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:1.7798,-3.4255,1.6311;4.8738,.1318,-1.1586;3.6213,1.8999,-.9061;2.7769,.8067,1.5513;4.8409,1.3863,1.3419;4.3089,-.6959,1.3266;2.6429,-1.4962,-.8588;-6.9072,1.2824,-.9667;-2.8326,-.1497,-.0119;-4.0911,-.5617,.1478;-4.0563,1.4245,-.8782;-6.8339,-.6938,.1445;-1.7482,-.9712,.3655;.3721,-1.9917,-.1828;-.7336,-1.2335,-.5428;1.4852,-2.2316,-1.1689;-2.8255,1.065,-.6215;-1.6968,-1.504,1.6424;.4248,-2.4937,1.1169;2.5264,-.1362,-1.1397;-1.6349,1.8666,-.9074;-.6082,-2.2733,2.0143;3.7416,.5868,-.5902;-4.792,.4103,-.3889;-.5985,1.993,.0158;-1.5717,2.5652,-2.11;3.9272,.5092,.9393;.496,2.7914,-.2733;-.4672,3.3494,-2.4009;.5709,3.4592,-1.4874;-6.2842,.3915,-.4436;-.8006,-.8399,-1.5498;1.7803,-3.2812,-1.1651;1.1279,-1.9981,-2.1813;-2.4984,-1.315,2.343;2.4889,.0567,-2.2226;1.6265,.3146,-.7056;-.5547,-2.6914,3.0096;-.6505,1.4883,.972;-2.3943,2.493,-2.8089;1.2885,2.8971,.454;-.4213,3.8817,-3.3414;1.4315,4.0743,-1.7134;-6.2658,-1.4206,.5404;-7.8321,-.8004,.1378; 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 3424.2526236483 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 4.918e-06 Time for diagonalization 0.480 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.233 sec Total time needed 0.719 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:1.7798,-3.4255,1.6311;4.8738,.1318,-1.1586;3.6213,1.8999,-.9061;2.7769,.8067,1.5513;4.8409,1.3863,1.3419;4.3089,-.6959,1.3266;2.6429,-1.4962,-.8588;-6.9072,1.2824,-.9667;-2.8326,-.1497,-.0119;-4.0911,-.5617,.1478;-4.0563,1.4245,-.8782;-6.8339,-.6938,.1445;-1.7482,-.9712,.3655;.3721,-1.9917,-.1828;-.7336,-1.2335,-.5428;1.4852,-2.2316,-1.1689;-2.8255,1.065,-.6215;-1.6968,-1.504,1.6424;.4248,-2.4937,1.1169;2.5264,-.1362,-1.1397;-1.6349,1.8666,-.9074;-.6082,-2.2733,2.0143;3.7416,.5868,-.5902;-4.792,.4103,-.3889;-.5985,1.993,.0158;-1.5717,2.5652,-2.11;3.9272,.5092,.9393;.496,2.7914,-.2733;-.4672,3.3494,-2.4009;.5709,3.4592,-1.4874;-6.2842,.3915,-.4436;-.8006,-.8399,-1.5498;1.7803,-3.2812,-1.1651;1.1279,-1.9981,-2.1813;-2.4984,-1.315,2.343;2.4889,.0567,-2.2226;1.6265,.3146,-.7056;-.5547,-2.6914,3.0096;-.6505,1.4883,.972;-2.3943,2.493,-2.8089;1.2885,2.8971,.454;-.4213,3.8817,-3.3414;1.4315,4.0743,-1.7134;-6.2658,-1.4206,.5404;-7.8321,-.8004,.1378; 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:1.7798,-3.4255,1.6311;4.8738,.1318,-1.1586;3.6213,1.8999,-.9061;2.7769,.8067,1.5513;4.8409,1.3863,1.3419;4.3089,-.6959,1.3266;2.6429,-1.4962,-.8588;-6.9072,1.2824,-.9667;-2.8326,-.1497,-.0119;-4.0911,-.5617,.1478;-4.0563,1.4245,-.8782;-6.8339,-.6938,.1445;-1.7482,-.9712,.3655;.3721,-1.9917,-.1828;-.7336,-1.2335,-.5428;1.4852,-2.2316,-1.1689;-2.8255,1.065,-.6215;-1.6968,-1.504,1.6424;.4248,-2.4937,1.1169;2.5264,-.1362,-1.1397;-1.6349,1.8666,-.9074;-.6082,-2.2733,2.0143;3.7416,.5868,-.5902;-4.792,.4103,-.3889;-.5985,1.993,.0158;-1.5717,2.5652,-2.11;3.9272,.5092,.9393;.496,2.7914,-.2733;-.4672,3.3494,-2.4009;.5709,3.4592,-1.4874;-6.2842,.3915,-.4436;-.8006,-.8399,-1.5498;1.7803,-3.2812,-1.1651;1.1279,-1.9981,-2.1813;-2.4984,-1.315,2.343;2.4889,.0567,-2.2226;1.6265,.3146,-.7056;-.5547,-2.6914,3.0096;-.6505,1.4883,.972;-2.3943,2.493,-2.8089;1.2885,2.8971,.454;-.4213,3.8817,-3.3414;1.4315,4.0743,-1.7134;-6.2658,-1.4206,.5404;-7.8321,-.8004,.1378; -2061.53898980 3424.25262365 -5485.79161344 -9645.27841084 4159.48679739 -4116.47838389 2054.93939410 2.00321158 117.000168328986 117.000168328986 234.000336657972 -164.590337328197 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 -2765.6983 -675.9761 -675.8399 -675.8315 -675.6102 -675.5035 -524.4813 -522.3237 -395.6049 -393.7609 -392.9903 -392.5828 -287.0859 -285.2843 -282.6329 -282.2257 -282.2251 -282.0380 -281.9357 -281.9084 -281.4761 -281.0560 -280.9406 -280.8781 -280.8347 -280.7819 -280.4417 -280.3255 -280.2922 -280.2661 -280.2559 -260.9698 -199.8095 -199.5705 -199.5555 -39.8422 -38.3644 -37.2949 -37.2002 -36.6762 -33.6816 -32.7207 -31.5775 -28.9993 -28.3195 -28.1143 -27.6012 -26.9729 -26.3220 -25.7474 -25.0732 -24.4358 -24.1531 -23.9171 -23.5717 -22.3122 -21.7408 -21.3988 -21.3105 -20.7136 -20.3263 -20.0657 -19.9127 -19.8500 -19.7211 -19.2855 -18.9482 -18.6736 -18.4409 -18.0779 -17.6649 -17.5241 -17.3222 -17.0157 -16.7596 -16.5655 -16.4216 -16.2965 -16.2531 -16.1684 -16.0825 -15.6904 -15.5767 -15.5216 -15.4467 -15.3608 -15.1621 -14.9613 -14.7867 -14.7160 -14.6729 -14.5560 -14.5285 -14.4225 -14.2019 -14.1657 -14.0175 -13.8095 -13.6952 -13.3648 -12.8923 -12.8339 -12.6237 -12.4979 -12.1987 -12.1650 -11.6875 -11.3497 -10.8930 -10.7405 -10.6381 -10.4412 -10.1045 -9.8658 -9.8254 -9.6605 -9.1317 0.1072 0.5027 0.7710 1.2232 1.3913 2.5348 2.8018 2.9242 3.0978 3.2871 3.5344 3.8062 3.8225 3.9385 4.0501 4.2221 4.4458 4.4820 4.7389 4.7883 4.8633 4.9962 5.1258 5.2250 5.3591 5.5781 5.6372 5.6837 5.8409 6.0105 6.1520 6.1936 6.5050 6.7313 6.8088 7.0956 7.3060 7.3444 7.4666 7.5344 7.6462 7.7070 7.7208 8.0207 8.0841 8.1504 8.2921 8.3331 8.4233 8.5445 8.5728 8.6357 8.6620 8.8322 8.9353 8.9674 9.0245 9.1151 9.1851 9.2512 9.3567 9.4620 9.5967 9.7866 9.9695 10.0523 10.0980 10.2463 10.3383 10.4495 10.5237 10.6090 10.6970 10.8566 10.9536 11.0299 11.0931 11.1678 11.3491 11.4381 11.5179 11.5730 11.6242 11.7562 11.8415 11.9340 12.0342 12.1513 12.2470 12.3930 12.4221 12.7084 12.7659 12.9296 13.0133 13.0687 13.1162 13.2096 13.2694 13.3706 13.5109 13.5699 13.7465 13.8869 13.9792 14.1190 14.1844 14.2741 14.4296 14.4877 14.5128 14.5492 14.6766 14.8627 14.9134 15.0451 15.1376 15.2616 15.3292 15.5738 15.6154 15.7153 15.8350 15.9014 15.9534 16.1103 16.2675 16.3725 16.4350 16.5420 16.7337 16.7738 16.8740 16.9798 17.1381 17.2687 17.4462 17.6252 17.7803 17.9514 18.1631 18.2383 18.3578 18.4519 18.6970 18.8071 19.0091 19.0925 19.3111 19.3953 19.5174 19.6135 19.7308 19.9178 20.0225 20.1400 20.3115 20.4038 20.4421 20.4936 20.6524 20.8747 20.9533 21.0645 21.1248 21.2234 21.3325 21.5157 21.6782 21.7106 21.8225 22.0118 22.0245 22.2312 22.2993 22.4178 22.5392 22.6361 22.8265 22.9446 23.0626 23.1904 23.3220 23.3902 23.6024 23.7123 23.8404 23.8971 24.0857 24.1132 24.3117 24.5496 24.6397 24.7435 24.7492 24.9050 25.0688 25.1241 25.1899 25.3313 25.4362 25.5114 25.7569 25.9161 26.0435 26.1225 26.2400 26.3104 26.4793 26.7226 26.8046 26.9616 27.0839 27.2180 27.3350 27.4035 27.6094 27.6698 27.9497 28.1648 28.2346 28.4566 28.6363 28.6480 28.9239 29.0399 29.1400 29.2569 29.3801 29.6018 29.6872 29.9830 30.1191 30.3093 30.5606 30.7734 30.8415 31.0556 31.1473 31.2205 31.4103 31.4822 31.6280 31.9436 32.0088 32.1883 32.2989 32.3613 32.4395 32.7191 32.9698 33.0504 33.2037 33.4027 33.5249 33.6804 33.8047 34.0225 34.0670 34.2263 34.2973 34.4237 34.8071 34.9543 35.0370 35.2053 35.2643 35.4923 35.5491 35.6841 35.8900 36.1346 36.2068 36.4628 36.6507 36.7308 36.8825 36.9125 37.2020 37.3687 37.5062 37.6021 37.6232 37.7787 37.9275 38.0251 38.1065 38.3957 38.4986 38.6161 38.8339 39.0015 39.0664 39.2090 39.4331 39.4679 39.7898 39.8764 39.9224 39.9636 40.1679 40.3601 40.5162 40.6052 40.7136 40.8680 41.0719 41.4068 41.5493 41.7034 41.8569 42.1045 42.2295 42.3417 42.6162 42.6578 43.0027 43.0536 43.2106 43.4130 43.6922 43.7811 43.8679 44.0960 44.2381 44.4942 44.6501 44.7953 44.9286 45.1423 45.2352 45.4680 45.6006 45.8295 45.9554 46.0075 46.2241 46.3004 46.6097 46.8206 47.1438 47.3115 47.4558 47.7071 47.8043 48.0269 48.2048 48.4255 48.7247 48.7961 48.8965 48.9791 49.2432 49.3661 49.4787 49.6756 49.8019 50.1156 50.1676 50.3088 50.5637 50.7508 50.9465 51.1332 51.3458 51.5700 51.6632 51.8368 51.9643 52.0852 52.4200 52.4974 52.6275 52.8061 53.1489 53.2172 53.4015 53.6779 53.8059 53.9200 54.1310 54.3574 54.4354 54.5080 54.7905 55.0166 55.0978 55.2765 55.3908 55.5461 55.6373 55.7619 56.0259 56.2909 56.4198 56.5738 56.8191 57.0440 57.2259 57.3590 57.5730 57.6832 57.7895 58.1735 58.3576 58.4592 58.8854 59.0190 59.0583 59.2442 59.4574 59.7143 59.9941 60.0532 60.1915 60.3791 60.5374 60.8636 61.0483 61.0984 61.3597 61.4349 61.5453 61.7721 62.2976 62.4213 62.4623 62.5509 62.8960 63.0322 63.4507 63.4957 63.7847 63.8862 64.0125 64.0512 64.3867 64.6373 64.7684 64.8968 65.1105 65.3246 65.4327 65.5777 65.6589 65.8054 66.2652 66.3995 66.6045 66.9116 66.9893 67.2804 67.3376 67.4501 67.6507 67.6970 67.7934 68.0739 68.2823 68.4036 68.7089 68.8303 69.1543 69.3815 69.4820 69.6894 70.1255 70.3022 70.4126 70.9318 71.1920 71.2254 71.6935 72.0546 72.2846 72.4346 72.7995 73.0174 73.5349 73.7780 74.1306 74.2134 74.3174 74.6781 74.9465 75.2427 75.4286 75.5708 75.7422 75.9784 76.0766 76.1021 76.3482 76.5522 76.9153 77.3456 77.4108 77.5267 77.8050 77.9270 77.9574 78.1264 78.1836 78.4001 78.5827 78.6985 78.7699 78.9990 79.1419 79.2175 79.4129 79.5989 79.6014 79.9601 80.0667 80.1563 80.3032 80.5927 80.7499 81.0468 81.1571 81.2712 81.6020 81.6774 81.7232 81.8488 82.0497 82.1668 82.2933 82.7312 82.8276 82.9830 83.1072 83.3795 83.4355 83.5940 83.6322 83.7903 83.8852 83.9664 84.1330 84.2154 84.2965 84.5751 84.7143 84.8049 84.9080 84.9592 85.0764 85.2684 85.3699 85.4795 85.6318 85.6984 85.8508 85.9163 85.9751 86.1205 86.2766 86.2994 86.4590 86.4903 86.6096 86.8802 87.0377 87.1976 87.2504 87.3928 87.5553 87.7047 87.7464 87.9830 88.0704 88.2138 88.4162 88.5633 88.6584 88.6880 88.8634 88.9810 89.1518 89.4267 89.4996 89.7255 89.8312 89.8805 90.0347 90.2697 90.3580 90.4549 90.6184 90.7384 90.7986 90.9822 91.0460 91.1413 91.3020 91.3920 91.7232 91.8133 91.9895 92.0275 92.2499 92.3643 92.5127 92.6148 92.7023 92.8812 92.9666 93.0180 93.1138 93.4882 93.5960 93.6819 93.9049 94.0298 94.1811 94.3750 94.4551 94.7190 94.7825 94.8020 94.9560 95.1523 95.2860 95.3364 95.5190 95.7520 95.8414 96.2155 96.3099 96.4543 96.5494 96.6877 96.7728 96.8712 97.1074 97.2312 97.3433 97.5615 97.6095 97.7957 97.8640 98.1148 98.1868 98.4302 98.5521 98.6296 98.7725 99.0731 99.1548 99.3880 99.5225 99.6530 99.7691 100.1251 100.3430 100.4849 100.6073 101.0967 101.1380 101.3215 101.5796 101.8224 101.9602 102.1696 102.6085 102.6495 102.8264 102.9478 103.0605 103.2725 103.3484 103.4910 103.7644 103.8523 103.9929 104.1513 104.3183 104.5055 104.7510 104.8975 105.0214 105.0844 105.2201 105.3900 105.4894 105.6632 105.9428 105.9666 106.0737 106.2368 106.4662 106.6799 106.8194 106.9625 107.1346 107.2077 107.3124 107.5404 107.6588 107.8640 108.0164 108.1792 108.2801 108.3408 108.4930 108.7762 108.9741 109.0731 109.2771 109.3830 109.7219 109.9726 110.1369 110.2359 110.3087 110.3756 110.6265 110.7933 110.9955 111.0553 111.2481 111.3550 111.4018 111.6401 111.7230 112.0220 112.1544 112.6554 112.8602 113.0893 113.2117 113.2784 113.5583 113.6590 113.8600 113.9224 114.2270 114.3834 114.4894 114.5350 114.7822 114.8550 115.2204 115.2795 115.5158 115.6554 115.8356 115.9281 116.1494 116.3827 116.5959 116.8883 117.0330 117.2465 117.5333 117.6828 117.8294 117.8997 118.0082 118.2698 118.4034 118.5548 118.7016 118.7361 118.9499 119.1160 119.4144 119.4711 119.6559 119.8322 120.0111 120.2089 120.4277 120.6979 120.7647 120.9323 121.5058 121.6515 121.8758 122.1519 122.3946 122.7982 123.0253 123.1389 123.3992 123.7864 123.9140 124.0316 124.7377 124.9220 125.2535 125.7243 125.9475 126.0636 126.6649 126.8851 127.0542 127.3888 127.7628 128.0809 128.4336 128.9674 129.2423 129.5159 129.6701 129.8912 130.1124 130.4588 130.5815 130.6549 130.7665 131.0024 131.1347 131.6715 131.8181 132.0206 132.2204 132.6234 132.6991 132.8979 133.2604 133.4424 133.5142 133.9862 134.2258 134.3329 134.3974 134.7843 135.2143 135.3465 135.5149 135.8134 136.1400 136.4404 136.7192 137.1934 137.2063 137.3209 138.0730 138.4192 138.4848 138.6903 139.1045 139.2408 139.3512 139.4761 139.8438 139.9434 140.6429 140.9820 141.4637 141.6963 141.8670 142.2034 142.5148 142.6091 142.8065 143.3298 143.7499 143.9517 144.2106 144.4262 144.8021 145.1432 145.3702 146.0189 146.2835 146.4567 146.9762 147.1242 147.1486 147.4265 147.8835 148.0093 148.0826 148.2599 148.3095 148.6049 149.0232 149.2484 149.3925 149.6340 150.3015 150.4860 150.6780 151.0245 151.2877 151.5161 152.2510 152.5868 152.8184 153.3036 153.6907 153.8854 154.1939 154.2268 154.9253 155.3192 155.3975 156.0489 156.4574 156.6433 157.3917 157.5616 157.9829 158.1392 158.6540 159.0214 159.5749 160.0736 160.5689 160.5915 161.2859 161.5519 161.7089 163.4234 164.0578 164.5598 165.9146 166.2197 167.1582 168.1160 168.3716 168.5201 169.0148 171.3467 171.8436 172.2405 173.0454 174.3446 174.6907 175.8282 177.1826 177.5529 180.5126 181.0643 182.8545 183.5555 184.4007 186.2238 186.7165 187.0723 188.1640 188.2227 188.2903 188.3322 188.4426 188.4556 188.6491 188.6988 188.8579 188.8902 189.1020 189.2405 189.3059 189.4354 190.0859 190.1523 191.7300 192.4883 192.8502 192.9929 193.5021 194.3187 194.3263 194.6914 194.9302 195.1490 196.1942 196.8909 198.7452 199.0433 199.2012 201.9009 202.2079 202.3808 202.4479 203.3483 203.7460 204.2739 205.1479 207.2434 208.7081 209.8363 209.9961 221.9034 223.6771 223.9379 227.5992 227.7288 227.9574 228.0235 228.5795 230.0574 230.2210 231.3789 232.6954 233.0606 233.8473 235.3553 238.6391 239.8101 240.7904 242.3283 243.3975 244.1424 245.4652 246.0079 246.3032 247.2812 247.9217 247.9757 249.1698 250.6402 251.0887 295.4078 298.4462 313.0638 615.2758 619.9704 623.7580 624.7298 628.2776 632.2396 632.8550 634.1138 635.1689 635.3770 636.1161 636.5302 637.3894 639.1553 640.9050 641.6439 648.0053 653.4161 660.3985 716.6675 882.0555 888.7122 895.5469 904.5963 1199.4218 1209.8436 1558.3593 1560.7984 1563.4132 1564.4207 1567.3198 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 -0.042699 -0.168443 -0.179082 -0.172370 -0.151947 -0.140943 -0.287596 -0.339093 0.137973 -0.330385 -0.297301 -0.245948 0.033678 0.009174 -0.132140 0.003264 0.376151 -0.147759 0.005855 -0.008679 -0.097429 -0.093020 0.335931 0.244624 -0.156756 -0.141966 0.457693 -0.215894 -0.150129 -0.070700 0.199000 0.130556 0.118366 0.091846 0.131391 0.106582 0.052688 0.126049 0.138300 0.133836 0.143911 0.132032 0.137105 0.164372 0.159904 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 17.0427 9.1684 9.1791 9.1724 9.1519 9.1409 8.2876 8.3391 6.8620 7.3304 7.2973 7.2459 5.9663 5.9908 6.1321 5.9967 5.6238 6.1478 5.9941 6.0087 6.0974 6.0930 5.6641 5.7554 6.1568 6.1420 5.5423 6.2159 6.1501 6.0707 5.8010 0.8694 0.8816 0.9082 0.8686 0.8934 0.9473 0.8740 0.8617 0.8662 0.8561 0.8680 0.8629 0.8356 0.8401 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 -0.0427 -0.1684 -0.1791 -0.1724 -0.1519 -0.1409 -0.2876 -0.3391 0.1380 -0.3304 -0.2973 -0.2459 0.0337 0.0092 -0.1321 0.0033 0.3762 -0.1478 0.0059 -0.0087 -0.0974 -0.0930 0.3359 0.2446 -0.1568 -0.1420 0.4577 -0.2159 -0.1501 -0.0707 0.1990 0.1306 0.1184 0.0918 0.1314 0.1066 0.0527 0.1260 0.1383 0.1338 0.1439 0.1320 0.1371 0.1644 0.1599 1.2842 1.1531 1.1235 1.1326 1.1677 1.1857 2.0216 2.1917 3.3483 2.8837 3.1189 3.1609 3.8048 3.5487 3.8821 3.9513 3.7085 4.0529 4.0360 3.9629 3.5124 4.0047 4.2845 3.7692 3.8299 4.0130 4.4286 3.9342 3.9851 3.9086 4.4064 1.0062 0.9984 0.9961 1.0205 1.0149 1.0144 1.0129 1.0085 1.0249 1.0176 1.0018 0.9997 1.0350 1.0272 1.2842 1.1531 1.1235 1.1326 1.1677 1.1857 2.0216 2.1917 3.3483 2.8837 3.1189 3.1609 3.8048 3.5487 3.8821 3.9513 3.7085 4.0529 4.0360 3.9629 3.5124 4.0047 4.2845 3.7692 3.8299 4.0130 4.4286 3.9342 3.9851 3.9086 4.4064 1.0062 0.9984 0.9961 1.0205 1.0149 1.0144 1.0129 1.0085 1.0249 1.0176 1.0018 0.9997 1.0350 1.0272 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 1.1300 1.1216 1.0726 1.0887 1.1437 1.1676 0.9742 1.0087 2.1465 1.0552 0.9513 1.2616 1.5436 1.6148 1.3881 1.2707 0.9685 0.9701 1.3531 1.4254 1.3404 0.8893 1.3415 0.9875 0.9831 1.0303 0.8055 1.4514 0.9665 1.4284 0.9910 0.9735 0.9458 1.2948 1.4209 0.9622 0.9612 0.8952 1.4300 0.9990 1.4739 0.9700 1.4061 0.9900 1.4260 0.9788 0.9748 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 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 -0.027021819 -2061.566011614161 -32.55634 33.08024 0.52390 3.70670 -5.01566 -1.30896 -11.60795 11.79552 0.18758 1.42233 3.61528