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 Cl F F F F F O O N N N N 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 1 2 2 2 2 2 3 3 4 4 4 4 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 6 446.67391599999974 AuxInfo=1/0/N:30,28,29,25,26,18,22,15,16,20,21,14,13,19,31,24,17,23,27,1,2,3,4,5,6,12,11,10,9,8,7/E:(2,3)(4,5)(21,22)(23,24,25)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,27.2,28.2,30.1/rA:45nClFFFFFOO1NN2N2NC3C3C3CC3C3C3CC3C3CC3C3C3CC3C3C3C3HHHHHHHHHHHHHH/rB:;;;;;;;;s9;;;s9;;s13s14;s7s14;s9s11;s13;s1s14;s7;s17;s18s19;s2s3s20;s10s11;s21;s21;s4s5s6s23;s25;s26;s28s29;s8s12s24;s15;s16;s16;s18;s20;s20;s22;s25;s26;s28;s29;s30;s12;s12;/rC:1.0212,-4.8891,1.0815;5.1088,.7802,-1.661;3.2689,.422,-2.7813;3.5459,1.8736,.3839;1.8241,1.7136,-.9098;3.5208,2.8784,-1.523;2.2671,-1.0259,-.6158;-6.2369,.0643,-1.7327;-2.5579,-.3264,.0646;-3.7242,-.5316,-.5487;-3.4446,1.6419,-.1147;-5.8709,2.2542,-1.2519;-1.6923,-1.4215,.2884;.5174,-2.3704,.244;-.3413,-1.3079,.0008;1.9903,-2.2657,-.0325;-2.4,.9945,.3398;-2.2206,-2.6043,.7799;-.021,-3.5467,.756;3.6229,-.7725,-.7825;-1.2781,1.6131,1.0478;-1.376,-3.6744,1.0113;3.7841,.5326,-1.5416;-4.2238,.6734,-.642;-.8488,2.8725,.6371;-.6618,1.003,2.1386;3.1474,1.7747,-.8845;.2006,3.4989,1.2874;.3882,1.633,2.7847;.8279,2.8769,2.3561;-5.5492,.9433,-1.2708;.0493,-.3897,-.4119;2.5448,-2.392,.9095;2.3063,-3.0864,-.692;-3.2812,-2.6895,.9706;4.1524,-.7038,.1771;4.1225,-1.555,-1.373;-1.7687,-4.6052,1.3954;-1.3383,3.3528,-.1994;-1.0069,.0427,2.4979;.5336,4.4725,.9536;.8602,1.1521,3.6309;1.6521,3.3638,2.86;-5.2561,2.93,-.834;-6.7466,2.5527,-1.6411; 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 1675 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 234 Dim 1168 ENuc 3389.5452849445 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 4.977e-06 Time for diagonalization 0.489 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.336 sec Total time needed 0.831 sec 17 9 9 9 9 9 8 8 7 7 7 7 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 1 446.67391599999974 AuxInfo=1/0/N:30,28,29,25,26,18,22,15,16,20,21,14,13,19,31,24,17,23,27,1,2,3,4,5,6,12,11,10,9,8,7/E:(2,3)(4,5)(21,22)(23,24,25)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,27.2,28.2,30.1/rA:45nClFFFFFOO1NN2N2NC3C3C3CC3C3C3CC3C3CC3C3C3CC3C3C3C3HHHHHHHHHHHHHH/rB:;;;;;;;;s9;;;s9;;s13s14;s7s14;s9s11;s13;s1s14;s7;s17;s18s19;s2s3s20;s10s11;s21;s21;s4s5s6s23;s25;s26;s28s29;s8s12s24;s15;s16;s16;s18;s20;s20;s22;s25;s26;s28;s29;s30;s12;s12;/rC:1.0212,-4.8891,1.0815;5.1088,.7802,-1.661;3.2689,.422,-2.7813;3.5459,1.8736,.3839;1.8241,1.7136,-.9098;3.5208,2.8784,-1.523;2.2672,-1.0259,-.6158;-6.2369,.0643,-1.7327;-2.5579,-.3264,.0646;-3.7242,-.5316,-.5487;-3.4446,1.6419,-.1147;-5.8709,2.2542,-1.2519;-1.6923,-1.4215,.2884;.5174,-2.3704,.244;-.3413,-1.3079,.0008;1.9903,-2.2657,-.0325;-2.4,.9945,.3398;-2.2206,-2.6043,.7799;-.021,-3.5467,.756;3.6229,-.7725,-.7825;-1.2781,1.6131,1.0478;-1.376,-3.6744,1.0113;3.7841,.5326,-1.5416;-4.2238,.6734,-.642;-.8488,2.8725,.6371;-.6618,1.003,2.1386;3.1474,1.7747,-.8845;.2006,3.4989,1.2874;.3882,1.633,2.7847;.8279,2.8769,2.3561;-5.5492,.9433,-1.2708;.0493,-.3897,-.4119;2.5448,-2.392,.9095;2.3063,-3.0864,-.692;-3.2812,-2.6895,.9706;4.1524,-.7038,.1771;4.1225,-1.555,-1.373;-1.7687,-4.6052,1.3954;-1.3383,3.3528,-.1994;-1.0069,.0427,2.4979;.5336,4.4725,.9536;.8602,1.1521,3.6309;1.6521,3.3638,2.86;-5.2561,2.93,-.834;-6.7466,2.5527,-1.6411; 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 4 446.67391599999974 AuxInfo=1/0/N:30,28,29,25,26,18,22,15,16,20,21,14,13,19,31,24,17,23,27,1,2,3,4,5,6,12,11,10,9,8,7/E:(2,3)(4,5)(21,22)(23,24,25)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,27.2,28.2,30.1/rA:45nClFFFFFOO1NN2N2NC3C3C3CC3C3C3CC3C3CC3C3C3CC3C3C3C3HHHHHHHHHHHHHH/rB:;;;;;;;;s9;;;s9;;s13s14;s7s14;s9s11;s13;s1s14;s7;s17;s18s19;s2s3s20;s10s11;s21;s21;s4s5s6s23;s25;s26;s28s29;s8s12s24;s15;s16;s16;s18;s20;s20;s22;s25;s26;s28;s29;s30;s12;s12;/rC:1.0212,-4.8891,1.0815;5.1088,.7802,-1.661;3.2689,.422,-2.7813;3.5459,1.8736,.3839;1.8241,1.7136,-.9098;3.5208,2.8784,-1.523;2.2671,-1.0259,-.6158;-6.2369,.0643,-1.7327;-2.5579,-.3264,.0646;-3.7242,-.5316,-.5487;-3.4446,1.6419,-.1147;-5.8709,2.2542,-1.2519;-1.6923,-1.4215,.2884;.5174,-2.3704,.244;-.3413,-1.3079,.0008;1.9903,-2.2657,-.0325;-2.4,.9945,.3398;-2.2206,-2.6043,.7799;-.021,-3.5467,.756;3.6229,-.7725,-.7825;-1.2781,1.6131,1.0478;-1.376,-3.6744,1.0113;3.7841,.5326,-1.5416;-4.2238,.6734,-.642;-.8488,2.8725,.6371;-.6618,1.003,2.1386;3.1474,1.7747,-.8845;.2006,3.4989,1.2874;.3882,1.633,2.7847;.8279,2.8769,2.3561;-5.5492,.9433,-1.2708;.0493,-.3897,-.4119;2.5448,-2.392,.9095;2.3063,-3.0864,-.692;-3.2812,-2.6895,.9706;4.1524,-.7038,.1771;4.1225,-1.555,-1.373;-1.7687,-4.6052,1.3954;-1.3383,3.3528,-.1994;-1.0069,.0427,2.4979;.5336,4.4725,.9536;.8602,1.1521,3.6309;1.6521,3.3638,2.86;-5.2561,2.93,-.834;-6.7466,2.5527,-1.6411; -2061.54305224 3389.54528494 -5451.08833718 -9576.35949687 4125.27115968 -4116.47338638 2054.93033414 2.00321798 117.000088723770 117.000088723770 234.000177447541 -164.591348649158 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.7429 -676.0239 -675.9364 -675.9132 -675.6850 -675.6009 -524.6614 -522.1578 -395.4238 -393.4541 -392.8346 -392.6049 -287.1726 -285.3870 -282.4787 -282.2826 -282.1510 -282.0205 -282.0002 -281.6732 -281.2668 -280.9869 -280.6708 -280.6107 -280.5477 -280.5293 -280.3150 -280.2099 -280.1948 -280.1778 -280.1280 -261.0144 -199.8495 -199.6149 -199.6058 -39.9187 -38.4574 -37.3780 -37.2737 -36.7743 -33.4963 -32.9855 -31.3988 -28.8933 -28.2690 -27.7864 -27.5191 -26.8313 -26.2211 -25.8522 -24.9102 -24.3017 -24.0360 -23.7869 -23.5327 -22.3839 -21.6264 -21.4906 -21.1477 -20.5054 -20.1650 -20.0403 -19.9226 -19.8116 -19.7785 -19.3454 -18.7938 -18.6159 -18.4689 -17.9838 -17.6290 -17.3918 -17.1357 -17.0993 -16.7019 -16.6147 -16.3841 -16.3127 -16.2595 -15.9000 -15.8777 -15.6893 -15.6356 -15.4610 -15.3934 -15.2386 -15.2175 -15.0365 -14.8570 -14.8004 -14.6609 -14.6212 -14.5279 -14.3817 -14.1657 -13.9387 -13.8382 -13.7020 -13.5927 -13.1736 -12.9660 -12.7901 -12.5737 -12.4104 -12.3616 -11.9876 -11.6345 -11.2649 -10.9761 -10.8239 -10.5610 -10.1145 -9.9483 -9.6956 -9.6391 -9.4769 -8.9082 0.2560 0.8502 1.0212 1.4396 1.6243 2.5082 2.7626 3.0816 3.2165 3.4527 3.5706 3.7214 3.8773 4.0806 4.1587 4.2433 4.4993 4.5617 4.7219 4.7616 4.9490 5.0326 5.2454 5.3879 5.5412 5.6234 5.6741 5.7745 5.9647 6.1274 6.1809 6.2988 6.4375 6.7627 6.8890 7.0407 7.2074 7.2727 7.4713 7.5698 7.6646 7.7187 7.9197 7.9781 8.0637 8.1425 8.2254 8.3385 8.4402 8.4548 8.5203 8.6543 8.7081 8.8708 8.9272 8.9972 9.1048 9.2215 9.2968 9.3460 9.4485 9.4748 9.5288 9.7679 9.9395 10.0390 10.1390 10.2531 10.3796 10.5380 10.6060 10.7217 10.8332 10.9530 11.0835 11.2052 11.2226 11.3435 11.4368 11.6020 11.7125 11.7475 11.8069 11.9180 12.0258 12.1076 12.2060 12.2296 12.3288 12.4827 12.6282 12.7574 12.7993 12.8737 12.9225 12.9822 13.0832 13.1261 13.3104 13.3340 13.5218 13.6317 13.7004 13.9252 14.0325 14.0637 14.1946 14.3578 14.3814 14.4329 14.6001 14.6444 14.6769 14.7664 14.8732 15.0158 15.0972 15.1627 15.3564 15.4726 15.4990 15.5492 15.7048 15.7184 15.9853 16.0376 16.2440 16.2590 16.4351 16.6475 16.6831 16.7452 16.8389 17.0085 17.0704 17.1742 17.3471 17.4533 17.6246 17.8460 17.8835 18.0429 18.2330 18.5913 18.6615 18.8318 18.8561 19.1913 19.3072 19.4325 19.5266 19.6884 19.7876 19.9645 20.0087 20.2066 20.2409 20.4576 20.6005 20.6916 20.7810 20.8954 21.0746 21.0853 21.2125 21.4017 21.5093 21.5547 21.6359 21.7356 21.7864 21.8829 22.2175 22.3107 22.3772 22.4126 22.5216 22.6655 22.7874 22.9316 23.0950 23.2708 23.3297 23.4113 23.5424 23.6835 23.7147 23.9014 24.0208 24.2060 24.3638 24.4760 24.6069 24.6215 24.7236 24.8769 24.9892 25.1276 25.1979 25.4316 25.5336 25.6909 25.7836 25.9166 26.1081 26.2225 26.3112 26.4487 26.6631 26.6874 26.8492 26.9224 27.1777 27.2518 27.4550 27.5282 27.8975 27.9483 28.0244 28.2798 28.3067 28.4451 28.7917 28.8272 28.9178 29.0715 29.2140 29.3869 29.4182 29.6519 29.7454 29.9418 30.0171 30.1548 30.3119 30.5231 30.9280 30.9340 31.0807 31.2558 31.3899 31.4425 31.6313 31.8295 31.9251 31.9769 32.1089 32.2745 32.3469 32.6118 32.7876 32.8165 32.9442 33.0856 33.2833 33.2905 33.3605 33.7706 33.8509 34.0657 34.2100 34.3319 34.4876 34.5442 34.7553 34.9866 35.2235 35.2839 35.3613 35.5958 35.6290 35.9446 36.1750 36.2793 36.6199 36.7197 36.9245 37.1476 37.2582 37.3463 37.5155 37.5867 37.7773 37.8447 37.9064 37.9421 38.1946 38.2777 38.4392 38.4766 38.7192 39.0554 39.3062 39.3574 39.4046 39.4774 39.5727 39.7517 39.9030 39.9184 40.0585 40.3436 40.3801 40.5044 40.5351 40.7887 40.8237 40.9865 41.2195 41.4619 41.5016 41.8418 41.8959 42.0413 42.4028 42.5099 42.6728 42.7896 42.9653 43.0306 43.2150 43.5353 43.8324 43.8804 43.9441 44.2488 44.4315 44.6160 44.8806 45.0105 45.2282 45.3564 45.4271 45.5449 45.9840 46.2598 46.4819 46.5748 46.8938 46.9569 47.1358 47.2101 47.4511 47.4933 47.8176 47.9822 48.2071 48.3152 48.5094 48.6173 48.7179 48.8678 48.9521 49.0590 49.2754 49.5573 49.6727 49.8703 50.1091 50.3377 50.4196 50.5570 50.8157 50.9333 51.1414 51.3739 51.4509 51.5823 51.7753 52.0293 52.2002 52.3403 52.4583 52.9006 52.9631 53.1773 53.4324 53.5755 53.7367 53.8327 53.8991 54.1059 54.2824 54.5011 54.8996 54.9982 55.2225 55.3362 55.4739 55.6198 55.6618 55.7782 56.0166 56.2706 56.5583 56.8833 57.0161 57.1652 57.2106 57.4455 57.7218 57.7716 57.8756 58.0962 58.2208 58.5346 58.6991 59.0399 59.1003 59.1943 59.3022 59.4338 59.5967 59.9399 60.0791 60.2523 60.4846 60.7115 60.8521 61.0763 61.1379 61.4537 61.6517 61.7240 61.8751 62.0125 62.3912 62.4807 62.7045 62.7866 62.8822 63.2703 63.5444 63.8292 64.1631 64.3289 64.4278 64.5690 64.7956 64.9405 65.0772 65.2864 65.4335 65.6286 65.8180 65.9342 66.2196 66.3931 66.5107 66.8211 66.8275 67.0581 67.3066 67.3723 67.9253 68.2039 68.3012 68.3879 68.4890 68.6758 68.8143 68.9482 69.1477 69.2789 69.5691 69.7257 70.1565 70.5597 70.7762 71.0452 71.0914 71.6738 72.0153 72.2420 72.3523 72.5504 72.7447 73.1016 73.2663 73.4563 73.9440 74.4168 74.7093 74.8395 74.9688 75.1449 75.4939 75.6187 75.7547 75.9014 75.9826 76.2554 76.4058 76.6331 76.7603 76.9620 77.1263 77.3441 77.5000 77.6514 77.8827 77.9774 78.2884 78.3017 78.6099 78.6791 78.8766 78.9637 79.2606 79.3200 79.5182 79.5504 79.7315 79.8642 80.0139 80.1552 80.4600 80.4979 80.8280 81.1230 81.2017 81.4168 81.6034 81.7460 81.9727 82.0237 82.1929 82.2760 82.5822 82.6693 82.8820 83.0674 83.0811 83.2313 83.3298 83.5625 83.6230 83.8477 84.0626 84.1232 84.2338 84.3219 84.3717 84.5443 84.6377 84.7135 84.8552 84.9471 85.1305 85.1888 85.2071 85.3511 85.4942 85.6594 85.7731 85.8530 85.9297 86.0707 86.1858 86.2604 86.4673 86.5918 86.7004 86.7504 87.0465 87.0884 87.3515 87.3824 87.4412 87.5712 87.6943 87.7860 87.9609 88.1795 88.3432 88.4164 88.4696 88.5630 88.6304 88.8170 88.9432 88.9879 89.1426 89.2032 89.4656 89.7492 89.8726 90.0392 90.0865 90.2002 90.4380 90.6012 90.6556 90.8216 91.0260 91.1551 91.3687 91.4504 91.6209 91.7231 91.8461 92.0174 92.1326 92.4155 92.5344 92.6262 92.8356 92.9154 93.1034 93.1359 93.2779 93.3471 93.5041 93.5782 93.7261 93.8282 94.0205 94.0687 94.2385 94.6243 94.6683 94.9437 95.1535 95.2225 95.3432 95.4961 95.7168 95.7765 96.0233 96.1098 96.2380 96.4391 96.5918 96.6613 96.8783 96.9611 97.1355 97.1918 97.3674 97.4974 97.6701 97.7696 97.9286 98.0876 98.3550 98.4237 98.5757 98.7096 98.9031 99.1971 99.2346 99.4565 99.6483 99.9139 100.0550 100.0862 100.2437 100.3138 100.4583 100.7636 101.1044 101.1495 101.5196 101.5550 102.0211 102.2918 102.3527 102.4191 102.4993 102.6665 102.7982 102.9631 103.1830 103.4361 103.5455 103.7323 103.9017 104.1711 104.4493 104.6198 104.7171 105.0005 105.0784 105.1468 105.2433 105.4240 105.6691 105.7827 105.8515 106.1223 106.1941 106.2914 106.3937 106.4786 106.6469 106.9347 107.0349 107.3702 107.3853 107.6104 107.7440 107.9388 108.0859 108.3496 108.4885 108.5753 108.8184 108.9752 109.0342 109.2378 109.3786 109.6096 109.6329 109.6760 109.8813 109.9510 110.2567 110.4689 110.7497 110.8720 111.0205 111.0731 111.1540 111.2742 111.4893 111.7081 111.8218 112.0754 112.4415 112.6043 113.0820 113.1892 113.2023 113.4355 113.6755 113.7501 113.7653 113.9830 114.1162 114.1841 114.3080 114.5476 114.8272 114.8884 114.9579 115.2214 115.6664 115.7246 115.9288 116.0548 116.2076 116.4246 116.5311 116.6908 117.0752 117.2939 117.3415 117.4749 117.6051 117.7480 117.9758 118.0518 118.3704 118.4493 118.5558 118.7066 118.8265 119.0916 119.2745 119.4701 119.5139 119.6904 119.9059 120.1725 120.2354 120.5872 120.7986 120.9476 121.2886 121.4264 121.7306 122.0186 122.3354 122.5542 122.6740 123.1380 123.5347 123.6214 124.0184 124.1958 124.4778 125.1555 125.5574 125.6361 125.7825 126.2093 126.6909 126.8889 127.0965 127.3457 127.8947 128.1383 128.4483 128.8141 129.0117 129.2313 129.4237 129.6760 129.9644 130.2111 130.3394 130.4970 130.6834 130.7577 131.0945 131.4487 131.8405 132.0480 132.1026 132.4719 132.7326 132.9387 132.9689 133.1112 133.6222 133.7751 133.8988 134.2324 134.3846 134.4481 134.9894 135.2643 135.5468 135.7868 135.8712 136.2665 136.7249 137.0285 137.5862 137.7747 138.1606 138.4304 138.5097 138.6243 138.9839 139.1410 139.6295 139.9272 140.0460 140.7335 140.9099 141.6687 141.7626 141.9723 142.2848 142.4361 142.8135 143.2582 143.4224 143.8153 143.9027 144.1104 144.3726 144.5834 144.9132 145.4880 145.5289 145.8384 146.0273 146.3296 147.0720 147.2010 147.3417 147.5012 147.7265 148.2909 148.4265 148.5619 148.7974 148.9071 149.1595 149.2890 149.6228 149.8076 149.8552 150.2021 150.6339 151.1014 151.2656 151.4334 151.8269 152.3097 152.9219 153.2672 153.4213 153.8299 154.3249 154.6345 154.6897 155.0573 155.2774 156.0247 156.5302 156.7349 156.9163 157.0163 157.6665 157.9414 158.3176 158.6184 159.2564 159.9451 160.5504 160.7382 161.0133 161.4129 162.3146 163.8329 164.6371 164.7153 166.2551 166.5336 167.4953 168.2581 168.4924 168.9832 170.4914 171.2607 172.0624 172.4093 172.7438 174.5509 175.0225 175.7934 177.3021 177.6404 180.7120 181.4067 183.3738 183.8199 184.7993 186.6594 186.9730 187.8782 188.1153 188.2192 188.2613 188.3691 188.4072 188.4276 188.5960 188.7169 188.8759 188.9817 189.0589 189.1356 189.2717 189.3556 189.7277 190.1125 191.6811 192.2641 192.7101 192.8475 193.3505 193.4606 194.0239 194.2080 194.7427 194.9996 196.1261 196.6150 197.7268 199.1124 199.2663 201.8072 202.1020 202.5068 203.3142 203.5924 203.8633 204.1633 205.1378 207.5311 208.6427 209.7238 209.9723 221.5840 223.4316 223.9600 227.4817 227.6269 227.8527 228.0129 228.5570 229.8195 230.0120 230.9188 232.5425 232.7979 233.7136 235.1066 238.5108 239.7855 240.7192 242.5616 243.5649 244.3106 245.2346 245.7448 246.5076 247.0924 247.5745 248.5815 250.5402 250.8153 251.3990 294.7411 298.3629 312.9324 614.5549 618.8490 622.8069 624.6254 628.7225 632.3535 633.2351 634.2596 634.8485 635.6287 636.1460 636.6515 637.2496 638.3128 641.2323 643.1411 647.9936 653.9185 660.5912 714.6589 882.4587 889.0485 895.5514 904.1660 1199.6763 1212.0674 1558.8664 1559.5674 1563.3376 1563.9401 1566.2546 -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 Cl F F F F F O O N N N N 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 -0.065164 -0.174848 -0.168197 -0.170046 -0.146833 -0.151133 -0.299720 -0.349133 0.166956 -0.276969 -0.391208 -0.245204 0.028877 0.067213 -0.160286 0.023861 0.406165 -0.135687 -0.002313 -0.053477 -0.124989 -0.104234 0.333931 0.261939 -0.140374 -0.173505 0.466776 -0.171266 -0.128373 -0.094145 0.201713 0.160142 0.089158 0.095942 0.133700 0.103177 0.099587 0.123859 0.119555 0.135928 0.126938 0.125494 0.128196 0.168564 0.159432 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 Cl F F F F F O O N N N N 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 17.0652 9.1748 9.1682 9.1700 9.1468 9.1511 8.2997 8.3491 6.8330 7.2770 7.3912 7.2452 5.9711 5.9328 6.1603 5.9761 5.5938 6.1357 6.0023 6.0535 6.1250 6.1042 5.6661 5.7381 6.1404 6.1735 5.5332 6.1713 6.1284 6.0941 5.7983 0.8399 0.9108 0.9041 0.8663 0.8968 0.9004 0.8761 0.8804 0.8641 0.8731 0.8745 0.8718 0.8314 0.8406 17.0000 9.0000 9.0000 9.0000 9.0000 9.0000 8.0000 8.0000 7.0000 7.0000 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 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 -0.0652 -0.1748 -0.1682 -0.1700 -0.1468 -0.1511 -0.2997 -0.3491 0.1670 -0.2770 -0.3912 -0.2452 0.0289 0.0672 -0.1603 0.0239 0.4062 -0.1357 -0.0023 -0.0535 -0.1250 -0.1042 0.3339 0.2619 -0.1404 -0.1735 0.4668 -0.1713 -0.1284 -0.0941 0.2017 0.1601 0.0892 0.0959 0.1337 0.1032 0.0996 0.1239 0.1196 0.1359 0.1269 0.1255 0.1282 0.1686 0.1594 1.2708 1.1360 1.1511 1.1460 1.1690 1.1704 2.0121 2.1832 3.3099 2.8951 3.0507 3.1585 3.8131 3.6266 3.9483 3.9819 3.6728 4.0671 4.0302 3.9701 3.5645 4.0172 4.2988 3.7054 3.9930 3.9339 4.3960 3.9739 3.9684 3.8947 4.4139 1.0086 0.9870 0.9904 1.0243 1.0077 1.0049 1.0123 1.0312 1.0049 1.0039 1.0031 0.9988 1.0379 1.0267 1.2708 1.1360 1.1511 1.1460 1.1690 1.1704 2.0121 2.1832 3.3099 2.8951 3.0507 3.1585 3.8131 3.6266 3.9483 3.9819 3.6728 4.0671 4.0302 3.9701 3.5645 4.0172 4.2988 3.7054 3.9930 3.9339 4.3960 3.9739 3.9684 3.8947 4.4139 1.0086 0.9870 0.9904 1.0243 1.0077 1.0049 1.0123 1.0312 1.0049 1.0039 1.0031 0.9988 1.0379 1.0267 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 1.1273 1.0855 1.1219 1.0961 1.1290 1.1526 0.9907 0.9848 2.1547 1.0006 0.9605 1.2609 0.1002 1.6220 1.6013 1.2709 1.2762 0.9623 0.9697 1.3478 1.4379 1.3754 0.9542 1.3383 0.9851 0.9750 0.9671 0.8012 1.4658 0.9553 1.4248 1.0002 0.9586 0.9681 1.4063 1.3105 0.9662 0.9599 0.8920 1.4667 0.9776 1.4805 0.9824 1.4021 0.9924 1.4089 0.9786 0.9842 0 18 1 22 2 22 3 26 4 26 5 26 6 15 6 19 7 30 8 9 8 12 8 16 9 16 9 23 10 16 10 23 11 30 11 43 11 44 12 14 12 17 13 14 13 15 13 18 14 31 15 32 15 33 16 20 17 21 17 34 18 21 19 22 19 35 19 36 20 24 20 25 21 37 22 26 23 30 24 27 24 38 25 28 25 39 27 29 27 40 28 29 28 41 29 42 -0.024814380 -2061.567866617459 -20.58004 22.44821 1.86817 1.63806 -1.35447 0.28358 12.84421 -11.40635 1.43787 2.37443 6.03532