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:2.0075,-5.716,1.5074;1.8405,-7.2575,-.9243;-1.3259,-.9371,-.8674;-.0593,-1.0779,.973;-.4681,4.0525,1.8372;-4.5085,-.1724,-1.3514;2.0902,-2.0574,-1.0952;1.5148,-3.2357,-.3673;.5855,-2.2339,-1.0242;2.7833,-.9954,-.2766;2.7111,-2.2431,-2.4595;1.5801,-4.5996,-.9058;-.2583,-1.3725,-.1726;1.7827,-5.702,-.1949;-2.1631,.0088,-.214;-1.6071,1.4065,-.3423;-3.4715,-.1033,-.8624;-1.2945,2.1288,.7959;-1.4004,1.9547,-1.6038;-.7763,3.4143,.6785;-.874,3.2291,-1.7083;-.5579,3.967,-.5764;-.4335,5.4212,1.8618;.7382,6.0411,2.2644;-1.5578,6.1695,1.5381;.7825,7.4257,2.3459;-1.4982,7.5514,1.6157;-.33,8.1846,2.0175;1.5564,-3.1602,.7132;.1152,-2.5421,-1.951;3.8439,-1.238,-.195;2.3857,-.904,.7304;2.7028,-.02,-.7592;2.1633,-2.9403,-3.0923;3.7337,-2.6119,-2.3677;2.7469,-1.2896,-2.9878;1.4488,-4.7348,-1.9721;-2.2885,-.2493,.8422;-1.439,1.7024,1.7806;-1.6535,1.3955,-2.4953;-.7058,3.6633,-2.6846;-.1447,4.9616,-.678;1.602,5.4409,2.5175;-2.4714,5.6755,1.2325;1.6957,7.9112,2.6634;-2.3736,8.1358,1.3656;-.2904,9.2636,2.0785; 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 2650.1519868291 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 6.998e-06 Time for diagonalization 0.278 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.267 sec Total time needed 0.552 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:2.0075,-5.716,1.5074;1.8405,-7.2575,-.9243;-1.3259,-.9371,-.8674;-.0593,-1.0779,.973;-.4681,4.0525,1.8372;-4.5085,-.1724,-1.3514;2.0902,-2.0574,-1.0952;1.5148,-3.2357,-.3673;.5855,-2.2339,-1.0242;2.7833,-.9954,-.2766;2.7111,-2.2431,-2.4595;1.5801,-4.5996,-.9058;-.2583,-1.3725,-.1726;1.7827,-5.702,-.1949;-2.1631,.0088,-.214;-1.6071,1.4065,-.3423;-3.4715,-.1033,-.8624;-1.2945,2.1288,.7959;-1.4004,1.9547,-1.6038;-.7763,3.4143,.6785;-.874,3.2291,-1.7083;-.5579,3.967,-.5764;-.4335,5.4212,1.8618;.7382,6.0411,2.2644;-1.5578,6.1695,1.5381;.7825,7.4257,2.3459;-1.4982,7.5514,1.6157;-.33,8.1846,2.0175;1.5564,-3.1602,.7132;.1152,-2.5421,-1.951;3.8439,-1.238,-.195;2.3857,-.904,.7304;2.7028,-.02,-.7592;2.1633,-2.9403,-3.0923;3.7337,-2.6119,-2.3677;2.7469,-1.2896,-2.9878;1.4488,-4.7348,-1.9721;-2.2885,-.2493,.8422;-1.439,1.7024,1.7806;-1.6535,1.3955,-2.4953;-.7058,3.6633,-2.6846;-.1447,4.9616,-.678;1.602,5.4409,2.5175;-2.4714,5.6755,1.2325;1.6957,7.9111,2.6634;-2.3736,8.1358,1.3656;-.2904,9.2636,2.0785; 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:2.0075,-5.716,1.5074;1.8405,-7.2575,-.9243;-1.3259,-.9371,-.8674;-.0593,-1.0779,.973;-.4681,4.0525,1.8372;-4.5085,-.1724,-1.3514;2.0902,-2.0574,-1.0952;1.5148,-3.2357,-.3673;.5855,-2.2339,-1.0242;2.7833,-.9954,-.2766;2.7111,-2.2431,-2.4595;1.5801,-4.5996,-.9058;-.2583,-1.3725,-.1726;1.7827,-5.702,-.1949;-2.1631,.0088,-.214;-1.6071,1.4065,-.3423;-3.4715,-.1033,-.8624;-1.2945,2.1288,.7959;-1.4004,1.9547,-1.6038;-.7763,3.4143,.6785;-.874,3.2291,-1.7083;-.5579,3.967,-.5764;-.4335,5.4212,1.8618;.7382,6.0411,2.2644;-1.5578,6.1695,1.5381;.7825,7.4257,2.3459;-1.4982,7.5514,1.6157;-.33,8.1846,2.0175;1.5564,-3.1602,.7132;.1152,-2.5421,-1.951;3.8439,-1.238,-.195;2.3857,-.904,.7304;2.7028,-.02,-.7592;2.1633,-2.9403,-3.0923;3.7337,-2.6119,-2.3677;2.7469,-1.2896,-2.9878;1.4488,-4.7348,-1.9721;-2.2885,-.2493,.8422;-1.439,1.7024,1.7806;-1.6535,1.3955,-2.4953;-.7058,3.6633,-2.6846;-.1447,4.9616,-.678;1.602,5.4409,2.5175;-2.4714,5.6755,1.2325;1.6957,7.9112,2.6634;-2.3736,8.1358,1.3656;-.2904,9.2636,2.0785; -2050.66150746 2650.15198683 -4700.81349429 -8075.55005083 3374.73655654 -4095.19750190 2044.53599443 2.00299604 107.999973498571 107.999973498571 215.999946997141 -151.870652787668 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 -2765.7060 -2765.6536 -525.3234 -524.7720 -523.4434 -392.7371 -283.7725 -283.0008 -282.9672 -281.9360 -281.7085 -280.9807 -280.9545 -280.7062 -280.6779 -280.6711 -280.5937 -280.2684 -280.2040 -280.1504 -280.1302 -280.1215 -280.1102 -280.0640 -280.0283 -279.9718 -279.8995 -279.6325 -260.9746 -260.9216 -199.8178 -199.7667 -199.5694 -199.5621 -199.5141 -199.5096 -34.2506 -33.2009 -31.6681 -28.5658 -28.2392 -27.9561 -27.3895 -26.9154 -26.0690 -25.5367 -24.4825 -24.3537 -23.9811 -23.8548 -23.3919 -23.2315 -22.4116 -21.4580 -20.8262 -20.2605 -20.0263 -19.6121 -19.2647 -18.6511 -18.4618 -18.2673 -17.5798 -17.2188 -17.1834 -16.6732 -16.4803 -16.4387 -16.2169 -16.1244 -16.0002 -15.6488 -15.3221 -15.1252 -15.0196 -14.8059 -14.6343 -14.6005 -14.3132 -14.2533 -14.0925 -14.0328 -13.8393 -13.5427 -13.4502 -13.2639 -13.1777 -13.1413 -12.9511 -12.7715 -12.7666 -12.4848 -12.4215 -12.2464 -12.2007 -12.0137 -11.8596 -11.7778 -11.6741 -11.4878 -11.2557 -10.8668 -10.6463 -9.8999 -9.6854 -9.5513 -9.0668 -8.7504 0.8131 1.1989 1.2339 1.4792 1.7480 2.0550 2.4872 2.6424 2.7299 2.9762 3.1378 3.4269 3.5361 3.6555 3.9649 4.0208 4.2003 4.2777 4.3649 4.5173 4.5608 4.6188 4.8233 4.8512 4.8857 5.0662 5.1644 5.3460 5.4497 5.6832 5.7040 5.8403 5.9253 5.9441 6.0696 6.3106 6.3922 6.5809 6.7816 6.8407 6.8990 7.0336 7.1985 7.3000 7.3901 7.5847 7.6196 7.6941 7.7828 7.8454 7.9161 8.0661 8.0764 8.1488 8.3416 8.3734 8.4975 8.5191 8.6162 8.7130 8.8974 9.0815 9.1711 9.2040 9.3149 9.4316 9.5678 9.6123 9.7644 9.8643 9.9940 10.0447 10.0599 10.1727 10.3912 10.4780 10.5143 10.5912 10.7784 10.9381 10.9809 11.1389 11.2009 11.2659 11.3496 11.4360 11.5096 11.6106 11.6727 11.7024 11.7610 11.8872 11.9568 12.0149 12.1226 12.2894 12.3679 12.4596 12.5051 12.6341 12.6991 12.7544 12.8996 12.9745 13.0584 13.0866 13.2001 13.2594 13.3799 13.4999 13.5372 13.5670 13.6088 13.7634 13.8390 13.9077 13.9791 14.1188 14.1938 14.2532 14.3875 14.4646 14.5579 14.7226 14.8324 14.8513 15.0028 15.0680 15.1233 15.1880 15.3116 15.4540 15.5322 15.6113 15.6885 15.8381 15.9224 15.9289 16.0956 16.1703 16.2241 16.2744 16.3673 16.5770 16.6029 16.8176 16.8877 16.9200 16.9511 17.1973 17.4369 17.5661 17.7356 17.8783 17.9041 17.9613 18.3672 18.5215 18.5928 18.6847 18.7352 18.9720 19.0987 19.2224 19.3310 19.5141 19.6118 19.6424 19.8372 20.0162 20.2482 20.3226 20.3717 20.4749 20.5413 20.7622 20.8749 20.9777 21.0653 21.2053 21.3072 21.3280 21.3857 21.5403 21.7885 21.8161 21.9976 22.1306 22.3245 22.4905 22.6363 22.7090 22.8898 23.0027 23.1923 23.2805 23.3244 23.5118 23.5838 23.7751 23.8623 24.0221 24.0878 24.3010 24.3696 24.5091 24.6250 24.8398 24.9255 25.0818 25.2530 25.5600 25.7494 26.0420 26.1596 26.2382 26.4132 26.5989 26.9170 26.9876 27.0202 27.1803 27.3050 27.3966 27.6865 27.7981 27.9026 27.9829 28.1743 28.3229 28.4118 28.4951 28.6129 28.8593 29.0334 29.0567 29.1822 29.2900 29.4780 29.5807 29.6521 29.7764 29.8213 30.1555 30.1828 30.2344 30.4660 30.5498 30.6715 30.7839 31.1293 31.1723 31.5108 31.5896 31.7065 31.7450 31.8455 31.9767 32.3128 32.3413 32.4791 32.5702 32.6080 32.6879 32.9632 33.1418 33.3001 33.4782 33.5993 33.8082 33.9472 34.0267 34.2088 34.2603 34.4291 34.5940 34.7450 34.8375 35.0282 35.1055 35.2270 35.4126 35.6766 35.8062 35.8687 35.9777 36.0226 36.0744 36.2884 36.3953 36.5707 36.7010 36.9740 37.0673 37.1630 37.4147 37.4689 37.7061 37.7549 37.9013 37.9454 38.0794 38.2054 38.2733 38.3759 38.5585 38.6200 38.6898 38.7240 38.8858 39.0850 39.1092 39.3360 39.5711 39.6849 39.9016 40.0667 40.2150 40.3089 40.4703 40.5232 40.6735 40.8576 40.9497 41.1734 41.2453 41.5139 41.6177 41.7322 41.9113 42.1815 42.2112 42.2432 42.5242 42.6292 42.8328 42.9244 43.0478 43.1390 43.2312 43.4800 43.5671 43.6412 43.8515 43.9002 44.0257 44.1100 44.1442 44.2319 44.4954 44.5220 44.5724 45.1097 45.2105 45.3758 45.4779 45.5679 45.6843 45.9231 46.0057 46.0535 46.3451 46.5197 46.6494 46.8712 47.1028 47.2172 47.2615 47.5485 47.5756 47.8990 47.9917 48.0226 48.2141 48.4454 48.5402 48.7308 48.8433 49.0274 49.1550 49.3345 49.8536 49.9747 50.1917 50.2223 50.3657 50.6655 50.7413 50.7588 50.9702 51.1425 51.3820 51.4622 51.5045 51.6706 51.9265 52.0910 52.2368 52.3686 52.3836 52.5405 52.6795 52.8905 52.9302 53.1775 53.4303 53.9267 54.0411 54.4097 54.7152 54.7941 55.0296 55.2037 55.2135 55.4594 55.6652 55.8863 56.0168 56.2425 56.4344 56.7248 56.8322 56.9537 57.1624 57.4288 57.5178 57.6300 58.0938 58.1745 58.2179 58.5761 58.6777 58.7104 58.8765 58.9646 59.2677 59.2890 59.4176 59.7694 59.8700 59.9579 60.2369 60.3063 60.5210 60.6273 61.0488 61.1775 61.4869 61.7038 61.9998 62.1640 62.3456 62.8565 62.9731 63.0863 63.1608 63.2998 63.4318 63.6633 63.9124 63.9751 64.2825 64.4114 64.6147 64.7412 64.9983 65.0761 65.3848 65.5456 65.6711 65.7448 65.9993 66.1247 66.4080 66.5409 66.6912 67.0972 67.2810 67.3371 67.5524 67.6668 67.9049 68.2073 68.4719 68.6425 68.8443 68.9981 69.2847 69.4637 69.8256 70.1995 70.2488 70.7249 71.0703 71.4067 71.6899 71.9169 72.2936 72.4810 72.7516 72.8528 73.0422 73.4041 73.4186 73.6920 74.0298 74.1676 74.3184 74.3810 74.4952 74.5740 74.9668 75.1750 75.2790 75.5213 75.6130 75.9467 76.2747 76.3404 76.7241 76.8417 76.9317 77.0349 77.1933 77.3226 77.5435 77.7413 77.8455 77.9578 78.0837 78.2052 78.3647 78.4976 78.7079 78.8171 78.9327 79.0678 79.1926 79.2424 79.2933 79.4533 79.6349 79.7228 79.8059 79.9960 80.1893 80.3585 80.6733 80.7053 80.8068 80.9375 81.1696 81.2139 81.3997 81.6055 81.7686 81.8691 82.0238 82.1090 82.1872 82.2897 82.4833 82.5848 82.6837 82.7018 82.9310 83.2577 83.5334 83.5788 83.7876 83.9023 84.0855 84.2148 84.3634 84.4744 84.4954 84.6890 84.7496 84.8915 85.0542 85.1759 85.3010 85.3696 85.3820 85.5138 85.6026 85.8199 85.9273 85.9944 86.2328 86.3076 86.4577 86.4994 86.7168 86.8492 87.1826 87.2237 87.5539 87.7042 87.7210 87.9704 88.0216 88.1701 88.3135 88.3824 88.5525 88.6661 88.7491 88.8033 88.8780 89.0542 89.1405 89.3609 89.4388 89.5127 89.6223 89.7492 89.8017 89.9972 90.1961 90.2894 90.4068 90.7508 90.7937 90.8705 91.1036 91.2627 91.3749 91.4235 91.6786 91.8014 92.0406 92.1928 92.2558 92.3267 92.3509 92.4330 92.5475 92.8480 92.8933 93.0452 93.0914 93.1993 93.3051 93.5325 93.7082 93.8036 93.8590 93.9854 94.1402 94.2502 94.2891 94.4510 94.5712 94.6654 94.7988 94.8108 94.9290 95.1949 95.3181 95.4045 95.5862 95.8594 95.9893 96.1873 96.4473 96.5625 96.6318 96.7297 96.8123 96.9595 97.1033 97.1999 97.4531 97.5735 97.6891 97.8496 97.9442 98.0252 98.2593 98.3022 98.4149 98.5358 98.6344 98.8045 98.8843 99.1189 99.5483 99.6755 99.8615 100.0759 100.2052 100.3432 100.3841 100.6767 100.9696 101.0822 101.2006 101.5701 101.9086 102.0785 102.1949 102.3464 102.6025 102.7201 102.7860 103.1034 103.3720 103.7818 103.9244 104.1485 104.2513 104.3772 104.6149 104.7710 104.7989 105.1023 105.1434 105.2339 105.2797 105.3582 105.4258 105.5655 105.6752 106.1354 106.2404 106.2558 106.3992 106.4919 106.6835 106.8865 106.9652 107.1506 107.2850 107.3808 107.6972 107.8390 107.9932 108.0504 108.2856 108.5006 108.7275 108.9386 109.1006 109.2309 109.2602 109.5405 109.7672 109.9049 110.2748 110.3272 110.4271 110.5744 110.6481 110.8368 110.8930 111.0960 111.2168 111.4606 111.5202 111.6283 111.9327 112.0342 112.4662 112.4837 112.7612 112.9424 113.0813 113.1955 113.3161 113.5001 113.8317 113.9942 114.0545 114.2866 114.3940 114.5258 114.8860 114.9118 115.2247 115.3795 115.5426 115.7619 115.9045 116.0303 116.1579 116.3416 116.4170 116.4968 116.6152 116.7388 117.0119 117.1393 117.4045 117.4820 117.6162 117.7195 117.7863 117.8439 118.0568 118.3014 118.3159 118.4806 118.5480 118.6102 118.7998 119.0832 119.2541 119.5004 119.7116 119.7684 120.1282 120.2009 120.2996 120.4508 120.5252 120.9998 121.0795 121.3239 121.5671 121.6525 121.8869 122.0675 122.4379 122.5785 122.8429 122.9686 123.2846 123.5485 123.5691 123.7261 124.0767 124.2780 125.1069 125.1933 125.4701 125.6837 125.9800 126.4090 126.4807 126.7355 126.8282 127.2454 127.8082 127.9112 128.0250 128.2770 128.5048 128.7592 128.8851 128.9331 129.2918 129.3374 129.5284 129.8748 130.0126 130.2229 130.3633 130.4426 130.6414 130.8087 130.9509 131.0496 131.3233 131.7115 131.7378 132.1191 132.2223 132.2876 132.6539 132.9875 133.0172 133.2272 133.9077 134.0851 134.1753 134.7420 134.8614 134.9204 135.2022 135.6264 135.8017 136.3025 136.6606 137.1154 137.3213 137.6758 137.8160 138.0965 138.1975 138.2302 138.5882 139.1336 139.1650 139.3433 139.3752 140.3647 140.8291 140.9099 141.2651 141.4135 141.6995 142.5480 142.7238 142.8810 143.6525 143.8092 143.9321 144.0046 144.0534 144.1113 144.3856 144.6901 145.0991 145.2587 145.5754 145.6764 145.9418 146.0282 146.1705 146.6780 146.9722 147.0660 147.2733 147.4542 147.9720 148.1164 148.2103 148.5478 148.8028 149.2359 149.3445 149.6940 150.0697 150.1090 150.5284 150.9461 151.2699 151.5679 151.9797 152.0011 152.1711 152.7433 153.1580 153.5325 154.3599 154.4319 154.6369 155.5373 155.8154 156.2389 156.5143 156.8167 156.9113 157.3232 157.3999 157.6707 158.3639 158.8690 159.1872 159.3566 159.4673 159.5621 160.4490 161.1027 161.5063 161.6877 162.2835 162.8321 163.5757 163.9140 164.5710 165.2430 167.0503 168.0118 168.5006 169.9437 172.3546 172.4356 172.7487 173.2604 174.1938 175.5972 177.2446 178.5528 179.0504 181.2567 182.1813 184.8654 186.1277 186.5754 187.2906 189.2068 189.8697 191.6018 192.4298 193.5010 196.0650 196.3490 198.8523 201.5333 204.8714 206.4709 206.4835 221.3121 221.6487 222.3786 222.9001 222.9213 223.5047 225.7445 225.9700 227.9103 229.3362 294.4758 294.7513 295.6988 297.1225 308.5572 313.3443 608.9621 618.2560 620.6945 625.2588 628.7780 630.8780 631.5208 632.4890 633.7313 634.1539 635.1183 635.1631 636.4850 636.6365 637.4087 639.2688 641.8650 643.7557 647.0325 650.1166 657.2107 658.0475 702.1964 708.1319 876.5744 1200.3439 1212.4896 1215.0951 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 -0.038250 -0.044377 -0.264040 -0.372821 -0.294149 -0.001277 0.066592 0.042445 -0.088286 -0.245939 -0.247862 -0.201939 0.346755 0.051279 0.316414 0.019854 -0.255686 -0.151575 -0.184651 0.197815 -0.121364 -0.139430 0.206055 -0.181868 -0.147502 -0.105738 -0.120070 -0.129595 0.086736 0.082294 0.090285 0.102975 0.088342 0.074393 0.100502 0.094095 0.096596 0.119094 0.114617 0.124142 0.130779 0.133769 0.128037 0.136334 0.127805 0.129969 0.128444 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 17.0383 17.0444 8.2640 8.3728 8.2941 7.0013 5.9334 5.9576 6.0883 6.2459 6.2479 6.2019 5.6532 5.9487 5.6836 5.9801 6.2557 6.1516 6.1847 5.8022 6.1214 6.1394 5.7939 6.1819 6.1475 6.1057 6.1201 6.1296 0.9133 0.9177 0.9097 0.8970 0.9117 0.9256 0.8995 0.9059 0.9034 0.8809 0.8854 0.8759 0.8692 0.8662 0.8720 0.8637 0.8722 0.8700 0.8716 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 -0.0383 -0.0444 -0.2640 -0.3728 -0.2941 -0.0013 0.0666 0.0424 -0.0883 -0.2459 -0.2479 -0.2019 0.3468 0.0513 0.3164 0.0199 -0.2557 -0.1516 -0.1847 0.1978 -0.1214 -0.1394 0.2061 -0.1819 -0.1475 -0.1057 -0.1201 -0.1296 0.0867 0.0823 0.0903 0.1030 0.0883 0.0744 0.1005 0.0941 0.0966 0.1191 0.1146 0.1241 0.1308 0.1338 0.1280 0.1363 0.1278 0.1300 0.1284 1.2893 1.2607 2.1315 2.1329 2.1082 3.1194 3.7626 3.8345 3.8626 3.9146 3.9084 3.9213 4.2502 4.2535 3.8379 3.6684 4.0238 4.0456 4.0275 3.9139 3.9683 3.9215 3.8330 4.0276 3.9635 3.9372 3.9445 3.9484 1.0499 1.0353 1.0010 1.0211 1.0021 1.0102 1.0023 1.0043 1.0316 1.0207 1.0282 1.0176 1.0008 1.0052 1.0116 1.0018 0.9990 0.9995 0.9997 1.2893 1.2607 2.1315 2.1329 2.1082 3.1194 3.7626 3.8345 3.8626 3.9146 3.9084 3.9213 4.2502 4.2535 3.8379 3.6684 4.0238 4.0456 4.0275 3.9139 3.9683 3.9215 3.8330 4.0276 3.9635 3.9372 3.9445 3.9484 1.0499 1.0353 1.0010 1.0211 1.0021 1.0102 1.0023 1.0043 1.0316 1.0207 1.0282 1.0176 1.0008 1.0052 1.0116 1.0018 0.9990 0.9995 0.9997 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.1984 1.1554 1.1350 0.8710 1.9487 1.0096 0.9136 3.0591 0.9141 0.8589 0.9652 0.9531 0.9119 1.0249 0.9871 1.0457 1.0138 0.9885 0.9832 0.9899 0.9872 0.9943 0.9883 1.8708 0.9526 0.9114 0.9294 1.0033 1.4119 1.3583 1.4358 0.9462 1.4798 0.9727 1.3714 1.4163 0.9706 0.9598 1.4332 1.3862 1.4278 0.9714 1.4342 0.9659 1.4324 0.9733 1.4260 0.9718 0.9756 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 -0.022864564 -2050.684372027517 5.29873 -3.84850 1.45022 43.71863 -42.29465 1.42398 -7.27560 6.77684 -0.49876 2.09276 5.31937