Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 Cl Cl O O O N 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 1 1 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-2.8711,4.1971,1.8139;-4.3321,4.9952,-.5494;1.0173,-.0434,-1.6375;1.712,1.6709,-.3799;1.3651,-3.6374,2.0405;2.4377,-2.307,-3.5829;-1.282,1.2644,.6316;-1.0924,2.5767,-.0675;-.6301,1.3204,-.744;-.4549,.9773,1.8599;-2.6569,.6439,.6743;-2.228,3.3381,-.6336;.8153,1.052,-.8797;-3.0397,4.0784,.1092;2.3445,-.5464,-1.6543;2.7103,-1.1967,-.3402;2.381,-1.5257,-2.7431;1.838,-2.1309,.2085;3.8854,-.8574,.3048;2.1606,-2.7332,1.4152;4.1987,-1.4716,1.5103;3.3471,-2.4056,2.067;.2852,-4.1611,1.3795;-.9857,-3.8173,1.8108;.4649,-5.0483,.3276;-2.0904,-4.3775,1.1848;-.6459,-5.5931,-.2965;-1.9246,-5.2599,.1284;-.2929,3.1928,.3359;-1.2414,.9266,-1.5494;-.2881,-.0954,1.976;-.9877,1.3305,2.7442;.5166,1.4656,1.8449;-3.2355,.8392,-.228;-3.2251,1.0349,1.5198;-2.579,-.4383,.793;-2.401,3.3196,-1.703;3.0618,.2474,-1.8877;.9185,-2.3806,-.3059;4.5465,-.1126,-.1178;5.1144,-1.2129,2.0243;3.5852,-2.8838,3.0078;-1.1037,-3.1296,2.6382;1.4638,-5.3098,.0019;-3.0846,-4.1197,1.5251;-.5092,-6.2836,-1.1178;-2.7878,-5.6918,-.3593; 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 1585 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 216 Dim 1156 ENuc 2804.0562555301 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.885e-06 Time for diagonalization 0.560 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.517 sec Total time needed 1.090 sec 17 17 8 8 8 7 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 1 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-2.8711,4.1971,1.8139;-4.3321,4.9952,-.5494;1.0173,-.0434,-1.6375;1.712,1.6709,-.3799;1.3651,-3.6374,2.0405;2.4377,-2.307,-3.5829;-1.282,1.2644,.6316;-1.0924,2.5767,-.0675;-.6301,1.3204,-.744;-.4549,.9773,1.8599;-2.6569,.6439,.6743;-2.228,3.3381,-.6336;.8153,1.052,-.8797;-3.0397,4.0784,.1092;2.3445,-.5464,-1.6543;2.7103,-1.1967,-.3402;2.381,-1.5257,-2.7431;1.838,-2.1309,.2085;3.8854,-.8574,.3048;2.1606,-2.7332,1.4152;4.1987,-1.4716,1.5103;3.3471,-2.4056,2.067;.2852,-4.1611,1.3795;-.9857,-3.8173,1.8108;.4649,-5.0483,.3276;-2.0904,-4.3775,1.1848;-.6459,-5.5931,-.2965;-1.9246,-5.2599,.1284;-.2929,3.1928,.3359;-1.2414,.9266,-1.5494;-.2881,-.0954,1.976;-.9877,1.3305,2.7442;.5166,1.4656,1.8449;-3.2355,.8392,-.228;-3.2251,1.0349,1.5198;-2.579,-.4383,.793;-2.401,3.3196,-1.703;3.0618,.2474,-1.8877;.9185,-2.3806,-.3059;4.5465,-.1126,-.1178;5.1144,-1.2129,2.0243;3.5852,-2.8838,3.0078;-1.1037,-3.1296,2.6382;1.4638,-5.3098,.0019;-3.0846,-4.1197,1.5251;-.5092,-6.2836,-1.1178;-2.7878,-5.6918,-.3593; 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 4 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-2.8711,4.1971,1.8139;-4.3321,4.9952,-.5494;1.0173,-.0434,-1.6375;1.712,1.6709,-.3799;1.3651,-3.6374,2.0405;2.4377,-2.307,-3.5829;-1.282,1.2644,.6316;-1.0924,2.5767,-.0675;-.6301,1.3204,-.744;-.4549,.9773,1.8599;-2.6569,.6439,.6743;-2.228,3.3381,-.6336;.8153,1.052,-.8797;-3.0397,4.0784,.1092;2.3445,-.5464,-1.6543;2.7103,-1.1967,-.3402;2.381,-1.5257,-2.7431;1.838,-2.1309,.2085;3.8854,-.8574,.3048;2.1606,-2.7332,1.4152;4.1987,-1.4716,1.5103;3.3471,-2.4056,2.067;.2852,-4.1611,1.3795;-.9857,-3.8173,1.8108;.4649,-5.0483,.3276;-2.0904,-4.3775,1.1848;-.6459,-5.5931,-.2965;-1.9246,-5.2599,.1284;-.2929,3.1928,.3359;-1.2414,.9266,-1.5494;-.2881,-.0954,1.976;-.9877,1.3305,2.7442;.5166,1.4656,1.8449;-3.2355,.8392,-.228;-3.2251,1.0349,1.5198;-2.579,-.4383,.793;-2.401,3.3196,-1.703;3.0618,.2474,-1.8877;.9185,-2.3806,-.3059;4.5465,-.1126,-.1178;5.1144,-1.2129,2.0243;3.5852,-2.8838,3.0078;-1.1037,-3.1296,2.6382;1.4638,-5.3098,.0019;-3.0846,-4.1197,1.5251;-.5092,-6.2836,-1.1178;-2.7878,-5.6918,-.3593; -2050.65915473 2804.05625553 -4854.71541026 -8383.35621287 3528.64080261 -4095.20321547 2044.54406073 2.00299093 108.000032718495 108.000032718495 216.000065436991 -151.871380918698 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.8128 -2765.7617 -525.3045 -524.7835 -523.4413 -392.7395 -283.7272 -283.0551 -283.0104 -281.9431 -281.7026 -280.9597 -280.8897 -280.6846 -280.5898 -280.5816 -280.5780 -280.2150 -280.1615 -280.1502 -280.1357 -280.0902 -280.0770 -280.0736 -280.0626 -280.0092 -279.7461 -279.5977 -261.0807 -261.0293 -199.9228 -199.8743 -199.6791 -199.6663 -199.6226 -199.6167 -34.2564 -33.2120 -31.6590 -28.6675 -28.2413 -27.8996 -27.3592 -26.9385 -26.1791 -25.5239 -24.3674 -24.3171 -24.0051 -23.8733 -23.4818 -23.1477 -22.3262 -21.4153 -20.8634 -20.2115 -20.0176 -19.3960 -19.3102 -18.7243 -18.3738 -18.2789 -17.6644 -17.2335 -17.1241 -16.5965 -16.4263 -16.3072 -16.2950 -16.1300 -15.9260 -15.8200 -15.3796 -15.1695 -14.9763 -14.9682 -14.6338 -14.5473 -14.2532 -14.1606 -14.0963 -14.0605 -13.8733 -13.5169 -13.3731 -13.2076 -13.1143 -13.0586 -12.9801 -12.8253 -12.7474 -12.4687 -12.4192 -12.2224 -12.1699 -12.1209 -11.9166 -11.8484 -11.4974 -11.3723 -11.0137 -10.9704 -10.6105 -9.8520 -9.6667 -9.5015 -9.3261 -8.8153 0.7804 1.2707 1.3538 1.4324 1.6280 1.8422 2.3363 2.5801 2.7336 2.9861 3.0577 3.4250 3.5362 3.6785 3.7840 3.8640 4.0845 4.1250 4.4174 4.5596 4.6308 4.7295 4.8424 4.8846 4.9423 5.1427 5.1755 5.5083 5.6083 5.6999 5.7317 5.8839 5.9571 6.0453 6.2047 6.2951 6.3830 6.4601 6.7089 6.9347 7.1502 7.2111 7.2975 7.3345 7.5096 7.5778 7.7096 7.8323 7.8974 7.9948 8.1181 8.1843 8.2306 8.3306 8.4008 8.5825 8.6131 8.6735 8.7112 8.7671 8.9877 9.0023 9.1458 9.2605 9.3143 9.3827 9.4314 9.6839 9.8111 9.9149 9.9480 10.2162 10.2693 10.3674 10.4202 10.5053 10.7263 10.8117 10.9445 11.0039 11.0564 11.1231 11.1679 11.2816 11.4254 11.4860 11.6036 11.6828 11.7293 11.8358 11.9120 12.1150 12.1837 12.2277 12.3726 12.4028 12.4770 12.5238 12.5666 12.6917 12.7469 12.8492 13.0503 13.0603 13.1177 13.2343 13.4006 13.4539 13.5252 13.6416 13.7203 13.7957 13.8305 13.9402 14.0648 14.1288 14.2261 14.3010 14.3908 14.4780 14.5872 14.6436 14.7259 14.9727 15.0337 15.0487 15.0930 15.1089 15.1977 15.3358 15.4162 15.5233 15.5688 15.7212 15.8814 15.9058 15.9931 16.0761 16.1768 16.2516 16.3887 16.4713 16.5328 16.6726 16.7820 16.9219 17.1480 17.2127 17.4406 17.4758 17.5983 17.6707 17.9974 18.0421 18.1807 18.3806 18.5299 18.5636 18.8993 19.1438 19.2216 19.4177 19.5899 19.7025 19.7676 19.8371 20.0134 20.1634 20.2412 20.3584 20.4389 20.5066 20.5773 20.6796 20.7080 20.9069 20.9537 20.9851 21.2174 21.4024 21.4279 21.5012 21.5592 21.6005 21.8691 22.0689 22.2326 22.4977 22.6198 22.7465 22.8648 22.9435 23.1501 23.2106 23.4167 23.4991 23.7062 23.7263 23.9017 24.0855 24.1935 24.4347 24.5656 24.6766 24.8017 24.9415 25.0952 25.3018 25.3630 25.4014 25.7730 25.8021 26.0829 26.2618 26.3582 26.4778 26.7476 26.8190 27.0682 27.2489 27.3011 27.3698 27.5491 27.6866 27.8471 28.0817 28.1560 28.2327 28.3851 28.5369 28.6577 28.7814 28.9444 29.0789 29.1971 29.2663 29.4507 29.5088 29.5763 29.7139 29.8469 30.1254 30.2441 30.2855 30.3668 30.5837 30.6704 30.8591 30.9622 31.1191 31.4172 31.6410 31.7154 31.8556 31.9888 32.0282 32.1205 32.2542 32.4866 32.6336 32.7509 32.8307 32.9230 33.0979 33.2319 33.3385 33.4631 33.5113 33.7077 33.8836 33.9437 34.1742 34.4313 34.4498 34.7505 34.7823 35.1076 35.1482 35.3504 35.3693 35.4940 35.5469 35.7517 35.8578 36.1219 36.2172 36.2691 36.4538 36.5406 36.7598 36.7911 37.0195 37.0865 37.1806 37.3382 37.4667 37.6359 37.6984 37.7950 37.9647 38.0546 38.1138 38.2070 38.3154 38.5439 38.6032 38.6660 38.8095 38.8697 38.9717 39.1838 39.3357 39.4953 39.6734 39.8115 39.9928 40.0844 40.3312 40.4152 40.7021 40.7741 40.8955 41.0134 41.1525 41.3791 41.4747 41.5664 41.6971 41.9452 42.0473 42.1081 42.4535 42.6478 42.6741 42.7408 42.9031 42.9754 43.1171 43.2129 43.3700 43.6691 43.8266 43.9198 44.0316 44.1929 44.4222 44.4880 44.6791 44.8098 44.9846 45.0250 45.1727 45.3273 45.5555 45.6988 45.7526 45.9664 46.1030 46.3020 46.4825 46.5586 46.7273 46.8687 46.9728 47.1624 47.3880 47.5832 47.7884 47.8374 48.0792 48.0983 48.2234 48.4671 48.7412 48.7961 48.8803 49.2549 49.3451 49.5043 49.7872 49.9203 49.9456 50.0228 50.2143 50.4876 50.5320 50.7830 50.8717 51.0027 51.0951 51.1924 51.4875 51.6351 51.6997 51.9997 52.1322 52.4438 52.5928 52.6949 52.7970 52.9250 53.2190 53.2455 53.3765 53.6144 53.8776 54.1328 54.2360 54.4980 54.7753 54.9376 55.2458 55.3240 55.4708 55.7180 55.7484 56.1435 56.3122 56.4803 56.7009 56.7977 56.9138 56.9505 57.0630 57.3088 57.4299 57.6822 57.9795 58.0338 58.1009 58.1769 58.5658 58.8540 59.0064 59.0976 59.3828 59.4721 59.7105 59.8230 60.0709 60.2256 60.3785 60.4667 60.7937 60.9779 61.3812 61.4749 61.5993 61.9703 62.2058 62.4024 62.8191 63.0147 63.2361 63.3763 63.4415 63.6756 63.7002 63.9084 64.1900 64.2966 64.5131 64.6738 64.8101 65.0590 65.3221 65.4763 65.5621 65.7200 65.8377 66.0230 66.2428 66.4823 66.5969 66.9355 67.0749 67.1463 67.4310 67.5266 67.6801 67.9569 68.1887 68.2980 68.3544 68.5843 68.9162 69.0863 69.4169 69.5329 69.7094 69.9156 70.0833 70.7148 71.2208 71.3333 71.7177 71.8818 72.1435 72.5843 72.8563 73.0204 73.1689 73.5030 73.5824 73.8230 74.0384 74.2252 74.4747 74.7403 74.8035 75.1114 75.1583 75.2978 75.4810 75.7599 75.9273 76.2582 76.3411 76.5414 76.5702 76.6662 76.8988 77.2111 77.2428 77.5754 77.6384 77.8750 78.0026 78.2406 78.3034 78.4897 78.5387 78.5945 78.6725 78.7978 79.1229 79.1516 79.3384 79.3721 79.4589 79.7641 79.8084 79.9632 80.0504 80.3906 80.5919 80.7389 80.7976 81.0179 81.0529 81.1428 81.4086 81.5756 81.6987 81.7760 81.9243 82.0406 82.1715 82.2815 82.3952 82.7034 82.7856 82.9596 83.0929 83.2591 83.3632 83.4765 83.6178 83.8885 83.9836 84.2550 84.3415 84.4034 84.7676 84.8963 84.9563 85.1006 85.1054 85.2127 85.2563 85.3624 85.5292 85.6101 85.8348 85.9251 86.0301 86.1064 86.1899 86.2996 86.3620 86.6818 86.8100 86.9000 87.0004 87.0460 87.2757 87.4451 87.6142 87.6922 87.8176 87.9104 88.0330 88.2690 88.3099 88.3685 88.5220 88.6096 88.8492 88.9393 89.1407 89.1865 89.3468 89.5497 89.6086 89.6870 89.8067 89.9452 90.1449 90.3121 90.4752 90.4908 90.6749 90.7163 90.8886 91.1268 91.2868 91.4346 91.4731 91.6218 91.6516 91.8489 92.2189 92.2796 92.3388 92.3851 92.5772 92.6998 92.7410 92.9196 92.9939 93.0533 93.2163 93.3468 93.4796 93.6978 93.7478 93.9473 93.9708 94.1056 94.2172 94.3249 94.6906 94.7118 94.8610 94.9047 95.1617 95.1656 95.2667 95.3220 95.4358 95.5320 95.6685 95.7105 95.9617 96.0864 96.2758 96.4394 96.5787 96.7688 96.8902 96.9598 97.1258 97.2211 97.2808 97.4988 97.7156 97.9559 98.0541 98.2274 98.3364 98.5818 98.7241 98.8446 98.9694 99.0917 99.3182 99.4165 99.5537 99.8425 100.0289 100.1475 100.1737 100.3828 100.9306 101.0797 101.3161 101.3359 101.4486 101.6044 101.6291 101.8116 102.2037 102.3310 102.4376 102.7567 103.0396 103.1684 103.6253 103.7634 103.8670 104.0647 104.1075 104.5500 104.6953 104.9341 104.9837 105.0747 105.1242 105.2702 105.3852 105.4362 105.6204 105.7710 105.8353 106.1236 106.2302 106.2649 106.5263 106.7137 106.7705 106.9211 106.9829 107.1265 107.2709 107.3697 107.5264 107.6452 108.1660 108.4307 108.5114 108.7179 108.8437 108.9961 109.1056 109.3615 109.5499 109.7974 109.9774 110.1529 110.4208 110.4496 110.5505 110.7270 110.7938 110.9007 111.1880 111.2211 111.4502 111.5759 111.8201 111.9634 112.0420 112.4471 112.8153 112.8993 112.9991 113.0943 113.3430 113.5848 113.6799 113.7393 114.0255 114.1088 114.1817 114.4555 114.5058 114.7479 114.9723 115.2352 115.3322 115.6264 115.7215 115.8136 115.9190 116.2044 116.4126 116.5460 116.6814 116.7364 116.9442 117.0754 117.2104 117.3556 117.4341 117.5536 117.6933 117.7909 118.0058 118.0815 118.2919 118.3347 118.4468 118.6655 118.6914 118.8215 119.0551 119.2723 119.4070 119.5985 119.7925 119.8338 119.9985 120.1276 120.5131 120.6158 120.6917 120.8004 120.9490 121.0068 121.3574 121.5548 121.9880 122.2412 122.4332 122.7014 122.7434 122.9047 123.1442 123.7056 124.0904 124.3004 124.4765 124.8003 125.0609 125.1210 125.3203 126.0108 126.0589 126.4570 126.5386 126.8375 127.0233 127.2110 127.6878 127.9248 128.0393 128.3621 128.7121 128.8177 129.0767 129.1677 129.2916 129.4339 129.6311 129.7491 130.0221 130.3763 130.4283 130.5644 130.6457 131.0253 131.1186 131.5236 131.6943 131.7859 132.0195 132.2105 132.3567 132.4978 132.6168 133.0953 133.3965 133.6197 133.8110 134.0894 134.4813 134.6502 135.0283 135.3111 135.3913 135.5817 135.7397 136.4644 137.0501 137.2777 137.5950 137.6795 138.0324 138.2275 138.2846 138.5427 138.6917 139.4218 139.4698 139.6307 139.8368 140.2734 140.8810 141.0724 141.4916 141.7996 141.8284 142.4608 142.9610 143.2271 143.8384 143.9464 143.9804 144.0630 144.2836 144.3206 144.6723 144.8392 145.1275 145.1967 145.5756 145.7739 145.9161 145.9732 146.5991 146.8583 147.2979 147.4286 147.5557 147.8817 147.9616 148.2497 148.5595 148.6223 148.8717 149.2765 149.6916 149.7282 149.9769 150.1567 150.6219 150.9589 151.3521 151.4820 151.5294 151.6215 152.5364 153.1184 153.1841 153.8374 154.2059 154.3334 154.8046 154.8215 155.6570 155.8529 156.1349 156.2996 156.6120 156.7259 157.4114 157.9978 158.2428 158.7847 159.2006 159.3177 159.6088 159.8219 160.2369 160.9296 161.1468 161.4375 161.9075 162.4326 162.8047 163.9088 164.4211 165.6652 166.2686 167.4469 168.9547 169.5335 171.5542 172.3220 173.1269 174.3323 175.1470 175.7064 176.9217 178.2967 179.2197 182.0898 182.2716 184.7569 186.3885 186.9754 187.7975 189.4107 190.0750 191.2619 192.1492 193.2945 196.2783 196.5964 198.9913 201.0632 204.9297 206.6614 207.0098 221.2306 222.1756 222.3426 222.9450 223.2393 223.7980 225.7086 226.2010 228.1017 229.3255 294.5346 295.0647 295.7388 297.5799 308.8091 313.3370 608.3029 620.0820 621.2578 626.1231 629.2270 630.9063 631.9901 632.5634 633.8792 634.3893 634.4856 635.2962 636.4589 637.0353 637.4158 639.4381 642.2950 643.6308 647.7951 650.7252 657.3441 658.1744 703.4848 709.2589 876.6220 1200.3027 1212.8649 1215.6251 -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 Cl Cl O O O N 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 -0.038371 -0.038105 -0.266628 -0.352745 -0.292524 -0.002274 0.083263 -0.045968 -0.085975 -0.239516 -0.243621 -0.197729 0.302508 0.065436 0.329445 0.048256 -0.260125 -0.243486 -0.153977 0.255071 -0.075728 -0.213630 0.235664 -0.188227 -0.162746 -0.116044 -0.111793 -0.122871 0.115466 0.090271 0.076232 0.093689 0.101716 0.084303 0.094005 0.092939 0.119024 0.122161 0.129111 0.106821 0.127049 0.128434 0.128407 0.134158 0.128199 0.131996 0.128460 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 Cl Cl O O O N 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 17.0384 17.0381 8.2666 8.3527 8.2925 7.0023 5.9167 6.0460 6.0860 6.2395 6.2436 6.1977 5.6975 5.9346 5.6706 5.9517 6.2601 6.2435 6.1540 5.7449 6.0757 6.2136 5.7643 6.1882 6.1627 6.1160 6.1118 6.1229 0.8845 0.9097 0.9238 0.9063 0.8983 0.9157 0.9060 0.9071 0.8810 0.8778 0.8709 0.8932 0.8730 0.8716 0.8716 0.8658 0.8718 0.8680 0.8715 17.0000 17.0000 8.0000 8.0000 8.0000 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 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 -0.0384 -0.0381 -0.2666 -0.3527 -0.2925 -0.0023 0.0833 -0.0460 -0.0860 -0.2395 -0.2436 -0.1977 0.3025 0.0654 0.3294 0.0483 -0.2601 -0.2435 -0.1540 0.2551 -0.0757 -0.2136 0.2357 -0.1882 -0.1627 -0.1160 -0.1118 -0.1229 0.1155 0.0903 0.0762 0.0937 0.1017 0.0843 0.0940 0.0929 0.1190 0.1222 0.1291 0.1068 0.1270 0.1284 0.1284 0.1342 0.1282 0.1320 0.1285 1.2911 1.2684 2.1206 2.1526 2.1179 3.1219 3.7612 3.8599 3.8207 3.8997 3.8995 3.8765 4.3144 4.1994 3.8282 3.6789 4.0286 3.9325 4.0333 3.8122 3.9521 4.0443 3.8018 4.0137 3.9855 3.9384 3.9438 3.9478 1.0247 1.0322 1.0072 1.0080 1.0192 1.0033 1.0076 1.0086 1.0150 1.0186 1.0289 1.0149 0.9994 1.0126 1.0101 1.0048 0.9994 0.9991 0.9997 1.2911 1.2684 2.1206 2.1526 2.1179 3.1219 3.7612 3.8599 3.8207 3.8997 3.8995 3.8765 4.3144 4.1994 3.8282 3.6789 4.0286 3.9325 4.0333 3.8122 3.9521 4.0443 3.8018 4.0137 3.9855 3.9384 3.9438 3.9478 1.0247 1.0322 1.0072 1.0080 1.0192 1.0033 1.0076 1.0086 1.0150 1.0186 1.0289 1.0149 0.9994 1.0126 1.0101 1.0048 0.9994 0.9991 0.9997 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 1.2027 1.1587 1.1428 0.8670 1.9929 1.0364 0.9091 3.0592 0.9377 0.8425 0.9578 0.9345 0.9522 0.9640 0.9873 1.0313 1.0058 0.9936 0.9876 0.9854 0.9882 0.9911 0.9903 1.8551 0.9791 0.8857 0.9363 1.0031 1.3415 1.4224 1.3594 0.9585 1.4318 0.9599 1.3859 1.4755 0.9759 0.9711 1.4176 1.3820 1.4243 0.9750 1.4351 0.9730 1.4332 0.9746 1.4247 0.9704 0.9754 0 13 1 13 2 12 2 14 3 12 4 19 4 22 5 16 6 7 6 8 6 9 6 10 7 8 7 11 7 28 8 12 8 29 9 30 9 31 9 32 10 33 10 34 10 35 11 13 11 36 14 15 14 16 14 37 15 17 15 18 17 19 17 38 18 20 18 39 19 21 20 21 20 40 21 41 22 23 22 24 23 25 23 42 24 26 24 43 25 27 25 44 26 27 26 45 27 46 -0.026790072 -2050.685944805321 9.90131 -10.37033 -0.46902 -27.97816 27.87876 -0.09940 5.76806 -5.00190 0.76616 0.90380 2.29729