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:1.9215,-5.2126,.8883;4.0413,-5.0258,-1.0593;-1.3262,-.2967,-1.4389;-1.4937,-1.5786,.3892;-1.6159,3.9017,1.432;-3.4243,.8554,-3.7218;1.5619,-.7357,.5571;1.4106,-2.1863,.2024;.6526,-1.1428,-.5873;.9786,-.2708,1.8691;2.8133,.0168,.1705;2.4772,-2.9472,-.458;-.8161,-1.0679,-.4564;2.7672,-4.2225,-.231;-2.7112,-.0199,-1.3646;-3.0538,1.0172,-.3152;-3.0905,.469,-2.6932;-2.1171,1.9748,.052;-4.3244,1.0212,.2337;-2.4664,2.9417,.9855;-4.664,2.0017,1.1548;-3.745,2.961,1.5338;-.3556,4.0009,.908;-.1575,4.4912,-.3754;.7203,3.6452,1.7057;1.1346,4.6139,-.862;2.0099,3.7819,1.2117;2.2205,4.2585,-.0735;.793,-2.7542,.8886;1.0258,-.9013,-1.5763;.6803,.7772,1.8069;1.734,-.355,2.6522;.1128,-.8494,2.1819;3.6092,-.1662,.8944;2.6135,1.0893,.1543;3.1927,-.2551,-.8138;3.0853,-2.4411,-1.1975;-3.2798,-.9353,-1.1663;-1.1276,1.9638,-.3852;-5.0472,.2671,-.0504;-5.6546,2.0128,1.5889;-4.002,3.7227,2.2579;-1.0059,4.7758,-.9846;.5445,3.2779,2.7086;1.2922,4.9954,-1.8619;2.8514,3.5118,1.8362;3.2268,4.3627,-.4563; 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 2809.4608867912 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 6.531e-06 Time for diagonalization 0.307 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.296 sec Total time needed 0.611 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:1.9215,-5.2126,.8883;4.0413,-5.0258,-1.0593;-1.3262,-.2967,-1.4389;-1.4937,-1.5786,.3892;-1.6159,3.9017,1.432;-3.4243,.8554,-3.7218;1.5619,-.7357,.5571;1.4106,-2.1863,.2024;.6526,-1.1428,-.5873;.9786,-.2708,1.8691;2.8133,.0168,.1705;2.4772,-2.9472,-.458;-.8161,-1.0679,-.4564;2.7672,-4.2224,-.231;-2.7112,-.0199,-1.3646;-3.0538,1.0172,-.3152;-3.0905,.469,-2.6932;-2.1171,1.9748,.052;-4.3244,1.0212,.2337;-2.4664,2.9417,.9855;-4.664,2.0017,1.1548;-3.745,2.961,1.5338;-.3556,4.0009,.908;-.1575,4.4912,-.3754;.7203,3.6452,1.7057;1.1346,4.6139,-.862;2.0099,3.7819,1.2117;2.2205,4.2585,-.0735;.793,-2.7542,.8886;1.0258,-.9013,-1.5763;.6803,.7772,1.8069;1.734,-.355,2.6522;.1128,-.8494,2.1819;3.6092,-.1662,.8944;2.6135,1.0893,.1543;3.1927,-.2551,-.8138;3.0853,-2.4411,-1.1975;-3.2798,-.9353,-1.1663;-1.1276,1.9638,-.3852;-5.0472,.2671,-.0504;-5.6546,2.0128,1.5889;-4.002,3.7227,2.2579;-1.0059,4.7758,-.9846;.5445,3.2779,2.7086;1.2922,4.9954,-1.862;2.8514,3.5118,1.8362;3.2268,4.3627,-.4563; 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:1.9215,-5.2126,.8883;4.0413,-5.0258,-1.0593;-1.3262,-.2967,-1.4389;-1.4937,-1.5786,.3892;-1.6159,3.9017,1.432;-3.4243,.8554,-3.7218;1.5619,-.7357,.5571;1.4106,-2.1863,.2024;.6526,-1.1428,-.5873;.9786,-.2708,1.8691;2.8133,.0168,.1705;2.4772,-2.9472,-.458;-.8161,-1.0679,-.4564;2.7672,-4.2225,-.231;-2.7112,-.0199,-1.3646;-3.0538,1.0172,-.3152;-3.0905,.469,-2.6932;-2.1171,1.9748,.052;-4.3244,1.0212,.2337;-2.4664,2.9417,.9855;-4.664,2.0017,1.1548;-3.745,2.961,1.5338;-.3556,4.0009,.908;-.1575,4.4912,-.3754;.7203,3.6452,1.7057;1.1346,4.6139,-.862;2.0099,3.7819,1.2117;2.2205,4.2585,-.0735;.793,-2.7542,.8886;1.0258,-.9013,-1.5763;.6803,.7772,1.8069;1.734,-.355,2.6522;.1128,-.8494,2.1819;3.6092,-.1662,.8944;2.6135,1.0893,.1543;3.1927,-.2551,-.8138;3.0853,-2.4411,-1.1975;-3.2798,-.9353,-1.1663;-1.1276,1.9638,-.3852;-5.0472,.2671,-.0504;-5.6546,2.0128,1.5889;-4.002,3.7227,2.2579;-1.0059,4.7758,-.9846;.5445,3.2779,2.7086;1.2922,4.9954,-1.8619;2.8514,3.5118,1.8362;3.2268,4.3627,-.4563; -2050.66022393 2809.46088679 -4860.12111072 -8393.85507003 3533.73395930 -4095.19652823 2044.53630429 2.00299526 108.000030938809 108.000030938809 216.000061877618 -151.874107332002 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 -2765.7089 -2765.6601 -525.3692 -524.8517 -523.4901 -392.7314 -283.7941 -283.0470 -282.9689 -281.9915 -281.8287 -280.9983 -280.9562 -280.7539 -280.6846 -280.6521 -280.5960 -280.3016 -280.2854 -280.2407 -280.2144 -280.2131 -280.1737 -280.1629 -280.0748 -280.0474 -279.8843 -279.6676 -260.9774 -260.9282 -199.8207 -199.7733 -199.5723 -199.5649 -199.5207 -199.5163 -34.3135 -33.2783 -31.7294 -28.5713 -28.2386 -27.9697 -27.4095 -27.0468 -26.0752 -25.5615 -24.4390 -24.3618 -24.1459 -23.9301 -23.5713 -23.1910 -22.4303 -21.5240 -20.8878 -20.3105 -20.0790 -19.4740 -19.3051 -18.7367 -18.4782 -18.4372 -17.7183 -17.2762 -17.1833 -16.6429 -16.4687 -16.3669 -16.3559 -16.2296 -16.0343 -15.6918 -15.3791 -15.2505 -15.0615 -14.9688 -14.7561 -14.5405 -14.3317 -14.3145 -14.1544 -14.0569 -13.8898 -13.5896 -13.4723 -13.2729 -13.1770 -13.1078 -13.0153 -12.9116 -12.7882 -12.5238 -12.4419 -12.3010 -12.1960 -12.0159 -11.9309 -11.7916 -11.6946 -11.5286 -11.2628 -10.9074 -10.6100 -9.9202 -9.7325 -9.5997 -9.0693 -8.8654 0.8182 1.2110 1.2180 1.3422 1.5917 2.0303 2.4477 2.5370 2.6672 3.0005 3.0763 3.3839 3.4448 3.6519 3.7429 3.8546 4.0711 4.2103 4.3505 4.4832 4.5955 4.6172 4.8494 4.8696 5.0333 5.0919 5.2985 5.4655 5.5572 5.6932 5.7364 5.8708 6.0254 6.0438 6.2430 6.3714 6.5952 6.6669 6.7729 6.8894 6.9703 7.1272 7.2028 7.2564 7.4224 7.5470 7.6400 7.6961 7.8120 7.8944 7.9737 8.1416 8.1502 8.3146 8.3507 8.4828 8.5488 8.6651 8.8156 8.9520 9.0336 9.1418 9.1959 9.3332 9.4612 9.4747 9.6062 9.7697 9.8984 10.0436 10.1024 10.2094 10.3873 10.4316 10.4976 10.7786 10.8378 10.8612 10.9722 11.0387 11.0792 11.1975 11.2760 11.4097 11.4331 11.5038 11.6160 11.6905 11.7507 11.7930 11.9629 12.0681 12.1192 12.1719 12.3636 12.3819 12.4840 12.5499 12.6682 12.7636 12.8318 12.9545 13.0571 13.0903 13.1936 13.2704 13.3685 13.4316 13.5108 13.7160 13.7984 13.8255 13.9448 14.0658 14.1519 14.1934 14.2501 14.3121 14.3960 14.4440 14.5947 14.8023 14.8757 14.8997 15.0088 15.0837 15.1406 15.1700 15.3055 15.3867 15.5545 15.6871 15.7314 15.8536 15.9479 15.9883 16.0922 16.1867 16.2862 16.3966 16.4479 16.6347 16.7619 17.0127 17.0363 17.1401 17.2102 17.4713 17.5162 17.7016 17.8694 17.9489 18.0929 18.2152 18.2717 18.4704 18.6653 18.8528 18.9163 19.0993 19.1931 19.3633 19.4047 19.6735 19.7737 19.8751 19.9771 20.1063 20.2559 20.4209 20.4484 20.5490 20.6131 20.6300 20.7761 21.0079 21.0677 21.2409 21.3464 21.4029 21.5000 21.5894 21.7127 21.9009 21.9568 22.0193 22.2865 22.3786 22.4871 22.6623 22.9446 23.0969 23.1103 23.3667 23.4789 23.5080 23.7567 23.8508 23.9473 23.9823 24.1724 24.2545 24.4960 24.5827 24.6798 24.9307 25.0312 25.1721 25.3200 25.4168 25.6044 25.7216 25.8972 26.0860 26.3547 26.4332 26.4510 26.7321 26.8387 26.9797 27.3361 27.4437 27.4680 27.7993 27.9007 27.9891 28.0438 28.3851 28.4214 28.5772 28.7224 28.8492 29.0607 29.1381 29.2018 29.4049 29.4513 29.6142 29.8330 29.8781 29.9888 30.2027 30.3386 30.3841 30.5574 30.7950 30.9495 31.0586 31.1445 31.3099 31.3397 31.7027 31.8046 31.9233 32.1106 32.2190 32.3405 32.3946 32.4592 32.4990 32.7000 32.8376 33.0457 33.2500 33.3007 33.3230 33.4656 33.6117 33.7217 33.7750 34.0350 34.1001 34.2688 34.4381 34.6805 34.8914 35.0133 35.0751 35.3687 35.4302 35.6767 35.7235 35.8563 35.9353 36.0995 36.1441 36.3425 36.4646 36.6202 36.7393 36.9599 36.9979 37.1463 37.2019 37.4684 37.6349 37.6597 37.7922 37.9384 38.0561 38.0909 38.1646 38.2501 38.4931 38.5349 38.6813 38.7178 38.8437 38.9695 39.0775 39.1107 39.3235 39.4750 39.7711 39.9343 40.0163 40.2644 40.4826 40.5778 40.6329 40.8364 40.9455 41.1671 41.2688 41.3901 41.5375 41.6246 41.6774 41.9602 42.1006 42.3998 42.4611 42.5391 42.7671 42.8041 42.9391 43.0319 43.3293 43.4446 43.5332 43.9320 43.9705 44.0874 44.2702 44.4388 44.5841 44.7494 44.8473 45.0028 45.0588 45.2634 45.3886 45.5761 45.6805 45.7144 45.9536 46.1527 46.2376 46.4496 46.5621 46.7100 46.8110 47.0794 47.2274 47.4635 47.5915 47.8163 47.9050 47.9760 48.2680 48.5817 48.7349 48.7866 48.8993 49.0316 49.2618 49.4189 49.6360 49.9233 50.0968 50.1990 50.2420 50.3843 50.6379 50.6620 50.7441 50.8679 50.9572 51.0907 51.1830 51.3891 51.5444 51.6482 51.7524 51.9903 52.0679 52.3067 52.3477 52.4604 52.5135 52.6990 52.7756 53.2381 53.2961 53.5264 53.9566 54.0986 54.3407 54.5556 54.9762 55.1254 55.2310 55.3547 55.5529 55.7649 56.0085 56.1839 56.5351 56.6613 56.8100 56.8265 56.9958 57.2540 57.3381 57.5162 57.6869 57.8174 58.0329 58.1850 58.1979 58.3874 58.5958 58.8786 58.8851 59.1869 59.3139 59.3389 59.5928 59.8448 59.9672 60.0683 60.3824 60.5464 60.7684 61.0380 61.4711 61.6221 61.6687 61.9155 62.3913 62.6155 62.8545 62.9619 63.0641 63.1752 63.2970 63.3885 63.5374 63.7689 64.0124 64.2338 64.3687 64.4797 64.7302 64.8212 65.0028 65.2409 65.5376 65.6373 65.8200 66.0405 66.2899 66.3474 66.5789 66.6720 66.9652 67.2614 67.4494 67.6322 67.6687 67.9091 67.9821 68.3414 68.7279 68.8246 69.1241 69.2970 69.3926 69.5010 69.8162 70.1752 70.2637 70.6367 71.0397 71.5185 71.8065 71.8373 72.5676 72.7593 72.8756 72.9975 73.2498 73.4778 73.5816 73.7090 74.1185 74.2493 74.6367 74.9455 75.0409 75.1398 75.1766 75.3550 75.6810 75.8766 76.0924 76.1806 76.2003 76.4016 76.4634 76.7337 76.8339 77.1757 77.3583 77.4000 77.5781 77.7856 78.0232 78.1838 78.3181 78.4627 78.6544 78.7278 78.8084 78.8782 78.9364 79.0375 79.2647 79.3349 79.6519 79.7317 79.7781 79.9623 80.0877 80.1476 80.3023 80.4416 80.5436 80.7554 81.0575 81.1596 81.2728 81.4013 81.4894 81.7652 81.8765 82.0149 82.1634 82.3832 82.4774 82.5302 82.5996 82.6895 83.1071 83.3058 83.3828 83.5459 83.5947 83.7351 83.9429 84.2052 84.2839 84.4270 84.5245 84.6295 84.7147 84.7684 85.0206 85.0571 85.2629 85.3466 85.4236 85.5804 85.6984 85.7777 85.9477 86.1231 86.1923 86.3354 86.4196 86.5547 86.6269 86.7390 86.9267 87.0672 87.0848 87.3173 87.6721 87.7333 87.8906 88.0165 88.1208 88.2796 88.4406 88.4624 88.6666 88.7343 88.9050 89.0430 89.0944 89.2736 89.4262 89.4395 89.6404 89.6461 89.8181 90.0497 90.1003 90.2032 90.3312 90.3738 90.4615 90.7524 90.9932 91.1051 91.2576 91.2923 91.4098 91.6671 91.7992 91.9880 92.0313 92.2507 92.2859 92.3499 92.4257 92.7074 92.7297 92.9303 92.9806 93.0594 93.2780 93.3369 93.4064 93.5417 93.6548 93.7321 93.9151 94.1032 94.3107 94.4066 94.4951 94.5388 94.8568 94.9143 95.0335 95.0963 95.3877 95.3947 95.6552 95.7452 95.8633 95.9890 96.1045 96.2082 96.4032 96.6787 96.7441 96.8507 97.0717 97.1398 97.2053 97.3492 97.5254 97.7629 97.8854 98.1331 98.2504 98.3302 98.4108 98.6575 98.7176 98.8224 99.1067 99.1486 99.2645 99.4868 99.7803 100.1310 100.2242 100.3661 100.5641 100.8480 100.9104 101.1162 101.3813 101.5437 101.6612 101.8068 102.0490 102.1748 102.3631 102.6089 102.7453 102.8502 103.0281 103.3869 103.6715 103.7371 103.8124 104.0903 104.2890 104.4389 104.6559 104.7757 104.9126 105.0468 105.0489 105.1513 105.2721 105.3717 105.4905 105.7702 105.7939 105.8715 106.1635 106.2373 106.5120 106.6601 106.7326 106.9109 107.0581 107.2296 107.5725 107.7609 107.9005 108.0014 108.1849 108.4433 108.6377 108.6823 108.8536 109.0217 109.3080 109.3671 109.5312 109.6693 110.0119 110.1761 110.3966 110.4959 110.6306 110.7323 110.8859 110.9358 111.1776 111.3501 111.3770 111.6481 111.7530 111.9858 112.1475 112.4319 112.5942 112.7282 112.8893 113.0131 113.2536 113.3849 113.7146 113.8349 114.0813 114.2182 114.2281 114.4208 114.5910 114.7311 115.0044 115.0940 115.3768 115.4757 115.7984 115.8939 115.9440 116.2653 116.3633 116.4636 116.6377 116.7871 116.8799 117.0277 117.2197 117.3737 117.5494 117.7176 117.8977 117.9236 118.1123 118.2215 118.3530 118.4522 118.6124 118.6933 118.7926 118.9191 119.0717 119.1866 119.3138 119.5702 119.7061 119.9269 120.1763 120.4388 120.5953 120.8332 120.8639 121.1627 121.3089 121.4891 121.6537 121.7171 122.0643 122.2009 122.3731 122.4540 122.9179 123.5133 123.7733 123.8800 124.0022 124.2744 124.3973 125.1013 125.3037 125.5585 125.7878 125.9826 126.2511 126.4737 126.6483 126.9055 127.0534 127.5191 127.5882 127.8951 128.2435 128.3807 128.6288 128.9151 129.1369 129.3205 129.4550 129.7610 129.8138 129.9982 130.0666 130.3151 130.3640 130.6254 130.8734 130.9844 131.1123 131.1791 131.3731 131.6730 131.8604 132.0925 132.1509 132.3755 132.4530 132.5707 132.8736 133.4733 134.0647 134.1759 134.5688 134.9352 135.0625 135.1185 135.3080 135.6473 136.2109 136.4844 136.9332 137.2315 137.4720 137.7307 138.0097 138.0517 138.2974 138.4488 138.8844 139.1319 139.5466 139.6212 140.0709 140.5803 140.7678 140.9107 141.0898 141.4869 141.7261 142.4115 142.9629 143.0644 143.4511 143.7991 143.8239 143.9974 144.1093 144.5090 144.5251 144.8782 145.1121 145.2942 145.3133 145.8681 145.9438 146.2015 146.4934 147.0731 147.3029 147.4678 147.5301 147.7744 147.9155 148.3264 148.3729 148.6940 149.1452 149.3241 149.4932 149.6711 150.2409 150.3869 150.9135 151.0391 151.3482 151.7893 152.1667 152.4074 152.9184 153.1727 153.4514 154.2091 154.4856 154.7239 155.3405 155.4005 155.8187 156.2810 156.4051 156.5259 156.8787 157.4198 157.9537 158.4776 158.7904 158.9341 159.3455 159.9805 160.2245 160.3360 161.0487 161.2025 161.4081 161.7896 162.1329 162.7152 163.7160 163.8178 164.6129 165.6090 166.0922 167.5759 168.8607 169.4510 171.3955 172.3490 173.2871 174.4794 175.3797 175.9100 176.9281 178.4317 179.2604 182.0481 182.4173 184.7683 186.4178 187.0921 187.8704 189.1889 189.8763 191.0207 192.2339 193.2371 196.1466 196.4807 198.9013 200.9496 205.0082 206.7413 207.2202 221.3088 221.6448 222.3929 222.8928 222.9473 223.5068 225.7894 225.9802 227.9130 229.3480 294.4683 294.7505 295.7012 297.1495 308.5671 313.3628 609.0216 620.3713 621.4559 625.8114 629.1003 630.9162 632.1827 632.6953 634.0488 634.4247 635.2593 635.3887 636.5611 637.1338 637.4473 639.5163 641.9100 642.2009 647.8455 650.8698 657.4549 658.3147 702.3201 708.1498 876.4224 1200.8706 1213.2591 1215.7394 -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 -0.038079 -0.045160 -0.275712 -0.351512 -0.293636 0.000766 0.089264 0.031749 -0.068818 -0.235607 -0.250505 -0.204400 0.303786 0.051073 0.296781 0.064734 -0.255409 -0.227454 -0.194563 0.293346 -0.070865 -0.215759 0.275455 -0.175608 -0.230901 -0.105056 -0.145247 -0.115513 0.085587 0.083285 0.064980 0.094457 0.107988 0.100267 0.084804 0.076992 0.096586 0.130345 0.126104 0.106616 0.127050 0.126788 0.136452 0.141100 0.133844 0.136509 0.133098 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 17.0381 17.0452 8.2757 8.3515 8.2936 6.9992 5.9107 5.9683 6.0688 6.2356 6.2505 6.2044 5.6962 5.9489 5.7032 5.9353 6.2554 6.2275 6.1946 5.7067 6.0709 6.2158 5.7245 6.1756 6.2309 6.1051 6.1452 6.1155 0.9144 0.9167 0.9350 0.9055 0.8920 0.8997 0.9152 0.9230 0.9034 0.8697 0.8739 0.8934 0.8730 0.8732 0.8635 0.8589 0.8662 0.8635 0.8669 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 -0.0381 -0.0452 -0.2757 -0.3515 -0.2936 0.0008 0.0893 0.0317 -0.0688 -0.2356 -0.2505 -0.2044 0.3038 0.0511 0.2968 0.0647 -0.2554 -0.2275 -0.1946 0.2933 -0.0709 -0.2158 0.2755 -0.1756 -0.2309 -0.1051 -0.1452 -0.1155 0.0856 0.0833 0.0650 0.0945 0.1080 0.1003 0.0848 0.0770 0.0966 0.1303 0.1261 0.1066 0.1270 0.1268 0.1365 0.1411 0.1338 0.1365 0.1331 1.2895 1.2598 2.1039 2.1517 2.1286 3.1233 3.7391 3.8658 3.8259 3.8962 3.9088 3.9292 4.2896 4.2531 3.8362 3.7356 4.0085 3.9518 4.0742 3.7931 3.9466 4.0447 3.7451 3.9859 3.9736 3.9325 3.8751 3.8954 1.0524 1.0354 1.0159 1.0027 1.0232 1.0022 1.0152 1.0134 1.0327 1.0178 1.0263 1.0122 0.9990 1.0138 1.0046 1.0045 0.9979 0.9977 0.9979 1.2895 1.2598 2.1039 2.1517 2.1286 3.1233 3.7391 3.8658 3.8259 3.8962 3.9088 3.9292 4.2896 4.2531 3.8362 3.7356 4.0085 3.9518 4.0742 3.7931 3.9466 4.0447 3.7451 3.9859 3.9736 3.9325 3.8751 3.8954 1.0524 1.0354 1.0159 1.0027 1.0232 1.0022 1.0152 1.0134 1.0327 1.0178 1.0263 1.0122 0.9990 1.0138 1.0046 1.0045 0.9979 0.9977 0.9979 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.1981 1.1550 1.1091 0.8721 1.9889 1.0433 0.9043 3.0592 0.9242 0.8447 0.9456 0.9504 0.9275 1.0318 0.9863 1.0393 1.0070 0.9883 0.9908 0.9922 0.9965 0.9840 0.9905 1.8727 0.9514 0.8907 0.9259 1.0074 1.3631 1.4352 1.3364 0.9420 1.4391 0.9667 1.3894 1.4686 0.9752 0.9718 1.3741 1.3968 1.4334 0.9778 1.3854 0.9863 1.4198 0.9713 1.4014 0.9912 0.9813 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 -0.026838228 -2050.687062160554 -3.43866 4.34428 0.90562 34.53885 -33.71633 0.82252 8.36804 -7.41638 0.95166 1.54995 3.93966