Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 1 1 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-2.7752,-.5364,3.002;-4.6456,.4411,1.036;1.6775,-1.657,-1.1524;1.4263,-2.3906,.9465;1.9117,3.346,-.0733;4.2445,-1.1805,-3.1871;-1.3335,-3.4134,-.1597;-1.5189,-2.131,.5959;-.4744,-2.2149,-.5031;-.757,-4.5903,.5895;-2.3393,-3.8229,-1.2098;-2.6842,-1.2602,.4071;.9483,-2.117,-.1187;-3.2799,-.5551,1.3616;3.0393,-1.3655,-.8766;3.1935,-.0798,-.0987;3.6947,-1.2648,-2.1823;2.4517,1.0335,-.4717;4.0761,-.0172,.9662;2.5907,2.2136,.2442;4.2261,1.1765,1.6567;3.4838,2.29,1.3072;.6614,3.2552,-.6238;-.3477,2.524,-.0094;.4125,3.9662,-1.7867;-1.6151,2.5137,-.57;-.8621,3.9525,-2.3344;-1.8779,3.227,-1.7314;-1.1036,-2.1379,1.5969;-.7157,-1.7278,-1.4412;-.2177,-5.2535,-.089;-1.5677,-5.1665,1.0379;-.077,-4.2985,1.3853;-3.2093,-4.2902,-.7463;-1.8948,-4.5497,-1.8909;-2.6928,-2.9906,-1.8172;-3.1022,-1.1716,-.588;3.5091,-2.1865,-.3248;1.7723,.9834,-1.3137;4.6373,-.8935,1.2633;4.913,1.2341,2.4901;3.5851,3.2195,1.8513;-.1514,1.9759,.9035;1.2114,4.5299,-2.2499;-2.4057,1.9566,-.0856;-1.0573,4.5111,-3.2401;-2.8712,3.2211,-2.1593; 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 2865.0216960653 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 6.967e-06 Time for diagonalization 0.406 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.337 sec Total time needed 0.755 sec 17 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-2.7752,-.5364,3.002;-4.6456,.4411,1.036;1.6775,-1.657,-1.1524;1.4263,-2.3905,.9465;1.9117,3.346,-.0733;4.2445,-1.1805,-3.1871;-1.3335,-3.4134,-.1597;-1.5189,-2.131,.5959;-.4744,-2.2149,-.5031;-.757,-4.5903,.5895;-2.3393,-3.8229,-1.2098;-2.6842,-1.2602,.4071;.9483,-2.117,-.1187;-3.2799,-.5551,1.3616;3.0393,-1.3655,-.8766;3.1935,-.0798,-.0987;3.6947,-1.2648,-2.1823;2.4517,1.0335,-.4717;4.0761,-.0172,.9662;2.5907,2.2136,.2442;4.2261,1.1765,1.6567;3.4838,2.29,1.3072;.6614,3.2552,-.6238;-.3477,2.524,-.0094;.4125,3.9662,-1.7867;-1.6151,2.5137,-.57;-.8621,3.9525,-2.3344;-1.8779,3.227,-1.7314;-1.1036,-2.1379,1.5969;-.7157,-1.7278,-1.4412;-.2177,-5.2535,-.089;-1.5677,-5.1665,1.0379;-.077,-4.2985,1.3853;-3.2093,-4.2902,-.7463;-1.8948,-4.5497,-1.8909;-2.6928,-2.9906,-1.8172;-3.1022,-1.1716,-.588;3.5091,-2.1865,-.3248;1.7723,.9834,-1.3137;4.6373,-.8935,1.2633;4.913,1.2341,2.4901;3.5851,3.2195,1.8513;-.1514,1.9759,.9035;1.2114,4.5299,-2.2499;-2.4057,1.9566,-.0856;-1.0573,4.5111,-3.2402;-2.8712,3.2211,-2.1593; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-2.7752,-.5364,3.002;-4.6456,.4411,1.036;1.6775,-1.657,-1.1524;1.4263,-2.3906,.9465;1.9117,3.346,-.0733;4.2445,-1.1805,-3.1871;-1.3335,-3.4134,-.1597;-1.5189,-2.131,.5959;-.4744,-2.2149,-.5031;-.757,-4.5903,.5895;-2.3393,-3.8229,-1.2098;-2.6842,-1.2602,.4071;.9483,-2.117,-.1187;-3.2799,-.5551,1.3616;3.0393,-1.3655,-.8766;3.1935,-.0798,-.0987;3.6947,-1.2648,-2.1823;2.4517,1.0335,-.4717;4.0761,-.0172,.9662;2.5907,2.2136,.2442;4.2261,1.1765,1.6567;3.4838,2.29,1.3072;.6614,3.2552,-.6238;-.3477,2.524,-.0094;.4125,3.9662,-1.7867;-1.6151,2.5137,-.57;-.8621,3.9525,-2.3344;-1.8779,3.227,-1.7314;-1.1036,-2.1379,1.5969;-.7157,-1.7278,-1.4412;-.2177,-5.2535,-.089;-1.5677,-5.1665,1.0379;-.077,-4.2985,1.3853;-3.2093,-4.2902,-.7463;-1.8948,-4.5497,-1.8909;-2.6928,-2.9906,-1.8172;-3.1022,-1.1716,-.588;3.5091,-2.1865,-.3248;1.7723,.9834,-1.3137;4.6373,-.8935,1.2633;4.913,1.2341,2.4901;3.5851,3.2195,1.8513;-.1514,1.9759,.9035;1.2114,4.5299,-2.2499;-2.4057,1.9566,-.0856;-1.0573,4.5111,-3.2401;-2.8712,3.2211,-2.1593; -2050.66141879 2865.02169607 -4915.68311485 -8505.09960380 3589.41648895 -4095.19938700 2044.53796821 2.00299503 108.000003872338 108.000003872338 216.000007744676 -151.872543787945 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 -2765.8597 -2765.8469 -525.3687 -524.6964 -523.4903 -392.7286 -283.8192 -283.1130 -283.0289 -281.8652 -281.6390 -281.0572 -280.9467 -280.7759 -280.7510 -280.7471 -280.6884 -280.2038 -280.1563 -280.0917 -280.0487 -280.0255 -280.0141 -279.9706 -279.9618 -279.9207 -279.8654 -279.7097 -261.1266 -261.1133 -199.9704 -199.9582 -199.7219 -199.7137 -199.7063 -199.7020 -34.3154 -33.1277 -31.7210 -28.7143 -28.2369 -28.0448 -27.3371 -26.8333 -26.2346 -25.5418 -24.4836 -24.3192 -23.9361 -23.8550 -23.5110 -23.1411 -22.4834 -21.5180 -20.8059 -20.2152 -19.9175 -19.4539 -19.2841 -18.7419 -18.5517 -18.3000 -17.7692 -17.2398 -17.0971 -16.6549 -16.5295 -16.3295 -16.3040 -16.0532 -15.9874 -15.6920 -15.3392 -15.1279 -15.0336 -14.9148 -14.6624 -14.5672 -14.3579 -14.2519 -14.1227 -14.0302 -13.8332 -13.6582 -13.4262 -13.2989 -13.2658 -12.9929 -12.8523 -12.7748 -12.6894 -12.5626 -12.4039 -12.2656 -12.2087 -12.1430 -11.9331 -11.7844 -11.7580 -11.5200 -11.4120 -10.9637 -10.6604 -9.8413 -9.5819 -9.5079 -9.1898 -8.6643 0.8070 1.0861 1.2880 1.5375 1.8340 1.9941 2.3231 2.5558 2.6297 2.9828 3.1232 3.3192 3.5225 3.6355 3.8180 3.9199 4.0734 4.2522 4.4498 4.5164 4.5667 4.5950 4.7915 4.9068 4.9670 5.0996 5.2583 5.4685 5.6318 5.7832 5.8573 5.9403 6.0150 6.0771 6.1810 6.3123 6.3759 6.5421 6.6330 6.6930 7.0175 7.0761 7.2962 7.3837 7.4261 7.4791 7.5964 7.7306 7.7714 7.9385 7.9504 8.1036 8.1676 8.2934 8.3196 8.4711 8.5094 8.5921 8.8608 8.9399 9.0211 9.0561 9.2343 9.3510 9.4185 9.4479 9.6949 9.8103 9.9127 9.9963 10.0843 10.1559 10.2436 10.3285 10.4439 10.4630 10.7389 10.7747 10.8299 10.9387 11.1639 11.3192 11.3745 11.3779 11.4589 11.5341 11.6154 11.6518 11.7879 11.8430 11.8928 12.0109 12.0191 12.1631 12.2538 12.3085 12.3990 12.4726 12.6518 12.6708 12.8178 12.8919 12.9372 13.0192 13.1527 13.2300 13.4160 13.4356 13.5675 13.7155 13.7333 13.8199 13.9343 14.0344 14.0736 14.0951 14.1271 14.3588 14.3869 14.4714 14.6004 14.6784 14.7193 14.8035 14.8984 15.0845 15.1766 15.2878 15.2990 15.4353 15.5039 15.6017 15.6748 15.7908 15.8265 15.9334 16.0575 16.0786 16.2914 16.4915 16.5166 16.6042 16.6319 16.7445 16.7858 16.9609 17.1755 17.1952 17.3595 17.5049 17.5283 17.7155 17.8654 18.0851 18.2761 18.3372 18.4952 18.6276 18.8460 18.8926 19.0882 19.3027 19.4757 19.5808 19.7258 19.8135 20.0094 20.1603 20.2292 20.4282 20.5467 20.6508 20.7044 20.7839 20.8917 21.0204 21.1722 21.2657 21.3318 21.3893 21.4967 21.6023 21.7425 21.8394 21.9230 22.1858 22.3808 22.4162 22.6092 22.7909 22.8843 22.9892 23.0563 23.2489 23.3926 23.5131 23.6487 23.8802 23.9214 24.0387 24.1522 24.4161 24.5062 24.6279 24.6564 24.8806 25.0309 25.1580 25.3405 25.4160 25.5517 25.6265 25.7549 26.0575 26.1914 26.4430 26.5616 26.6782 26.9159 26.9994 27.1647 27.3152 27.4554 27.6052 27.7734 27.8725 27.9999 28.1704 28.2259 28.2614 28.5238 28.7412 28.8748 29.0030 29.2410 29.3710 29.4582 29.5125 29.6886 29.7776 29.8897 30.0971 30.2584 30.4383 30.4724 30.6576 30.6905 30.9045 31.0651 31.1807 31.4099 31.5912 31.6603 31.7916 31.9085 32.0100 32.1250 32.3084 32.5165 32.5626 32.7529 32.8758 32.9158 32.9901 33.2280 33.3203 33.4432 33.4789 33.5762 33.9020 34.0047 34.0320 34.2519 34.2881 34.5171 34.7296 34.9721 35.0761 35.2031 35.2429 35.5323 35.6647 35.8186 35.8725 35.9555 36.0886 36.2012 36.3748 36.4418 36.5193 36.6642 36.9451 37.1390 37.2305 37.2990 37.5803 37.7250 37.7365 37.7904 37.9201 38.0718 38.2628 38.4160 38.4279 38.6756 38.7624 38.8777 38.9234 39.1065 39.1636 39.2715 39.3410 39.4663 39.6693 39.8234 40.0183 40.2089 40.2989 40.3360 40.4339 40.5632 40.8558 41.2242 41.2462 41.5355 41.5708 41.6785 41.7877 41.9387 42.0564 42.1861 42.3646 42.4931 42.7481 42.8799 43.0596 43.1039 43.2142 43.4175 43.5088 43.6936 43.8175 43.8476 43.9836 44.0485 44.1867 44.3316 44.4636 44.6176 44.7719 44.8984 45.1243 45.3866 45.4592 45.4836 45.6985 46.0065 46.1383 46.1540 46.2724 46.4930 46.5440 46.6705 47.0072 47.1358 47.3319 47.4713 47.6570 47.7608 47.9084 48.0675 48.1154 48.3154 48.5838 48.6066 48.7296 49.0249 49.1314 49.2175 49.4707 49.7196 49.8245 50.1606 50.3707 50.4025 50.6342 50.7425 50.8264 50.9147 51.2076 51.2945 51.4612 51.6124 51.7112 51.9302 52.0054 52.2148 52.3418 52.5898 52.6859 52.9242 53.0780 53.2788 53.6037 53.9468 54.0659 54.1406 54.4337 54.4430 54.5434 55.2556 55.2842 55.4875 55.6860 55.8577 56.1286 56.2560 56.4546 56.7684 56.8604 56.9458 57.1398 57.2702 57.4401 57.6678 57.7808 57.8387 57.9319 58.0375 58.1706 58.4877 58.5941 58.6828 58.9037 59.2267 59.4151 59.5577 59.7496 59.7897 60.0891 60.2859 60.3571 60.6090 60.8772 60.9278 61.0170 61.4726 61.6197 61.8993 61.9263 62.3395 62.6823 63.0114 63.1643 63.3335 63.5744 63.7220 63.8005 63.9471 64.2101 64.2310 64.4383 64.8547 65.0545 65.1275 65.2019 65.3472 65.5253 65.6569 65.8411 65.9704 66.0582 66.3866 66.4432 66.7238 67.0596 67.3148 67.4385 67.6086 67.6551 68.0044 68.0432 68.3716 68.4980 68.7594 68.8212 68.9764 69.5085 69.7323 69.7800 70.0668 70.2844 70.5877 71.0939 71.3242 71.6351 71.8758 72.0289 72.1942 72.7007 72.7330 72.9758 73.4112 73.5640 73.7548 74.0108 74.2110 74.2867 74.6577 74.8156 75.0476 75.1600 75.3190 75.5058 75.5847 75.9547 76.1320 76.4479 76.4889 76.6357 76.7591 76.9227 77.0008 77.2883 77.3540 77.4984 77.6938 77.7807 77.9453 78.2197 78.3310 78.4643 78.7550 78.8061 78.8772 78.9223 79.0977 79.1683 79.3378 79.4360 79.6884 79.7988 79.8272 79.9234 80.0800 80.2114 80.5704 80.7234 80.8119 80.9205 81.2579 81.2862 81.4564 81.6019 81.6868 81.8363 81.9822 82.0069 82.2220 82.3534 82.6282 82.6795 82.7539 82.8251 83.1515 83.1684 83.2426 83.4715 83.6688 83.9499 84.0916 84.2619 84.3354 84.4046 84.5418 84.7869 84.8348 84.9228 85.0387 85.1904 85.2563 85.4429 85.5943 85.7159 85.7924 85.8964 85.9989 86.1119 86.2216 86.3354 86.3554 86.4582 86.5723 86.8179 86.9032 87.1398 87.2750 87.3755 87.6294 87.8014 87.9793 88.1052 88.3697 88.4087 88.4942 88.6475 88.8014 88.8341 88.9590 89.0787 89.1880 89.2582 89.3331 89.3993 89.5380 89.6756 89.9777 90.0123 90.1510 90.3240 90.3884 90.5815 90.6272 90.8258 90.9879 91.0417 91.1832 91.4260 91.5549 91.7184 91.9837 92.0187 92.1534 92.2809 92.3741 92.6489 92.7209 92.7914 92.9243 92.9548 92.9760 93.1925 93.2833 93.4774 93.5446 93.6982 93.8854 93.9402 93.9812 94.2650 94.3099 94.4000 94.5692 94.6584 94.9307 94.9528 95.1097 95.1989 95.2405 95.3797 95.6559 95.7001 95.8736 96.1547 96.3267 96.4870 96.6143 96.6639 96.8688 96.9184 97.1508 97.2609 97.4119 97.4491 97.6017 97.8513 98.0434 98.1993 98.3951 98.4064 98.4754 98.6529 98.7064 98.7447 98.8940 99.1099 99.4508 99.5171 99.6944 99.9131 100.1835 100.3534 100.5008 100.8708 100.9703 101.1696 101.4031 101.6165 101.7105 101.9684 102.1280 102.3059 102.3335 102.4882 102.6566 102.7782 103.1738 103.3883 103.5429 103.7599 103.8848 104.2944 104.3224 104.6339 104.8618 104.9342 105.0440 105.1302 105.2588 105.5165 105.6117 105.6376 105.7426 105.8639 106.0892 106.2330 106.2596 106.4934 106.6107 106.8130 107.0098 107.0884 107.2663 107.3606 107.5367 107.7597 107.8018 108.0050 108.3032 108.5817 108.6089 108.7263 108.8855 109.1154 109.3981 109.5840 109.7376 109.8539 109.9825 110.2556 110.3252 110.5194 110.6396 110.6799 110.9328 111.0983 111.1389 111.4174 111.4622 111.6110 111.8105 111.9768 112.2670 112.4497 112.5101 112.8054 112.9577 113.1154 113.2592 113.5130 113.6976 113.8563 114.1919 114.3558 114.6305 114.7164 114.8549 115.0278 115.1557 115.2233 115.4815 115.7418 115.8118 116.0217 116.0872 116.2758 116.4035 116.4958 116.6565 116.7820 116.9907 117.0452 117.0971 117.2120 117.3782 117.6506 117.7115 117.8215 118.0789 118.1528 118.3563 118.3932 118.4870 118.6209 118.8284 118.9590 119.1088 119.3732 119.5766 119.7579 119.8795 120.0345 120.1203 120.4173 120.5031 120.7974 120.9130 121.2874 121.3823 121.6618 121.7316 121.9291 122.0091 122.3735 122.7395 122.9935 123.2615 123.3930 123.5226 123.6133 124.1412 124.2176 124.9140 125.3030 125.3660 125.7759 125.9061 126.2660 126.3455 126.5086 126.6964 127.2034 127.4009 127.6221 127.8908 128.2684 128.4739 128.6249 128.7780 128.9692 129.1683 129.2985 129.4968 129.5873 129.7873 130.0079 130.2365 130.3760 130.5355 130.7779 131.1043 131.2468 131.4152 131.6072 131.7792 131.9137 132.1167 132.2959 132.3934 132.6467 132.7641 132.8362 133.0996 133.9166 134.0488 134.1731 134.5082 134.7852 134.7967 135.4512 135.6029 136.2291 136.3499 136.8217 137.0566 137.4208 137.6553 137.9306 138.0837 138.3771 138.5241 138.9136 139.1776 139.5203 139.5884 139.7799 140.2422 140.3882 140.9856 141.2800 141.5150 141.6134 142.1493 142.7868 142.9398 143.4022 143.5053 143.8039 144.1650 144.2257 144.3981 144.6185 144.6886 145.1275 145.3111 145.4719 145.7840 145.9470 146.0713 146.4115 146.6823 147.0344 147.2488 147.7102 147.8081 147.9387 148.4009 148.5532 148.7747 149.1201 149.2257 149.2746 149.9477 150.1799 150.3158 150.5227 150.8857 151.2272 151.7005 151.9058 152.0108 152.4806 152.8019 153.3353 153.5920 154.2662 154.4498 155.1426 155.5077 155.6784 155.9310 156.2098 156.6857 157.0622 157.2423 157.3623 158.0102 158.4546 158.8138 159.0690 159.1357 159.5056 160.1794 160.6770 161.1923 161.6027 161.8805 162.0280 162.5585 163.5007 163.6000 164.3749 165.5823 167.1520 168.0953 169.1993 169.4008 172.2283 172.7668 172.8086 172.8843 174.8971 176.0350 177.4954 178.8252 179.1090 181.0449 182.1119 185.2659 186.4440 186.8349 187.3490 188.8858 189.8354 192.0318 192.2841 193.4011 196.0773 196.4714 198.9238 201.8157 205.0918 206.2720 206.9395 221.4825 221.5438 222.5776 222.8580 223.7180 223.8656 225.7495 225.9709 228.1452 229.3576 294.7724 295.3544 296.0368 297.1664 308.7750 313.5997 609.6111 618.9226 620.8464 625.2010 629.0680 630.8290 631.9352 632.3660 634.0498 634.3367 635.2945 635.4895 636.6927 636.9212 637.4404 639.4940 642.0335 643.0320 646.8576 650.0308 657.3797 658.2539 702.9174 709.9047 876.4061 1200.1110 1211.9605 1215.1790 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 -0.036502 -0.053137 -0.270626 -0.363543 -0.298020 0.000907 0.060410 0.068624 -0.074925 -0.247390 -0.247446 -0.237308 0.321347 0.065770 0.312963 0.054011 -0.253351 -0.169316 -0.151906 0.195372 -0.087570 -0.197031 0.245821 -0.200685 -0.205633 -0.071449 -0.076534 -0.175640 0.089268 0.083008 0.088651 0.090461 0.102326 0.100520 0.096230 0.075074 0.101278 0.123090 0.133516 0.106282 0.127194 0.129863 0.131319 0.127713 0.134491 0.127047 0.125457 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 17.0365 17.0531 8.2706 8.3635 8.2980 6.9991 5.9396 5.9314 6.0749 6.2474 6.2474 6.2373 5.6787 5.9342 5.6870 5.9460 6.2534 6.1693 6.1519 5.8046 6.0876 6.1970 5.7542 6.2007 6.2056 6.0714 6.0765 6.1756 0.9107 0.9170 0.9113 0.9095 0.8977 0.8995 0.9038 0.9249 0.8987 0.8769 0.8665 0.8937 0.8728 0.8701 0.8687 0.8723 0.8655 0.8730 0.8745 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 -0.0365 -0.0531 -0.2706 -0.3635 -0.2980 0.0009 0.0604 0.0686 -0.0749 -0.2474 -0.2474 -0.2373 0.3213 0.0658 0.3130 0.0540 -0.2534 -0.1693 -0.1519 0.1954 -0.0876 -0.1970 0.2458 -0.2007 -0.2056 -0.0714 -0.0765 -0.1756 0.0893 0.0830 0.0887 0.0905 0.1023 0.1005 0.0962 0.0751 0.1013 0.1231 0.1335 0.1063 0.1272 0.1299 0.1313 0.1277 0.1345 0.1270 0.1255 1.2876 1.2491 2.1190 2.1397 2.1138 3.1206 3.7973 3.7794 3.8371 3.9146 3.9104 3.9314 4.2621 4.2008 3.8413 3.6588 4.0183 3.9305 4.0310 3.8757 3.9581 4.0360 3.8081 3.9795 4.0459 3.8625 3.9174 3.9998 1.0489 1.0352 1.0022 1.0012 1.0212 1.0020 1.0044 1.0096 1.0295 1.0200 1.0211 1.0132 0.9997 1.0110 1.0090 1.0128 1.0074 0.9984 1.0020 1.2876 1.2491 2.1190 2.1397 2.1138 3.1206 3.7973 3.7794 3.8371 3.9146 3.9104 3.9314 4.2621 4.2008 3.8413 3.6588 4.0183 3.9305 4.0310 3.8757 3.9581 4.0360 3.8081 3.9795 4.0459 3.8625 3.9174 3.9998 1.0489 1.0352 1.0022 1.0012 1.0212 1.0020 1.0044 1.0096 1.0295 1.0200 1.0211 1.0132 0.9997 1.0110 1.0090 1.0128 1.0074 0.9984 1.0020 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.1927 1.1130 1.1280 0.8662 1.9625 1.0057 0.9259 3.0571 0.9183 0.8745 0.9669 0.9531 0.8865 1.0100 0.9879 1.0347 1.0148 0.9910 0.9879 0.9833 0.9942 0.9880 0.9872 1.8631 0.9575 0.8913 0.9358 1.0030 1.3468 1.4051 1.3831 0.9514 1.4440 0.9631 1.4142 1.4579 0.9748 0.9687 1.3814 1.4302 1.4185 0.9667 1.4281 0.9709 1.4269 0.9606 1.4366 0.9750 0.9799 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 -0.026217605 -2050.687636392263 8.14130 -9.12713 -0.98583 -11.95719 11.43577 -0.52142 -11.32548 11.74388 0.41839 1.19113 3.02761