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:-1.1287,6.0316,-.449;-3.6709,5.6281,-1.7493;.6685,.0304,-1.2085;1.4979,1.7281,-.0112;1.3766,-3.9986,2.0344;1.9123,-2.1387,-3.3764;-1.4664,1.826,1.0502;-1.2189,2.9347,.0708;-.8695,1.5103,-.308;-.6137,1.7845,2.295;-2.8726,1.3262,1.2826;-2.3059,3.6174,-.6405;.5523,1.1457,-.4641;-2.3523,4.917,-.9069;1.9836,-.4896,-1.3509;2.4364,-1.2238,-.1116;1.9262,-1.4026,-2.495;1.6623,-2.2757,.3649;3.6008,-.85,.5368;2.0787,-2.9729,1.4892;4.0023,-1.5497,1.6665;3.2535,-2.61,2.1416;.5027,-4.723,1.2692;.8936,-5.3039,.0694;-.7805,-4.9063,1.7591;-.0189,-6.0649,-.6436;-1.6799,-5.6814,1.0421;-1.3067,-6.2565,-.1627;-.359,3.5526,.302;-1.5376,1.0069,-.9978;-.4913,.7586,2.6472;-1.1036,2.3513,3.0883;.3766,2.2077,2.148;-3.3994,1.9779,1.9811;-2.8483,.3248,1.714;-3.4668,1.2688,.3713;-3.1431,3.0258,-.9894;2.6932,.3092,-1.5894;.7477,-2.5509,-.146;4.1859,-.0162,.1724;4.9107,-1.2664,2.1805;3.5666,-3.1621,3.0177;1.8985,-5.1634,-.3078;-1.0635,-4.4507,2.6988;.2829,-6.5125,-1.5809;-2.6803,-5.8281,1.4267;-2.0128,-6.8539,-.7229; 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 2724.9809802927 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 7.106e-06 Time for diagonalization 0.706 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.595 sec Total time needed 1.314 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:-1.1287,6.0316,-.449;-3.6709,5.6281,-1.7493;.6685,.0304,-1.2085;1.4979,1.7281,-.0112;1.3766,-3.9986,2.0344;1.9123,-2.1387,-3.3764;-1.4664,1.826,1.0502;-1.2189,2.9347,.0708;-.8695,1.5103,-.308;-.6137,1.7845,2.295;-2.8726,1.3262,1.2826;-2.3059,3.6174,-.6405;.5523,1.1457,-.4641;-2.3523,4.917,-.9069;1.9836,-.4896,-1.3509;2.4364,-1.2238,-.1116;1.9262,-1.4026,-2.495;1.6623,-2.2757,.3649;3.6008,-.85,.5368;2.0787,-2.9729,1.4892;4.0023,-1.5497,1.6665;3.2535,-2.61,2.1416;.5027,-4.723,1.2692;.8936,-5.3039,.0694;-.7805,-4.9063,1.7591;-.0189,-6.0649,-.6436;-1.6799,-5.6814,1.0421;-1.3067,-6.2565,-.1627;-.359,3.5526,.302;-1.5376,1.0069,-.9978;-.4913,.7586,2.6472;-1.1036,2.3513,3.0883;.3766,2.2077,2.148;-3.3994,1.9779,1.9811;-2.8483,.3248,1.714;-3.4668,1.2688,.3713;-3.1431,3.0258,-.9894;2.6932,.3092,-1.5894;.7477,-2.5509,-.146;4.1859,-.0162,.1724;4.9107,-1.2664,2.1805;3.5666,-3.1621,3.0177;1.8985,-5.1634,-.3078;-1.0635,-4.4507,2.6988;.2829,-6.5125,-1.5809;-2.6803,-5.8281,1.4267;-2.0128,-6.8539,-.7229; 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:-1.1287,6.0316,-.449;-3.6709,5.6281,-1.7493;.6685,.0304,-1.2085;1.4979,1.7281,-.0112;1.3766,-3.9986,2.0344;1.9123,-2.1387,-3.3764;-1.4664,1.826,1.0502;-1.2189,2.9347,.0708;-.8695,1.5103,-.308;-.6137,1.7845,2.295;-2.8726,1.3262,1.2826;-2.3059,3.6174,-.6405;.5523,1.1457,-.4641;-2.3523,4.917,-.9069;1.9836,-.4896,-1.3509;2.4364,-1.2238,-.1116;1.9262,-1.4026,-2.495;1.6623,-2.2757,.3649;3.6008,-.85,.5368;2.0787,-2.9729,1.4892;4.0023,-1.5497,1.6665;3.2535,-2.61,2.1416;.5027,-4.723,1.2692;.8936,-5.3039,.0694;-.7805,-4.9063,1.7591;-.0189,-6.0649,-.6436;-1.6799,-5.6814,1.0421;-1.3067,-6.2565,-.1627;-.359,3.5526,.302;-1.5376,1.0069,-.9978;-.4913,.7586,2.6472;-1.1036,2.3513,3.0883;.3766,2.2077,2.148;-3.3994,1.9779,1.9811;-2.8483,.3248,1.714;-3.4668,1.2688,.3713;-3.1431,3.0258,-.9894;2.6932,.3092,-1.5894;.7477,-2.5509,-.146;4.1859,-.0162,.1724;4.9107,-1.2664,2.1805;3.5666,-3.1621,3.0177;1.8985,-5.1634,-.3078;-1.0635,-4.4507,2.6988;.2829,-6.5125,-1.5809;-2.6803,-5.8281,1.4267;-2.0128,-6.8539,-.7229; -2050.66142065 2724.98098029 -4775.64240094 -8225.27197723 3449.62957629 -4095.20384218 2044.54242153 2.00299285 107.999815954300 107.999815954300 215.999631908600 -151.872615292108 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 -2765.7149 -2765.6648 -525.3497 -524.7788 -523.4526 -392.7666 -283.7752 -283.0282 -282.9761 -281.9311 -281.6741 -280.9886 -280.9857 -280.7022 -280.6779 -280.6662 -280.6025 -280.2330 -280.1949 -280.1158 -280.0997 -280.0563 -280.0410 -279.9870 -279.9678 -279.9022 -279.8849 -279.6465 -260.9836 -260.9329 -199.8267 -199.7780 -199.5785 -199.5710 -199.5255 -199.5209 -34.2827 -33.1943 -31.6799 -28.5764 -28.2736 -27.9646 -27.3708 -26.8661 -26.0800 -25.5604 -24.3711 -24.3548 -23.9455 -23.8660 -23.4815 -23.1502 -22.4210 -21.4686 -20.8704 -20.2508 -19.9126 -19.4071 -19.2899 -18.7061 -18.4550 -18.3139 -17.7373 -17.2124 -17.1106 -16.5732 -16.4965 -16.3155 -16.3072 -16.0785 -15.9611 -15.6482 -15.2248 -15.0545 -15.0257 -14.9881 -14.6254 -14.5300 -14.3128 -14.1635 -14.0953 -14.0535 -13.8664 -13.5701 -13.4571 -13.1970 -13.1573 -13.0974 -12.9946 -12.8390 -12.6936 -12.4882 -12.3995 -12.2295 -12.1662 -12.0216 -11.9187 -11.7877 -11.6800 -11.5219 -11.2656 -10.8791 -10.6342 -9.8496 -9.6199 -9.5383 -9.0749 -8.6724 0.7760 1.1942 1.3142 1.5238 1.8381 2.0355 2.4666 2.5891 2.6955 2.9950 3.0906 3.3803 3.5553 3.8177 3.8556 3.9552 4.2054 4.2523 4.3925 4.5664 4.5895 4.7687 4.8151 4.8707 4.9483 5.0627 5.2646 5.3645 5.4640 5.6377 5.7452 5.7964 5.9525 6.0808 6.2424 6.2905 6.3668 6.4359 6.7436 6.7910 7.0457 7.1640 7.2371 7.3864 7.4403 7.5132 7.5801 7.7275 7.7590 7.8219 7.9095 7.9614 8.2138 8.2687 8.2975 8.4140 8.5097 8.6127 8.6717 8.7581 8.8511 9.1585 9.2055 9.3379 9.4053 9.5431 9.5808 9.5953 9.7448 9.8930 9.9706 10.0108 10.2472 10.2857 10.4442 10.4840 10.5734 10.7766 10.8251 10.8327 10.9805 11.0572 11.1998 11.3307 11.3514 11.4470 11.5373 11.5962 11.7117 11.8117 11.8285 11.8897 11.9525 12.0535 12.1560 12.2553 12.3964 12.4378 12.6090 12.6409 12.6756 12.7571 12.7811 12.9120 13.0195 13.1400 13.2041 13.4198 13.4286 13.5044 13.5491 13.6047 13.7940 13.8388 13.8952 14.0867 14.1311 14.2261 14.2494 14.3843 14.4588 14.5080 14.5731 14.7485 14.8574 14.9404 15.0544 15.0891 15.1282 15.2078 15.2616 15.3790 15.5162 15.6041 15.7265 15.8003 16.0269 16.0384 16.1358 16.1749 16.2450 16.2985 16.3699 16.4905 16.6029 16.7368 16.7643 16.9561 16.9846 17.1193 17.4133 17.4469 17.5516 17.6925 17.8799 18.1483 18.3873 18.4798 18.6431 18.7978 18.9931 19.0778 19.2251 19.4634 19.5681 19.5959 19.8605 20.0540 20.1217 20.2108 20.2330 20.3965 20.4363 20.5798 20.5973 20.6569 20.7701 21.0115 21.1431 21.2965 21.3521 21.4522 21.5207 21.6703 21.8149 21.8870 21.9880 22.2205 22.4081 22.4938 22.6833 22.8001 23.0023 23.0951 23.2681 23.3499 23.4183 23.5957 23.6981 23.7783 23.9114 24.0836 24.2169 24.3939 24.5177 24.6826 24.7778 24.9558 24.9891 25.3480 25.4185 25.6952 25.9941 26.1708 26.3072 26.3792 26.4949 26.6518 26.7758 26.9068 27.0419 27.1945 27.2890 27.5265 27.7674 27.8207 27.9742 28.0825 28.0915 28.3125 28.4560 28.6116 28.7201 28.9228 29.0021 29.0197 29.1577 29.2420 29.5206 29.5983 29.6866 29.8634 29.9688 30.1340 30.1928 30.2633 30.3964 30.6420 30.8850 30.9271 31.1495 31.2237 31.5186 31.5721 31.6924 31.8884 31.9580 32.1912 32.2756 32.3878 32.5710 32.6796 32.7063 32.8358 33.0516 33.2747 33.3562 33.5226 33.6716 33.8576 33.9349 33.9998 34.0984 34.2676 34.5447 34.5585 34.8423 34.9395 35.0141 35.3738 35.3777 35.4453 35.5250 35.7452 35.8832 35.9740 36.0835 36.1694 36.2848 36.4125 36.5374 36.7578 36.9413 37.0652 37.3413 37.5169 37.5771 37.6808 37.7387 37.8184 37.8606 38.0638 38.2017 38.3441 38.3968 38.5701 38.5893 38.8301 38.9628 39.0592 39.1357 39.2027 39.3377 39.4357 39.5431 39.9664 40.1722 40.2368 40.4406 40.5031 40.6054 40.8223 40.9087 40.9695 41.0903 41.3452 41.3949 41.5837 41.9086 41.9217 42.0476 42.3010 42.4055 42.5060 42.6637 42.8205 42.9595 43.0881 43.1560 43.3229 43.5435 43.5820 43.7359 43.8721 43.9933 44.1062 44.2582 44.3186 44.4182 44.4923 44.5766 44.8830 45.2504 45.3323 45.3828 45.5712 45.6671 45.7853 45.9907 46.0149 46.2055 46.2459 46.3875 46.7205 46.8699 46.9841 47.1794 47.2997 47.5176 47.8010 47.9559 48.0222 48.2216 48.3214 48.5096 48.5870 48.6874 49.1413 49.3184 49.4073 49.4994 49.8564 50.0269 50.1808 50.2474 50.5243 50.6720 50.7365 50.9098 51.1118 51.1472 51.4166 51.4568 51.6101 51.8048 52.0570 52.1862 52.3501 52.3928 52.5139 52.6802 52.7257 52.8796 53.1399 53.3616 53.6424 53.6709 53.9607 54.2670 54.6116 54.8048 55.1094 55.2695 55.5239 55.6834 55.8075 56.0495 56.1377 56.4021 56.6127 56.8130 56.9293 56.9611 57.1372 57.3065 57.5816 57.7150 57.9494 58.1363 58.1686 58.3683 58.4636 58.6968 58.9148 59.1280 59.2629 59.3970 59.6004 59.7841 59.9804 60.0722 60.3035 60.3531 60.7521 60.8665 61.2091 61.4256 61.6773 61.8769 62.2106 62.3394 62.5608 62.9402 63.0983 63.1455 63.2881 63.3545 63.6879 63.7176 63.9402 64.0709 64.3319 64.5080 64.7032 64.9481 65.1181 65.3219 65.3600 65.4851 65.5687 65.6819 66.0586 66.2602 66.4794 66.6422 67.0043 67.2945 67.4631 67.5734 67.6686 67.8590 68.1259 68.1747 68.3531 68.6313 68.9071 69.0037 69.1983 69.5263 69.8380 70.0736 70.2291 70.3758 70.9976 71.2905 71.7252 71.8587 72.3356 72.5677 72.7760 72.8502 73.0836 73.1137 73.4424 73.7100 74.0432 74.0773 74.2394 74.4000 74.4857 74.6315 75.0801 75.2740 75.5577 75.6901 75.7531 75.9349 76.2526 76.4119 76.6310 76.6863 76.7944 77.1395 77.2489 77.4315 77.5637 77.6713 77.9167 77.9966 78.0891 78.2349 78.5485 78.6076 78.7307 78.8482 78.9321 78.9470 79.1973 79.3023 79.3907 79.5316 79.6569 79.8163 79.8979 79.9579 80.1000 80.3094 80.4721 80.7615 80.8703 81.0095 81.2123 81.3292 81.5329 81.6854 81.8011 81.8347 82.0558 82.1394 82.2519 82.4864 82.6028 82.6108 82.7798 82.8850 83.1495 83.2545 83.4772 83.5842 83.8224 84.0309 84.0753 84.2391 84.4357 84.5261 84.6147 84.6760 84.8004 84.9270 85.0842 85.1685 85.3187 85.3768 85.4238 85.5486 85.5893 85.8579 85.9526 86.1408 86.2239 86.3368 86.4152 86.6552 86.8859 86.9767 87.1675 87.2765 87.4885 87.6276 87.7519 87.9937 88.0691 88.2458 88.3192 88.3627 88.4636 88.5950 88.8373 88.8677 88.9713 88.9871 89.2238 89.3319 89.4203 89.5235 89.5899 89.6928 89.8808 89.9702 90.2419 90.3982 90.5527 90.6383 90.8012 90.9546 91.0975 91.1937 91.2264 91.5770 91.7040 91.7702 92.1109 92.1456 92.3111 92.3653 92.4551 92.5079 92.6878 92.7284 92.8699 92.9943 93.2131 93.2770 93.4129 93.4882 93.5833 93.7640 93.8817 93.9563 94.0592 94.4337 94.5399 94.5976 94.7581 94.8321 94.9109 95.1438 95.2066 95.3210 95.3460 95.4240 95.6369 95.9546 96.0256 96.1336 96.2996 96.5469 96.6617 96.8725 96.9295 97.0717 97.1410 97.2398 97.3362 97.4147 97.5661 97.9699 98.1383 98.1617 98.1885 98.3568 98.4943 98.6519 98.7965 98.9522 99.0768 99.1652 99.3863 99.5754 99.9177 100.0191 100.2189 100.4561 100.6057 100.8912 101.0614 101.2376 101.2651 101.7762 101.9742 102.1171 102.2273 102.3078 102.5266 102.6058 102.7954 103.2457 103.4646 103.6864 103.9068 104.1352 104.1909 104.3240 104.5435 104.7492 104.8499 105.0113 105.1877 105.2644 105.3504 105.4267 105.4738 105.6745 105.6934 106.0576 106.1020 106.2709 106.3958 106.5645 106.6621 106.8691 106.9836 107.1692 107.3618 107.3743 107.4339 107.7106 108.0214 108.0918 108.3307 108.7366 108.9392 108.9458 109.1984 109.2904 109.4455 109.5988 109.8713 109.9410 110.1467 110.2872 110.4218 110.6238 110.6953 110.8946 110.9497 111.1755 111.1984 111.3468 111.4320 111.7725 111.8940 111.9659 112.4145 112.7281 112.7380 113.0078 113.1714 113.3988 113.5243 113.6896 113.9085 114.0406 114.2618 114.5158 114.5479 114.7458 114.8576 115.0689 115.3163 115.5123 115.6475 115.8630 115.8874 116.1300 116.1684 116.3037 116.4435 116.5293 116.6829 116.8411 116.9464 117.0712 117.1970 117.2526 117.4396 117.6851 117.9117 117.9475 118.1494 118.3402 118.3598 118.4079 118.5012 118.8132 118.9289 118.9942 119.4091 119.5019 119.8624 119.9357 120.0311 120.2167 120.4129 120.7093 120.8516 120.9259 121.0707 121.2419 121.4122 121.7417 121.8005 121.9674 122.4192 122.6894 122.7498 123.0995 123.5082 123.5829 123.6666 124.0143 124.2500 125.0630 125.2054 125.4686 125.6351 125.7611 125.9486 126.4258 126.4843 126.6146 127.0670 127.3978 127.8131 127.9422 127.9821 128.4740 128.6599 128.8621 128.8982 128.9942 129.1018 129.3208 129.4970 129.7008 129.8770 130.1462 130.4254 130.4611 130.6915 130.9248 131.0471 131.1352 131.5777 131.6939 131.7269 131.9336 132.0090 132.3556 132.6022 132.7261 133.0134 133.2212 133.7790 133.9503 134.0958 134.4737 134.8728 135.0837 135.1914 135.6576 136.1767 136.4600 136.7961 137.1551 137.4759 137.6798 137.9225 138.0783 138.2495 138.4970 138.6093 139.1209 139.3280 139.4789 140.0788 140.3375 140.4476 140.9505 141.0961 141.3618 141.7207 142.6190 142.8451 142.9432 143.6952 143.7521 143.9519 144.0204 144.1076 144.1596 144.2732 144.8647 145.0005 145.1399 145.3863 145.6930 145.9856 146.0355 146.6249 146.6644 147.1694 147.3110 147.4875 147.6576 147.8748 148.1058 148.4198 148.5951 148.6911 149.2317 149.3699 149.9336 149.9649 150.2450 150.5623 150.8564 151.1960 151.6942 151.9438 152.0487 152.3023 152.6788 153.2329 153.5196 154.2281 154.5534 155.0098 155.5389 155.8918 156.0758 156.2504 156.6821 156.8849 157.2954 157.3466 157.9224 158.4062 158.8285 159.0790 159.2555 159.5050 160.1508 160.7063 160.8585 161.6546 161.9910 162.4804 162.6619 163.2348 163.5628 164.2966 165.6389 167.1143 167.8377 168.8768 169.5633 172.3046 172.3770 172.8704 173.0179 174.5165 175.8096 177.3682 178.6246 178.9962 181.2608 182.3406 185.3076 186.3939 186.6427 187.3022 189.1266 189.7120 191.9105 192.3513 193.4392 195.4695 196.5823 198.9269 202.0012 205.0175 206.4441 206.6898 221.3000 221.6518 222.3642 222.9042 222.9124 223.4957 225.7591 225.9608 227.9083 229.3322 294.4663 294.7431 295.6917 297.1290 308.5598 313.3350 608.9362 618.4981 620.8288 625.3639 628.8806 630.7118 631.8943 632.2805 634.0470 634.3614 635.1881 635.2063 636.5749 636.9250 637.3857 639.2583 642.0739 643.7690 647.0494 650.1417 657.2352 658.1267 702.2373 708.1392 876.8424 1200.3563 1212.9021 1215.1488 -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 -0.038702 -0.044188 -0.269271 -0.367066 -0.295882 -0.003388 0.066404 0.040398 -0.082141 -0.243747 -0.246977 -0.202822 0.334692 0.052207 0.334434 0.025631 -0.260690 -0.214336 -0.143516 0.239840 -0.083646 -0.210235 0.252268 -0.180536 -0.208065 -0.101890 -0.094805 -0.141149 0.086566 0.082944 0.088657 0.090441 0.101941 0.100112 0.094198 0.074193 0.097342 0.121403 0.132253 0.111041 0.128085 0.129404 0.137016 0.125379 0.132255 0.126527 0.127419 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 17.0387 17.0442 8.2693 8.3671 8.2959 7.0034 5.9336 5.9596 6.0821 6.2437 6.2470 6.2028 5.6653 5.9478 5.6656 5.9744 6.2607 6.2143 6.1435 5.7602 6.0836 6.2102 5.7477 6.1805 6.2081 6.1019 6.0948 6.1411 0.9134 0.9171 0.9113 0.9096 0.8981 0.8999 0.9058 0.9258 0.9027 0.8786 0.8677 0.8890 0.8719 0.8706 0.8630 0.8746 0.8677 0.8735 0.8726 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 -0.0387 -0.0442 -0.2693 -0.3671 -0.2959 -0.0034 0.0664 0.0404 -0.0821 -0.2437 -0.2470 -0.2028 0.3347 0.0522 0.3344 0.0256 -0.2607 -0.2143 -0.1435 0.2398 -0.0836 -0.2102 0.2523 -0.1805 -0.2081 -0.1019 -0.0948 -0.1411 0.0866 0.0829 0.0887 0.0904 0.1019 0.1001 0.0942 0.0742 0.0973 0.1214 0.1323 0.1110 0.1281 0.1294 0.1370 0.1254 0.1323 0.1265 0.1274 1.2888 1.2610 2.1301 2.1396 2.1201 3.1191 3.7656 3.8349 3.8529 3.9136 3.9092 3.9256 4.2619 4.2528 3.8330 3.6602 4.0261 3.9507 4.0141 3.8422 3.9532 4.0359 3.7853 3.9700 4.0469 3.9434 3.9307 3.9607 1.0512 1.0346 1.0024 1.0014 1.0206 1.0021 1.0046 1.0100 1.0311 1.0187 1.0215 1.0163 0.9995 1.0119 1.0027 1.0132 0.9990 0.9990 1.0002 1.2888 1.2610 2.1301 2.1396 2.1201 3.1191 3.7656 3.8349 3.8529 3.9136 3.9092 3.9256 4.2619 4.2528 3.8330 3.6602 4.0261 3.9507 4.0141 3.8422 3.9532 4.0359 3.7853 3.9700 4.0469 3.9434 3.9307 3.9607 1.0512 1.0346 1.0024 1.0014 1.0206 1.0021 1.0046 1.0100 1.0311 1.0187 1.0215 1.0163 0.9995 1.0119 1.0027 1.0132 0.9990 0.9990 1.0002 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1971 1.1549 1.1353 0.8672 1.9569 1.0232 0.9246 3.0573 0.9119 0.8578 0.9668 0.9536 0.9150 1.0265 0.9871 1.0441 1.0110 0.9899 0.9888 0.9822 0.9942 0.9882 0.9873 1.8727 0.9518 0.8948 0.9328 1.0022 1.3495 1.4008 1.3856 0.9514 1.4398 0.9603 1.3963 1.4650 0.9753 0.9702 1.3665 1.4263 1.4404 0.9677 1.4353 0.9713 1.4281 0.9699 1.4302 0.9742 0.9760 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 -0.023658014 -2050.685078660841 3.31755 -3.82633 -0.50878 -33.58017 33.23892 -0.34125 17.44547 -16.24677 1.19870 1.34617 3.42170