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:1.6392,-5.8567,.4537;3.9048,-5.5335,-1.3019;-.9047,-.1095,-1.3965;-1.5548,-1.7737,-.0503;-1.1827,3.8402,1.9204;-2.447,1.9294,-3.5003;1.4766,-1.483,.8108;1.2444,-2.7634,.0586;.7712,-1.4568,-.5319;.6984,-1.2583,2.0844;2.8596,-.8778,.8488;2.3435,-3.483,-.5999;-.6771,-1.1782,-.6092;2.5879,-4.7831,-.4915;-2.238,.3789,-1.4075;-2.5585,1.1459,-.1463;-2.3347,1.2455,-2.5845;-1.6964,2.1555,.2668;-3.6875,.8323,.5904;-1.9851,2.8645,1.4237;-3.9638,1.5475,1.7474;-3.1226,2.561,2.1658;-.3489,4.545,1.0954;.9747,4.6797,1.4848;-.8139,5.1596,-.0603;1.8388,5.4418,.7125;.063,5.9078,-.8293;1.3898,6.0528,-.4482;.4556,-3.3869,.4638;1.3523,-1.0414,-1.3482;-.2608,-1.7696,2.0949;.5128,-.1941,2.2423;1.2774,-1.6238,2.9338;2.8,.1841,1.0916;3.393,-.9639,-.097;3.4665,-1.3626,1.6151;3.02,-2.9194,-1.2306;-2.952,-.4418,-1.5324;-.8103,2.3852,-.3126;-4.3413,.0304,.2738;-4.8424,1.3093,2.3315;-3.3328,3.1211,3.0673;1.3162,4.1998,2.3926;-1.8497,5.0581,-.3586;2.8703,5.5523,1.0203;-.298,6.3842,-1.7311;2.0673,6.6423,-1.0506; 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 2743.6175251104 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 7.011e-06 Time for diagonalization 0.284 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.277 sec Total time needed 0.568 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:1.6392,-5.8567,.4537;3.9048,-5.5335,-1.3019;-.9047,-.1095,-1.3965;-1.5548,-1.7737,-.0503;-1.1827,3.8402,1.9204;-2.447,1.9294,-3.5003;1.4766,-1.483,.8108;1.2444,-2.7634,.0586;.7712,-1.4568,-.5319;.6984,-1.2583,2.0844;2.8596,-.8778,.8488;2.3435,-3.483,-.5999;-.6771,-1.1782,-.6092;2.5879,-4.7831,-.4915;-2.238,.3789,-1.4075;-2.5585,1.1459,-.1463;-2.3347,1.2455,-2.5845;-1.6964,2.1555,.2668;-3.6875,.8323,.5904;-1.9851,2.8645,1.4237;-3.9638,1.5475,1.7474;-3.1226,2.561,2.1658;-.3489,4.545,1.0954;.9747,4.6797,1.4848;-.8139,5.1596,-.0603;1.8388,5.4418,.7125;.063,5.9078,-.8293;1.3898,6.0528,-.4482;.4556,-3.3869,.4638;1.3523,-1.0414,-1.3482;-.2608,-1.7696,2.0949;.5128,-.1941,2.2423;1.2774,-1.6238,2.9338;2.8,.1841,1.0916;3.393,-.9639,-.097;3.4665,-1.3626,1.6151;3.02,-2.9194,-1.2306;-2.952,-.4418,-1.5324;-.8103,2.3852,-.3126;-4.3413,.0304,.2738;-4.8424,1.3093,2.3315;-3.3328,3.1211,3.0673;1.3162,4.1998,2.3926;-1.8497,5.0581,-.3586;2.8703,5.5523,1.0203;-.298,6.3842,-1.7311;2.0673,6.6423,-1.0506; 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:1.6392,-5.8567,.4537;3.9048,-5.5335,-1.3019;-.9047,-.1095,-1.3965;-1.5548,-1.7737,-.0503;-1.1827,3.8402,1.9204;-2.447,1.9294,-3.5003;1.4766,-1.483,.8108;1.2444,-2.7634,.0586;.7712,-1.4568,-.5319;.6984,-1.2583,2.0844;2.8596,-.8778,.8488;2.3435,-3.483,-.5999;-.6771,-1.1782,-.6092;2.5879,-4.7831,-.4915;-2.238,.3789,-1.4075;-2.5585,1.1459,-.1463;-2.3347,1.2455,-2.5845;-1.6964,2.1555,.2668;-3.6875,.8323,.5904;-1.9851,2.8645,1.4237;-3.9638,1.5475,1.7474;-3.1226,2.561,2.1658;-.3489,4.545,1.0954;.9747,4.6797,1.4848;-.8139,5.1596,-.0603;1.8388,5.4418,.7125;.063,5.9078,-.8293;1.3898,6.0528,-.4482;.4556,-3.3869,.4638;1.3523,-1.0414,-1.3482;-.2608,-1.7696,2.0949;.5128,-.1941,2.2423;1.2774,-1.6238,2.9338;2.8,.1841,1.0916;3.393,-.9639,-.097;3.4665,-1.3626,1.6151;3.02,-2.9194,-1.2306;-2.952,-.4418,-1.5324;-.8103,2.3852,-.3126;-4.3413,.0304,.2738;-4.8424,1.3093,2.3315;-3.3328,3.1211,3.0673;1.3162,4.1998,2.3926;-1.8497,5.0581,-.3586;2.8703,5.5523,1.0203;-.298,6.3842,-1.7311;2.0673,6.6423,-1.0506; -2050.66130818 2743.61752511 -4794.27883329 -8262.43062020 3468.15178691 -4095.19797816 2044.53666998 2.00299561 108.000266963145 108.000266963145 216.000533926290 -151.871439884030 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 -2765.7178 -2765.6653 -525.3560 -524.8115 -523.4778 -392.7761 -283.7846 -283.0424 -282.9714 -281.9626 -281.7158 -280.9951 -280.9853 -280.7356 -280.6751 -280.6507 -280.5984 -280.2619 -280.2293 -280.1440 -280.1225 -280.0909 -280.0766 -280.0203 -280.0015 -279.9155 -279.8845 -279.6567 -260.9866 -260.9335 -199.8296 -199.7786 -199.5818 -199.5738 -199.5259 -199.5214 -34.3007 -33.2277 -31.7023 -28.5779 -28.2781 -27.9670 -27.3996 -26.8955 -26.0828 -25.5712 -24.3978 -24.3484 -23.9683 -23.8918 -23.4990 -23.1702 -22.4175 -21.4760 -20.8949 -20.2786 -19.9412 -19.3997 -19.3065 -18.7270 -18.4596 -18.3495 -17.7380 -17.2275 -17.1350 -16.5972 -16.4821 -16.3375 -16.3244 -16.1054 -15.9724 -15.6573 -15.2521 -15.1076 -15.0566 -15.0086 -14.6175 -14.5497 -14.2909 -14.1882 -14.1217 -14.0674 -13.8883 -13.5722 -13.4647 -13.2241 -13.1588 -13.1223 -13.0194 -12.8450 -12.7194 -12.4925 -12.4148 -12.2481 -12.1806 -12.0311 -11.9506 -11.7779 -11.6452 -11.5283 -11.2620 -10.9088 -10.6211 -9.8799 -9.6527 -9.5739 -9.0862 -8.6983 0.7574 1.2346 1.3121 1.4825 1.7855 1.9391 2.4433 2.5595 2.6426 2.9274 3.0349 3.3934 3.5246 3.7460 3.8072 3.9078 4.0864 4.2644 4.3484 4.5565 4.5850 4.7643 4.8752 4.8938 4.9245 5.0857 5.2261 5.4342 5.4802 5.6245 5.7304 5.7462 5.9390 6.0700 6.2185 6.3162 6.4167 6.4322 6.7656 6.8360 7.0969 7.1391 7.2151 7.3665 7.4345 7.5116 7.6247 7.7493 7.8024 7.8531 7.8795 7.9918 8.1877 8.2138 8.3050 8.4084 8.5426 8.5915 8.7280 8.7812 8.8518 9.1529 9.1869 9.3061 9.3840 9.4581 9.5234 9.5916 9.8191 9.8529 9.8977 10.0314 10.2230 10.3509 10.4315 10.5102 10.6376 10.7526 10.8257 10.8783 11.0299 11.0469 11.2197 11.2329 11.3333 11.4008 11.4642 11.6445 11.6755 11.8192 11.8352 11.9554 11.9821 12.1233 12.1384 12.2602 12.3901 12.5006 12.5730 12.6392 12.6918 12.8099 12.8346 12.9097 12.9719 13.1425 13.3587 13.3662 13.4217 13.5065 13.5155 13.6648 13.7798 13.8768 13.9267 14.0732 14.1334 14.2592 14.3363 14.3674 14.5012 14.5608 14.6715 14.7476 14.9023 15.0036 15.0321 15.0747 15.1654 15.2357 15.3243 15.4500 15.5427 15.6632 15.7185 15.7719 15.9586 16.0215 16.1419 16.2547 16.2738 16.3434 16.3581 16.5997 16.6988 16.7172 16.8375 17.0241 17.1284 17.3258 17.3906 17.4613 17.6686 17.7412 17.8890 18.2428 18.3791 18.5301 18.6049 18.7260 18.8328 19.1315 19.2515 19.4864 19.6032 19.6400 19.9146 19.9952 20.0867 20.2304 20.3206 20.4522 20.4580 20.5429 20.6392 20.7083 20.8683 21.0216 21.1679 21.2262 21.3664 21.4339 21.4665 21.6840 21.7520 21.8635 21.9998 22.2719 22.4532 22.6269 22.7377 22.9306 23.0132 23.0810 23.1412 23.3031 23.4111 23.5592 23.5928 23.7289 24.0138 24.1248 24.2062 24.5904 24.6637 24.7561 24.7917 25.0188 25.1891 25.3672 25.4449 25.8202 25.9590 26.2379 26.2739 26.3447 26.5150 26.6418 26.7987 26.9088 27.0289 27.1983 27.3684 27.6177 27.7446 27.8669 27.9939 28.1216 28.2540 28.3007 28.4758 28.5601 28.6788 28.9766 29.0095 29.1106 29.2182 29.4487 29.5207 29.7804 29.7957 29.9026 30.0081 30.1452 30.2105 30.2413 30.4254 30.7173 30.8694 31.0055 31.1527 31.3549 31.6162 31.7249 31.7753 31.9350 32.1978 32.2883 32.3839 32.4069 32.4651 32.6666 32.7023 32.9404 33.1130 33.2869 33.4298 33.5591 33.7049 33.8422 33.9351 34.1149 34.1470 34.2318 34.4002 34.5583 34.7974 34.9538 35.1376 35.2983 35.3610 35.4613 35.5607 35.7655 35.8351 35.9264 36.1534 36.2257 36.3515 36.4554 36.5675 36.9337 36.9575 37.0298 37.3172 37.3953 37.5769 37.6665 37.7178 37.7566 37.8286 38.0250 38.1864 38.4260 38.4708 38.5635 38.5946 38.7411 38.9773 39.0897 39.1604 39.2465 39.4694 39.5582 39.8231 39.9064 40.1292 40.1582 40.4023 40.5186 40.6194 40.7409 40.9027 40.9933 41.1858 41.2199 41.4611 41.7357 41.8283 41.9604 42.1205 42.2911 42.4557 42.6004 42.7034 42.8611 42.9170 43.0224 43.1318 43.3427 43.5777 43.6474 43.7276 43.8972 44.0853 44.2131 44.3904 44.4487 44.5543 44.5789 44.8298 44.9852 45.2417 45.3686 45.3746 45.5234 45.6829 45.7997 45.8677 45.9989 46.2241 46.5069 46.6225 46.7679 46.8858 47.0453 47.2463 47.3299 47.4318 47.8302 48.0052 48.1182 48.2830 48.4357 48.5709 48.6707 48.7505 49.2850 49.3338 49.4875 49.7454 49.9049 50.0093 50.0351 50.2710 50.6185 50.6775 50.7870 50.8456 51.1364 51.2958 51.4068 51.5626 51.6181 51.8068 51.9607 52.2614 52.2966 52.3803 52.5001 52.7079 52.7671 52.8246 53.1179 53.3775 53.5297 53.6758 53.9209 54.3008 54.6663 54.8875 55.1305 55.2030 55.5601 55.7736 56.0042 56.0474 56.1822 56.5077 56.6437 56.7570 56.8473 57.0383 57.0906 57.2349 57.5263 57.6998 57.9210 58.0818 58.1581 58.2386 58.4409 58.7948 58.9595 59.1106 59.2811 59.4914 59.6089 59.7520 59.9161 60.0114 60.2091 60.2371 60.8004 60.9477 61.1658 61.3302 61.6878 61.9660 62.1800 62.3337 62.6280 63.0184 63.0779 63.1365 63.2953 63.3822 63.6350 63.7132 63.8815 64.2160 64.2498 64.4583 64.7194 65.0610 65.1095 65.2268 65.3211 65.4667 65.5388 65.8199 66.1391 66.2684 66.4008 66.6472 67.0541 67.1446 67.4602 67.5230 67.6406 67.7227 68.0630 68.2083 68.4312 68.7261 68.9127 69.1520 69.2186 69.5009 69.9158 69.9884 70.1443 70.4558 71.1362 71.4088 71.5598 71.9440 72.1969 72.4766 72.7779 72.7923 72.9177 73.2990 73.5403 73.8434 73.9704 74.0850 74.1087 74.4437 74.5998 74.8729 75.0056 75.3457 75.5077 75.6877 75.8090 75.9882 76.2648 76.3825 76.5052 76.6667 76.8208 77.0484 77.3046 77.4372 77.5634 77.6794 77.8325 78.0149 78.2054 78.3012 78.5146 78.6199 78.6865 78.8672 78.9435 78.9899 79.1285 79.2539 79.3647 79.5307 79.6291 79.7062 79.8443 79.9927 80.0595 80.3075 80.4829 80.5690 80.8605 80.9515 81.1034 81.3588 81.4409 81.6836 81.8328 81.8575 82.0798 82.1836 82.3627 82.4681 82.5032 82.7865 82.9453 83.0338 83.1521 83.2159 83.4778 83.6125 83.8391 84.0436 84.2204 84.3440 84.4591 84.5374 84.5946 84.7485 84.9447 84.9821 85.0877 85.1849 85.2840 85.3753 85.4089 85.6496 85.7691 85.8832 85.9314 86.1998 86.2320 86.4095 86.4712 86.7589 86.8815 86.9770 87.1269 87.2378 87.6180 87.6606 87.7927 87.9233 88.0618 88.2771 88.3354 88.4180 88.5148 88.5596 88.8526 88.8766 88.9701 89.1552 89.2626 89.2891 89.4249 89.4973 89.5943 89.7545 89.8481 90.0208 90.3358 90.4527 90.4740 90.6013 90.6987 91.0068 91.0804 91.1994 91.2680 91.4602 91.5743 91.7025 92.0856 92.2233 92.2598 92.3667 92.5184 92.5893 92.6293 92.7754 92.9304 93.0175 93.1652 93.2132 93.3934 93.4686 93.6079 93.7236 93.8586 93.9482 94.0232 94.4538 94.5466 94.6922 94.7183 94.8443 94.9579 95.1233 95.2224 95.2466 95.3320 95.4233 95.5267 95.9029 96.0755 96.1241 96.2553 96.4777 96.5786 96.8931 96.9141 96.9604 97.2327 97.3049 97.3538 97.4542 97.5883 97.7697 98.1048 98.1728 98.2341 98.3641 98.5227 98.6509 98.9157 99.0295 99.1030 99.1834 99.3468 99.7217 99.8006 99.9238 100.2426 100.5330 100.6309 100.8992 101.0597 101.2124 101.3319 101.7928 101.9271 102.1363 102.1796 102.3923 102.4637 102.6726 102.7657 103.3305 103.5731 103.7668 103.9942 104.1593 104.2340 104.4303 104.5292 104.7837 104.9645 105.0315 105.1555 105.2238 105.3177 105.3912 105.4542 105.6776 105.6952 106.0324 106.1264 106.2186 106.3272 106.5814 106.6382 106.8314 106.9927 107.0743 107.2929 107.3380 107.4431 107.5275 108.0491 108.1008 108.3773 108.8255 108.9072 108.9923 109.1930 109.3627 109.4642 109.7728 109.8404 109.9517 110.1266 110.2801 110.3591 110.5820 110.6507 110.8816 110.9859 111.0820 111.2337 111.3274 111.4675 111.7875 111.9543 112.1934 112.4153 112.7805 112.8986 113.0884 113.2295 113.4826 113.6138 113.6797 113.9484 114.1483 114.2736 114.5535 114.5929 114.8078 114.8935 115.0151 115.2596 115.4027 115.7207 115.7404 115.8508 116.0452 116.2746 116.2793 116.4206 116.6563 116.8276 116.8963 117.0108 117.0510 117.2050 117.2548 117.3988 117.7014 117.9016 118.0024 118.0920 118.2548 118.3172 118.3728 118.5520 118.7771 118.9155 118.9889 119.3391 119.4709 119.8375 119.9010 120.0713 120.1777 120.4384 120.6378 120.7170 120.9220 121.0288 121.1140 121.4106 121.7476 121.9099 122.0506 122.4530 122.5520 122.6407 123.2548 123.4859 123.5148 123.9579 124.1595 124.3087 124.8873 125.1337 125.3756 125.7107 125.9509 126.0501 126.3748 126.4278 126.7697 126.8701 127.2522 127.7806 127.8459 128.0099 128.5560 128.6148 128.7839 128.9851 129.0772 129.1971 129.3347 129.3857 129.6851 129.8300 130.1993 130.3118 130.4033 130.6714 130.9527 131.0575 131.1519 131.5188 131.6166 131.7754 131.9271 132.1687 132.2706 132.6039 132.6859 133.0551 133.2200 133.7893 133.9500 134.2031 134.4479 134.9446 135.0347 135.2154 135.6046 136.2382 136.3973 136.8083 137.0454 137.4671 137.6763 137.9162 138.1125 138.2761 138.4816 138.5755 139.2299 139.3809 139.5449 139.9992 140.2652 140.5061 141.0583 141.1340 141.3356 141.6663 142.5792 142.8333 142.9644 143.5299 143.8053 143.8372 144.0086 144.0660 144.1500 144.2768 144.8240 145.0235 145.1158 145.4759 145.5897 145.9926 146.0376 146.5929 146.7039 147.1172 147.4368 147.5452 147.6595 147.8374 148.0674 148.4159 148.6344 148.6881 149.3048 149.4280 149.8907 149.9542 150.1289 150.5733 150.7693 151.1339 151.5309 151.9729 152.1312 152.2768 152.7107 153.1927 153.4978 154.2197 154.5346 154.9608 155.4879 155.8828 156.0261 156.1433 156.6542 156.8451 157.2670 157.3695 157.8962 158.4744 158.9374 159.0819 159.3663 159.4288 160.1230 160.7627 160.8788 161.4879 161.9274 162.4359 162.5261 163.2126 163.2735 164.2540 165.6424 167.0536 167.8732 168.8770 169.4697 172.2101 172.3606 172.7811 173.1351 174.5540 175.6246 177.4018 178.4561 179.0671 181.1608 182.2257 185.2322 186.4278 186.7136 187.2868 189.2494 189.7300 191.9442 192.2748 193.3505 195.4272 196.4763 198.9948 202.0385 205.0023 206.4756 206.7478 221.3244 221.6913 222.3908 222.8854 222.9377 223.5048 225.7533 225.9494 227.8740 229.3530 294.4762 294.7307 295.6680 297.0759 308.5481 313.3617 608.7312 618.4261 620.8568 625.8978 628.8519 630.7383 631.8751 632.2413 633.9929 634.3466 635.1261 635.1439 636.5332 636.8748 637.3382 638.8348 642.0781 643.6255 647.2568 650.3041 657.2211 658.0617 702.2614 708.1037 876.6378 1200.1847 1212.7250 1215.1312 -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 -0.038615 -0.044012 -0.268265 -0.357980 -0.296092 -0.001846 0.067828 0.045148 -0.079812 -0.243524 -0.239687 -0.205485 0.310930 0.048194 0.329337 0.047645 -0.260176 -0.232916 -0.145698 0.245752 -0.081195 -0.211274 0.257131 -0.216130 -0.180573 -0.091237 -0.102302 -0.142226 0.088638 0.082424 0.101775 0.086910 0.091993 0.094362 0.072422 0.100044 0.098409 0.123303 0.132361 0.108556 0.127819 0.129097 0.125341 0.137278 0.127014 0.132194 0.127141 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 17.0386 17.0440 8.2683 8.3580 8.2961 7.0018 5.9322 5.9549 6.0798 6.2435 6.2397 6.2055 5.6891 5.9518 5.6707 5.9524 6.2602 6.2329 6.1457 5.7542 6.0812 6.2113 5.7429 6.2161 6.1806 6.0912 6.1023 6.1422 0.9114 0.9176 0.8982 0.9131 0.9080 0.9056 0.9276 0.9000 0.9016 0.8767 0.8676 0.8914 0.8722 0.8709 0.8747 0.8627 0.8730 0.8678 0.8729 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 -0.0386 -0.0440 -0.2683 -0.3580 -0.2961 -0.0018 0.0678 0.0451 -0.0798 -0.2435 -0.2397 -0.2055 0.3109 0.0482 0.3293 0.0476 -0.2602 -0.2329 -0.1457 0.2458 -0.0812 -0.2113 0.2571 -0.2161 -0.1806 -0.0912 -0.1023 -0.1422 0.0886 0.0824 0.1018 0.0869 0.0920 0.0944 0.0724 0.1000 0.0984 0.1233 0.1324 0.1086 0.1278 0.1291 0.1253 0.1373 0.1270 0.1322 0.1271 1.2890 1.2614 2.1227 2.1465 2.1151 3.1209 3.7751 3.8319 3.8501 3.9127 3.9048 3.9119 4.2955 4.2478 3.8306 3.6516 4.0280 3.9433 4.0209 3.8213 3.9512 4.0379 3.7794 4.0445 3.9690 3.9289 3.9421 3.9635 1.0486 1.0353 1.0194 1.0023 1.0025 1.0049 1.0101 1.0029 1.0287 1.0192 1.0228 1.0148 0.9995 1.0119 1.0138 1.0029 0.9986 0.9989 1.0003 1.2890 1.2614 2.1227 2.1465 2.1151 3.1209 3.7751 3.8319 3.8501 3.9127 3.9048 3.9119 4.2955 4.2478 3.8306 3.6516 4.0280 3.9433 4.0209 3.8213 3.9512 4.0379 3.7794 4.0445 3.9690 3.9289 3.9421 3.9635 1.0486 1.0353 1.0194 1.0023 1.0025 1.0049 1.0101 1.0029 1.0287 1.0192 1.0228 1.0148 0.9995 1.0119 1.0138 1.0029 0.9986 0.9989 1.0003 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.2013 1.1562 1.1397 0.8616 1.9750 1.0142 0.9297 3.0583 0.9039 0.8564 0.9642 0.9587 0.9386 1.0145 0.9828 1.0396 1.0086 0.9815 0.9915 0.9894 0.9878 0.9846 0.9944 1.8670 0.9566 0.8924 0.9353 1.0020 1.3391 1.4061 1.3797 0.9591 1.4378 0.9612 1.3983 1.4639 0.9750 0.9706 1.4207 1.3668 1.4365 0.9725 1.4400 0.9664 1.4299 0.9739 1.4286 0.9700 0.9765 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 -0.024303669 -2050.685611851668 -4.69232 5.23938 0.54706 35.07430 -34.58131 0.49299 11.98609 -10.94145 1.04464 1.27812 3.24872