2.2953,-3.591,4.7549;-2.8536,-1.2131,4.3465; 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 3300 GEPOL Volume 3355.2139 GEPOL Surface-area 1871.0751 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2099.13321258 3937.63177758 -6036.76499017 -10708.56427651 4671.79928634 -0.03938078 -4190.90213683 2091.76892425 2.00352060 130.000232360674 130.000232360674 260.000464721349 -173.906801283454 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 -2765.4719 -675.3716 -675.3284 -675.2501 -525.3756 -524.6287 -523.6263 -393.1189 -392.9689 -286.5136 -283.7433 -282.9337 -281.7194 -281.5755 -281.5700 -281.5124 -281.3045 -281.2666 -280.6082 -280.3913 -280.2849 -280.2097 -280.0987 -280.0838 -280.0307 -279.9771 -279.9471 -279.9246 -279.8685 -279.8554 -279.8110 -279.7664 -279.6764 -279.2821 -279.2102 -260.7406 -199.5732 -199.3398 -199.3369 -39.1431 -36.6492 -36.5360 -34.3266 -33.0074 -31.7981 -29.5770 -28.5088 -27.6277 -27.2493 -26.7020 -26.4753 -25.7542 -25.2367 -24.2781 -24.1765 -23.7297 -23.6750 -23.5085 -23.1412 -22.7479 -21.9786 -21.8139 -20.7114 -20.4150 -20.1739 -20.0804 -19.7622 -19.3817 -19.1702 -19.1280 -19.1047 -18.6043 -18.3534 -18.2391 -18.0210 -17.8772 -17.0331 -16.9488 -16.5334 -16.4795 -16.1815 -16.1530 -15.8879 -15.8204 -15.7818 -15.7097 -15.3919 -15.2514 -15.0828 -14.9976 -14.7951 -14.7455 -14.7175 -14.6363 -14.4375 -14.4006 -14.2983 -14.2468 -14.1285 -14.0428 -13.9943 -13.8309 -13.6391 -13.4210 -13.3370 -13.1099 -12.9676 -12.9228 -12.7766 -12.7489 -12.6131 -12.4638 -12.4067 -12.3811 -12.1963 -12.0591 -12.0194 -11.7656 -11.7124 -11.6345 -11.5568 -11.4454 -11.3958 -10.7530 -9.7573 -9.5443 -9.4752 -9.4190 -8.6200 -8.1841 0.8573 1.2685 1.3629 1.4125 1.6192 1.8720 1.9445 2.4624 2.9352 2.9767 3.0362 3.5111 3.6145 3.7442 4.1392 4.1969 4.3124 4.4461 4.4925 4.6243 4.8304 4.9437 5.0144 5.0807 5.1429 5.2614 5.3682 5.4508 5.5609 5.6427 5.7537 5.8435 6.0129 6.0764 6.1492 6.2261 6.3110 6.3781 6.4708 6.5900 6.6284 6.7797 6.9079 6.9980 7.0574 7.1111 7.1960 7.3860 7.5301 7.6006 7.6521 7.7144 7.8351 7.8886 7.9083 7.9344 8.0374 8.1518 8.2352 8.3494 8.4272 8.4794 8.5735 8.6381 8.6750 8.7070 8.7862 8.9531 9.0312 9.1365 9.2427 9.2726 9.3769 9.4623 9.5343 9.7054 9.7384 9.7454 9.7892 9.8509 10.0132 10.1418 10.1911 10.2401 10.4099 10.5359 10.6193 10.7594 10.8195 10.9115 11.0081 11.1075 11.1925 11.2677 11.2965 11.3635 11.4343 11.4906 11.5660 11.7403 11.7673 11.8735 11.9578 11.9987 12.1212 12.1436 12.1873 12.3737 12.4633 12.5559 12.7296 12.7779 12.8046 12.8993 12.9949 13.0278 13.0826 13.1619 13.3902 13.4172 13.5277 13.5718 13.7096 13.7465 13.7975 13.8707 13.9520 14.0058 14.0481 14.1257 14.2241 14.3003 14.3511 14.4125 14.5354 14.6010 14.6806 14.7589 14.8445 14.9569 15.0362 15.1342 15.1589 15.2208 15.2957 15.3940 15.5235 15.5401 15.6094 15.7523 15.8209 15.8713 15.8814 16.0623 16.1696 16.2820 16.3350 16.4395 16.5085 16.7097 16.7947 16.8157 16.8944 17.0591 17.2121 17.2247 17.3142 17.4556 17.6654 17.8331 17.8694 17.9290 18.0231 18.1720 18.3383 18.4006 18.4960 18.5815 18.6745 18.7284 18.8148 18.9958 19.0595 19.3624 19.3977 19.5143 19.6738 19.7555 19.8557 20.0157 20.1073 20.2286 20.3423 20.4454 20.5452 20.5947 20.7305 20.7808 20.8908 20.9908 21.0571 21.1167 21.1559 21.2535 21.4079 21.4525 21.6705 21.7715 21.8312 21.9116 22.0131 22.0544 22.1480 22.2372 22.2964 22.4205 22.5171 22.5713 22.7237 22.7646 22.9267 22.9643 23.0769 23.2744 23.4022 23.4831 23.6335 23.6931 23.8376 24.1166 24.1907 24.2781 24.3689 24.4159 24.4761 24.5588 24.6528 24.7377 24.8507 24.8949 25.0067 25.1165 25.1853 25.3305 25.4427 25.5718 25.6630 25.6888 25.8157 25.9672 26.0626 26.1426 26.4330 26.5560 26.6684 26.9429 26.9858 27.0591 27.2314 27.3855 27.4195 27.5283 27.6399 27.7948 27.8848 27.9958 28.1242 28.2149 28.4075 28.4894 28.5850 28.7628 28.8027 29.0355 29.1154 29.1514 29.2896 29.3776 29.4688 29.5257 29.5812 29.7506 29.7899 29.8376 29.9972 30.1734 30.2758 30.3423 30.4378 30.5741 30.5919 30.7785 30.8181 30.9498 31.0495 31.3721 31.4729 31.5412 31.6296 31.7690 32.0872 32.1303 32.2690 32.3463 32.5099 32.7277 32.7708 32.8589 32.9244 33.1017 33.2042 33.2751 33.4832 33.4939 33.5961 33.8124 33.8861 34.0614 34.1669 34.3299 34.3815 34.4883 34.5217 34.6407 34.9364 35.0143 35.1576 35.2028 35.2387 35.4622 35.5556 35.7704 35.7912 35.8354 36.0511 36.2265 36.3288 36.5647 36.6055 36.8323 36.9010 37.0231 37.1192 37.1870 37.2895 37.3874 37.4931 37.6606 37.7893 37.9506 38.0376 38.1293 38.1975 38.2972 38.4592 38.5808 38.6432 38.7404 38.8022 38.8874 38.9834 39.1141 39.2293 39.2818 39.4417 39.5222 39.6110 39.7129 39.9054 39.9349 40.1692 40.2441 40.3366 40.4710 40.5031 40.5930 40.6311 40.8838 41.0218 41.2019 41.2397 41.4294 41.5675 41.6858 41.8165 41.8507 42.1061 42.2428 42.3071 42.3785 42.5123 42.6820 42.7087 42.8136 42.9203 43.0662 43.1970 43.4484 43.5326 43.6177 43.8213 43.8654 43.8951 44.1330 44.3308 44.3939 44.5343 44.6199 44.6808 44.7644 45.0251 45.1560 45.3315 45.3496 45.5180 45.5981 45.7536 45.8215 45.9789 46.1203 46.2289 46.2875 46.5261 46.5862 46.7199 46.8319 47.0009 47.2503 47.3701 47.5037 47.5265 47.5998 47.6875 47.8224 48.0248 48.1234 48.2367 48.3302 48.4966 48.5749 48.7346 48.8732 48.9843 49.0359 49.3675 49.4714 49.6054 49.7436 50.0002 50.0313 50.1724 50.3564 50.4986 50.6749 50.7716 50.8843 51.0475 51.1727 51.4656 51.5792 51.6700 51.9451 52.1177 52.2920 52.4204 52.5174 52.6925 52.8114 53.1136 53.1833 53.2886 53.4473 53.6492 53.7436 53.8662 53.9768 54.1893 54.5487 54.7915 55.0025 55.3573 55.4568 55.6181 55.6655 55.7220 55.9052 56.0698 56.1503 56.3729 56.5679 56.6363 56.6989 56.8531 57.0171 57.1245 57.2719 57.3440 57.6614 57.6893 58.0158 58.0601 58.1554 58.3698 58.4510 58.5610 58.7741 58.8283 59.1196 59.1988 59.3951 59.5820 59.7093 59.7675 60.0700 60.1689 60.3751 60.4971 60.6125 60.7227 60.7993 60.9342 61.3166 61.7147 61.7956 62.1942 62.3417 62.5536 62.8889 62.9906 63.2009 63.2592 63.3208 63.5348 63.7576 63.8342 63.9770 64.1789 64.3169 64.5357 64.8591 64.9951 65.0060 65.0727 65.2140 65.3493 65.4717 65.7861 65.8878 66.0280 66.1446 66.2727 66.4496 66.6218 66.8112 66.9360 66.9842 67.3328 67.3824 67.4793 67.6488 67.9513 68.0701 68.1477 68.2282 68.4397 68.6403 68.7411 68.9591 69.1945 69.4051 69.5035 69.7160 69.9359 70.2026 70.3808 70.5108 70.8660 71.0318 71.1067 71.3647 71.6824 71.9857 72.2348 72.3431 72.4632 72.5728 72.6099 72.9029 72.9979 73.7910 74.0130 74.0821 74.2997 74.4052 74.6241 74.8930 75.0290 75.1592 75.2610 75.3915 75.5636 75.7289 75.8712 75.9484 76.2129 76.3958 76.5012 76.5634 76.7650 76.8726 77.0956 77.2202 77.3310 77.4421 77.6270 77.6848 77.7632 77.8901 78.2158 78.4349 78.6057 78.6827 78.7898 78.8847 78.9402 79.1315 79.1540 79.3211 79.3733 79.4833 79.5107 79.6746 79.7662 79.8951 79.9831 80.0593 80.1052 80.2935 80.3710 80.4371 80.6096 80.8251 80.8760 80.9786 81.1036 81.2123 81.3598 81.5542 81.6078 81.7934 81.8688 82.0379 82.2932 82.3928 82.4519 82.5254 82.6978 82.8264 82.9552 83.0542 83.1048 83.3794 83.4470 83.5220 83.5364 83.6511 83.7253 83.7980 83.9636 84.0319 84.1448 84.2747 84.4404 84.5447 84.7330 84.8079 84.9846 85.0742 85.1492 85.2960 85.3890 85.4932 85.5774 85.6609 85.7647 85.8444 85.9254 86.0188 86.0473 86.1586 86.2676 86.3834 86.5105 86.6102 86.7124 86.8666 86.9435 87.0688 87.2207 87.2816 87.4468 87.5940 87.6620 87.7122 87.9209 88.0574 88.1628 88.4164 88.5322 88.5591 88.6704 88.6956 88.8335 88.9392 88.9623 89.0959 89.1994 89.2758 89.3308 89.3806 89.4332 89.6997 89.7308 89.8374 89.9875 90.0947 90.1940 90.3320 90.4145 90.5605 90.6160 90.7739 90.8049 90.8395 90.9437 90.9899 91.1906 91.2699 91.3260 91.4282 91.5696 91.7361 91.9764 92.0215 92.2093 92.2825 92.4805 92.5987 92.6151 92.7567 92.7946 92.8243 92.8936 93.0703 93.2308 93.3576 93.4335 93.4484 93.5316 93.6215 93.7461 93.7974 93.9914 94.0770 94.2266 94.3859 94.5368 94.6628 94.8057 94.9399 94.9721 95.0427 95.1089 95.3533 95.4791 95.6283 95.7112 95.8150 95.9288 96.0143 96.0871 96.2393 96.2668 96.4404 96.5509 96.7701 96.8272 96.8666 97.0245 97.0984 97.2789 97.3377 97.4702 97.6030 97.7402 97.9151 97.9836 98.1343 98.2113 98.2873 98.4718 98.5587 98.6325 98.7755 98.8549 98.9705 98.9997 99.2099 99.3401 99.4069 99.7327 99.7563 99.8375 99.9995 100.1373 100.3249 100.3711 100.4611 100.6721 100.7568 100.9715 101.2110 101.4170 101.6367 101.6980 101.7790 101.9942 102.1064 102.2026 102.2923 102.5202 102.6101 102.8773 102.9544 103.4228 103.5734 103.6693 103.7480 103.8337 104.0735 104.1273 104.3433 104.4375 104.6197 104.7778 104.8856 104.9752 105.1359 105.1664 105.2560 105.3916 105.4335 105.6854 105.7689 105.9454 106.0350 106.0951 106.2653 106.2844 106.4452 106.5205 106.7892 106.8621 106.9633 107.2622 107.2693 107.3609 107.4237 107.6148 107.6714 107.8432 108.0696 108.1977 108.3586 108.4974 108.6133 108.8217 108.9485 109.0204 109.1411 109.3162 109.4906 109.6110 109.7609 109.7848 109.8858 110.0467 110.1418 110.2113 110.3759 110.4782 110.5504 110.6705 110.8366 111.0641 111.1417 111.2644 111.3977 111.4873 111.5759 111.6864 111.8026 112.0323 112.1340 112.2608 112.4684 112.5915 112.8408 113.0535 113.2057 113.5341 113.6387 113.7562 113.8596 114.0946 114.2296 114.3095 114.3847 114.5864 114.6167 114.7609 114.8683 115.0264 115.1244 115.1415 115.3162 115.5889 115.7115 115.7739 115.9335 116.0595 116.3607 116.4117 116.5527 116.6743 116.9773 117.0254 117.2731 117.3394 117.4995 117.5286 117.6074 117.7823 117.8020 117.8624 118.0122 118.0988 118.3335 118.4388 118.5507 118.7205 118.7902 118.8631 118.9725 119.0324 119.0821 119.2427 119.2699 119.3704 119.6942 119.7986 119.8168 120.0050 120.1769 120.4245 120.4819 120.5745 120.7357 120.8378 121.0166 121.1088 121.3284 121.5643 121.7038 121.7526 121.9055 122.3412 122.5097 122.5770 122.8915 122.9992 123.1004 123.3345 123.5805 123.7721 124.0329 124.4474 124.7173 125.0193 125.1417 125.3444 125.5614 125.7019 126.1964 126.2815 126.3654 126.5650 126.6718 126.8933 127.0449 127.2314 127.5150 127.7994 127.8884 127.9237 128.2684 128.4985 128.5959 128.7842 129.2669 129.3102 129.4979 129.5730 129.6353 129.8509 130.1053 130.2339 130.3990 130.6085 130.6979 130.7540 131.0880 131.1695 131.3565 131.6927 131.7731 131.8251 131.9720 132.1927 132.3472 132.4775 132.6016 132.7343 132.9153 133.0080 133.1547 133.4618 133.5697 134.3015 134.3836 134.5251 134.7263 134.9666 135.1536 135.5968 135.7208 135.9454 136.0032 136.2982 136.4460 136.7240 136.9137 137.1420 137.3340 137.5371 137.7836 137.8781 138.2422 138.3842 138.6729 138.7998 138.9204 139.0634 139.7179 139.7954 140.0193 140.4228 140.7651 141.0407 141.5092 141.8806 142.0879 142.3387 142.6782 142.7083 142.9682 143.2400 143.5715 143.7648 144.2216 144.5823 144.7015 144.8633 145.0400 145.0690 145.3778 145.5804 145.9408 145.9719 146.1838 146.2762 146.5435 146.7114 147.3690 147.5050 147.7632 147.9678 148.1011 148.1394 148.2783 148.2800 148.7416 148.8747 149.0710 149.2565 149.5739 149.6168 149.7414 150.1076 150.3281 150.3497 150.4171 150.7903 151.2555 151.3472 151.7005 151.8996 152.0880 152.3957 152.9461 153.1126 153.4030 153.4735 154.1898 154.4120 154.6950 154.9708 155.0962 155.2733 155.7258 155.8145 155.8667 156.1591 156.7331 156.9934 157.4090 157.4409 157.4900 157.8943 158.2421 158.4201 158.6530 159.2064 159.2456 159.7116 160.1248 160.3217 160.7134 161.0097 161.0717 161.7629 162.0434 162.3704 162.7329 162.8473 163.7917 164.1613 164.3355 165.5610 167.0337 167.3957 168.4349 169.4192 170.0653 171.5410 172.2953 172.4183 173.4897 173.7313 174.5176 174.6001 176.5610 177.5789 177.8159 178.9448 179.9779 180.6181 181.5409 185.4926 186.2235 186.7396 187.0259 187.3344 187.6200 188.7190 188.8042 188.8846 189.1222 189.1627 189.2064 189.2951 189.5067 189.6623 189.7333 191.4411 192.1964 192.4293 192.8065 193.0957 193.8141 194.8485 195.4373 196.1311 196.4770 196.8021 198.7400 201.7233 202.7939 203.2369 204.8760 205.0787 205.7730 206.5497 207.4926 209.6348 210.0246 221.7927 223.6512 224.1852 228.0272 228.1380 228.6201 229.2079 229.9283 233.0838 233.2231 235.8126 238.8731 240.9519 241.2611 244.2329 245.8531 247.3102 247.6302 250.3373 251.8000 294.9315 298.8794 313.0869 615.9552 618.4120 621.4731 625.4851 628.4208 630.7241 631.8626 632.2516 633.5875 634.0302 634.2218 634.7587 635.2241 635.4637 636.3931 636.4838 636.6555 637.0357 637.5113 642.4458 642.8680 645.9183 649.1094 654.2417 657.2230 658.0966 714.4436 876.3579 908.1476 1202.0745 1213.2632 1214.9580 1558.7683 1559.3840 1561.6897 -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 -0.100224 -0.186125 -0.184336 -0.186400 -0.276883 -0.397352 -0.331883 -0.229112 -0.083786 0.049124 0.141139 -0.292590 -0.293250 0.292507 0.165104 0.402206 -0.035653 -0.154595 0.030188 -0.072031 -0.122766 -0.185294 -0.168642 -0.194635 0.549125 0.199694 -0.228328 -0.119832 -0.210682 0.246213 -0.178474 -0.232120 -0.146333 -0.125610 -0.185912 0.060132 0.127829 0.094352 0.103283 0.084850 0.079427 0.099978 0.096661 0.156320 0.143141 0.125796 0.126660 0.151680 0.149025 0.146353 0.159173 0.150373 0.169185 0.146722 0.160111 0.157748 0.158749 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 17.1002 9.1861 9.1843 9.1864 8.2769 8.3974 8.3319 7.2291 7.0838 5.9509 5.8589 6.2926 6.2933 5.7075 5.8349 5.5978 6.0357 6.1546 5.9698 6.0720 6.1228 6.1853 6.1686 6.1946 5.4509 5.8003 6.2283 6.1198 6.2107 5.7538 6.1785 6.2321 6.1463 6.1256 6.1859 0.9399 0.8722 0.9056 0.8967 0.9152 0.9206 0.9000 0.9033 0.8437 0.8569 0.8742 0.8733 0.8483 0.8510 0.8536 0.8408 0.8496 0.8308 0.8533 0.8399 0.8423 0.8413 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 -0.1002 -0.1861 -0.1843 -0.1864 -0.2769 -0.3974 -0.3319 -0.2291 -0.0838 0.0491 0.1411 -0.2926 -0.2933 0.2925 0.1651 0.4022 -0.0357 -0.1546 0.0302 -0.0720 -0.1228 -0.1853 -0.1686 -0.1946 0.5491 0.1997 -0.2283 -0.1198 -0.2107 0.2462 -0.1785 -0.2321 -0.1463 -0.1256 -0.1859 0.0601 0.1278 0.0944 0.1033 0.0848 0.0794 0.1000 0.0967 0.1563 0.1431 0.1258 0.1267 0.1517 0.1490 0.1464 0.1592 0.1504 0.1692 0.1467 0.1601 0.1577 0.1587 1.2286 1.0985 1.1147 1.1103 2.1267 2.1052 2.0747 3.2163 3.1111 3.8172 3.8146 3.9502 3.9392 4.2279 3.9702 3.7383 3.9196 3.9305 3.6024 3.7085 4.0574 4.0174 3.9056 3.9772 4.4336 3.8000 4.0797 3.8979 4.0058 3.7668 3.8650 3.9959 3.8765 3.8922 3.9408 1.0256 1.0038 1.0121 1.0017 1.0041 1.0142 1.0039 1.0045 1.0390 1.0180 1.0023 1.0256 1.0160 1.0164 1.0024 0.9893 1.0032 0.9834 1.0069 0.9901 0.9883 0.9905 1.2286 1.0985 1.1147 1.1103 2.1267 2.1052 2.0747 3.2163 3.1111 3.8172 3.8146 3.9502 3.9392 4.2279 3.9702 3.7383 3.9196 3.9305 3.6024 3.7085 4.0574 4.0174 3.9056 3.9772 4.4336 3.8000 4.0797 3.8979 4.0058 3.7668 3.8650 3.9959 3.8765 3.8922 3.9408 1.0256 1.0038 1.0121 1.0017 1.0041 1.0142 1.0039 1.0045 1.0390 1.0180 1.0023 1.0256 1.0160 1.0164 1.0024 0.9893 1.0032 0.9834 1.0069 0.9901 0.9883 0.9905 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.0532 1.1300 1.1279 1.1233 1.1517 0.8493 1.9825 0.9413 0.9411 0.9261 1.2288 0.9559 3.0534 0.9042 0.9382 0.9423 1.0143 0.9512 0.9824 0.9867 0.9908 0.9835 0.9864 0.9969 0.9952 1.2514 1.3305 0.8966 0.9430 0.9813 1.4705 1.4825 0.9542 1.3201 1.3744 1.3748 1.3858 1.0095 0.9595 0.9532 1.3865 0.9684 1.4324 0.9829 1.4127 1.4233 0.9805 0.9809 1.3663 1.4056 1.3834 0.9551 1.4288 0.9813 1.4334 0.9715 1.4131 0.9796 0.9841 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 -0.034155627 -2099.167368210920 28.88719 -28.09765 0.78955 -19.18766 19.48176 0.29409 25.51257 -24.52957 0.98301 1.29468 3.29080