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:-2.1377,.0901,2.7306;-4.5774,.3891,1.2165;1.5099,-1.7226,-1.1847;1.4355,-2.4618,.9242;1.6213,3.2944,-.0607;3.9113,-1.0848,-3.3722;-1.3552,-3.5936,.0679;-1.5386,-2.2868,.7731;-.5651,-2.3866,-.3936;-.6901,-4.7181,.8238;-2.4117,-4.082,-.8952;-2.7583,-1.4806,.6351;.8738,-2.2168,-.1068;-3.1039,-.4739,1.428;2.8716,-1.3655,-.9919;3.0117,-.0886,-.1972;3.4345,-1.2102,-2.3352;2.2237,1.0065,-.5299;3.918,-.0188,.8462;2.3435,2.1771,.2045;4.0466,1.1665,1.5563;3.2623,2.2614,1.2462;.425,3.1893,-.7203;.2774,3.8648,-1.9205;-.63,2.4711,-.1724;-.9448,3.8277,-2.5763;-1.844,2.4377,-.8399;-2.0062,3.1148,-2.0408;-1.0476,-2.2198,1.7376;-.8886,-1.9509,-1.3316;.0273,-4.3707,1.5621;-.1704,-5.3903,.139;-1.45,-5.3021,1.3453;-3.2416,-4.5423,-.3563;-1.9903,-4.8351,-1.5618;-2.8175,-3.2918,-1.5263;-3.4482,-1.7198,-.1642;3.4172,-2.1713,-.4897;1.5245,.9466,-1.3549;4.5128,-.8825,1.1131;4.7524,1.2314,2.3733;3.349,3.1839,1.8049;1.1121,4.4187,-2.3294;-.5102,1.9523,.7706;-1.0631,4.3579,-3.5119;-2.6728,1.8919,-.4094;-2.9581,3.09,-2.5538; 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 2890.8464221575 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 7.028e-06 Time for diagonalization 0.511 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.378 sec Total time needed 0.904 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:-2.1377,.0901,2.7306;-4.5774,.3891,1.2165;1.51,-1.7226,-1.1847;1.4355,-2.4618,.9242;1.6213,3.2944,-.0607;3.9113,-1.0848,-3.3722;-1.3552,-3.5936,.0679;-1.5386,-2.2868,.7731;-.5651,-2.3866,-.3936;-.6901,-4.7181,.8238;-2.4117,-4.082,-.8952;-2.7583,-1.4806,.6351;.8738,-2.2168,-.1068;-3.1039,-.4739,1.428;2.8716,-1.3655,-.9919;3.0117,-.0886,-.1972;3.4345,-1.2102,-2.3352;2.2237,1.0065,-.5299;3.918,-.0188,.8462;2.3435,2.1771,.2045;4.0466,1.1665,1.5563;3.2623,2.2614,1.2462;.425,3.1893,-.7203;.2774,3.8648,-1.9205;-.63,2.4711,-.1724;-.9448,3.8277,-2.5763;-1.844,2.4377,-.8399;-2.0062,3.1148,-2.0408;-1.0476,-2.2198,1.7376;-.8886,-1.9509,-1.3316;.0273,-4.3707,1.5621;-.1704,-5.3903,.139;-1.45,-5.3021,1.3453;-3.2416,-4.5423,-.3563;-1.9903,-4.8351,-1.5618;-2.8175,-3.2918,-1.5263;-3.4482,-1.7198,-.1642;3.4172,-2.1713,-.4897;1.5245,.9466,-1.3549;4.5128,-.8825,1.1131;4.7524,1.2314,2.3733;3.349,3.1839,1.8049;1.1121,4.4187,-2.3294;-.5102,1.9523,.7706;-1.0631,4.3579,-3.5119;-2.6728,1.8919,-.4094;-2.9581,3.09,-2.5538; 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:-2.1377,.0901,2.7306;-4.5774,.3891,1.2165;1.5099,-1.7226,-1.1847;1.4355,-2.4618,.9242;1.6213,3.2944,-.0607;3.9113,-1.0848,-3.3722;-1.3552,-3.5936,.0679;-1.5386,-2.2868,.7731;-.5651,-2.3866,-.3936;-.6901,-4.7181,.8238;-2.4117,-4.082,-.8952;-2.7583,-1.4806,.6351;.8738,-2.2168,-.1068;-3.1039,-.4739,1.428;2.8716,-1.3655,-.9919;3.0117,-.0886,-.1972;3.4345,-1.2102,-2.3352;2.2237,1.0065,-.5299;3.918,-.0188,.8462;2.3435,2.1771,.2045;4.0466,1.1665,1.5563;3.2623,2.2614,1.2462;.425,3.1893,-.7203;.2774,3.8648,-1.9205;-.63,2.4711,-.1724;-.9448,3.8277,-2.5763;-1.844,2.4377,-.8399;-2.0062,3.1148,-2.0408;-1.0476,-2.2198,1.7376;-.8886,-1.9509,-1.3316;.0273,-4.3707,1.5621;-.1704,-5.3903,.139;-1.45,-5.3021,1.3453;-3.2416,-4.5423,-.3563;-1.9903,-4.8351,-1.5618;-2.8175,-3.2918,-1.5263;-3.4482,-1.7198,-.1642;3.4172,-2.1713,-.4897;1.5245,.9466,-1.3549;4.5128,-.8825,1.1131;4.7524,1.2314,2.3733;3.349,3.1839,1.8049;1.1121,4.4187,-2.3294;-.5102,1.9523,.7706;-1.0631,4.3579,-3.5119;-2.6728,1.8919,-.4094;-2.9581,3.09,-2.5538; -2050.66108342 2890.84642216 -4941.50750558 -8556.87216093 3615.36465535 -4095.19888830 2044.53780488 2.00299495 108.000057827096 108.000057827096 216.000115654191 -151.872658458841 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 -2765.9040 -2765.8697 -525.3373 -524.6596 -523.4523 -392.7012 -283.7881 -283.1323 -282.9932 -281.8381 -281.5861 -281.0405 -280.9199 -280.7896 -280.7474 -280.7457 -280.6357 -280.1534 -280.0955 -280.0293 -280.0050 -279.9943 -279.9915 -279.9878 -279.9382 -279.9119 -279.8598 -279.7016 -261.1702 -261.1361 -200.0129 -199.9811 -199.7681 -199.7562 -199.7292 -199.7245 -34.2839 -33.0941 -31.6801 -28.7380 -28.2099 -28.0383 -27.2897 -26.8094 -26.2669 -25.5021 -24.4848 -24.2769 -23.9079 -23.8352 -23.4978 -23.1063 -22.4908 -21.5044 -20.7781 -20.1640 -19.9071 -19.4524 -19.2449 -18.6931 -18.4982 -18.2703 -17.7679 -17.2547 -17.0516 -16.6406 -16.5343 -16.2921 -16.2754 -16.0426 -15.9690 -15.7220 -15.3349 -15.0508 -15.0059 -14.8806 -14.7360 -14.5647 -14.3700 -14.2064 -14.0668 -14.0016 -13.8203 -13.6269 -13.4210 -13.2956 -13.2101 -12.9640 -12.8198 -12.7379 -12.6756 -12.5538 -12.3796 -12.2530 -12.1926 -12.1695 -11.9542 -11.7537 -11.7234 -11.4890 -11.4375 -10.9312 -10.6378 -9.7917 -9.5503 -9.4430 -9.2330 -8.6639 0.8059 1.0128 1.3808 1.5690 1.8367 2.1108 2.2703 2.5972 2.7017 3.0309 3.2158 3.3766 3.5600 3.6132 3.8600 3.9742 4.0585 4.2137 4.4555 4.5456 4.5811 4.6547 4.8340 4.8529 4.9900 5.0152 5.3254 5.5035 5.6061 5.7870 5.8303 5.9226 6.0497 6.0834 6.2068 6.3165 6.3566 6.5185 6.6056 6.8172 7.0197 7.1435 7.2751 7.4050 7.4562 7.5615 7.6610 7.7627 7.8148 7.9698 8.0330 8.1145 8.1596 8.2932 8.3535 8.4826 8.5023 8.5725 8.8915 8.9161 8.9825 9.0841 9.1887 9.3734 9.4438 9.5060 9.6561 9.7163 9.9605 10.0435 10.1093 10.1564 10.2464 10.2870 10.3929 10.4682 10.6870 10.7117 10.8991 11.0623 11.1302 11.2885 11.3499 11.4059 11.5308 11.6002 11.6725 11.7993 11.8648 11.9288 12.0108 12.0702 12.1198 12.1859 12.3052 12.3621 12.5336 12.5967 12.6548 12.7830 12.8175 12.9864 13.0352 13.1346 13.2749 13.3607 13.4468 13.5320 13.5689 13.7111 13.8224 13.8628 14.0367 14.0592 14.0696 14.2442 14.2980 14.3807 14.4416 14.4980 14.5573 14.6658 14.8293 14.8429 14.8843 14.9869 15.0362 15.2017 15.3086 15.3912 15.5770 15.7352 15.8105 15.8516 15.9658 16.1208 16.1669 16.2441 16.3610 16.4485 16.4875 16.6757 16.7286 16.8248 16.8428 17.0480 17.1743 17.1939 17.3771 17.4640 17.6072 17.8141 17.8653 18.0899 18.2667 18.4094 18.4980 18.6227 18.8939 19.0078 19.2384 19.4307 19.5582 19.6925 19.7457 19.9457 20.0879 20.2742 20.3236 20.4169 20.5860 20.7275 20.8064 20.9397 21.0214 21.2194 21.3140 21.3380 21.4703 21.5209 21.5899 21.6870 21.9026 21.9817 22.1885 22.2726 22.4854 22.5801 22.6726 22.8588 22.9559 23.0531 23.2853 23.3100 23.3371 23.4934 23.6743 23.8299 24.0316 24.0378 24.3465 24.3599 24.4082 24.5978 24.7511 24.9419 25.0504 25.1629 25.2237 25.5080 25.6094 25.6450 25.8733 26.2343 26.3209 26.4141 26.5705 26.7378 26.9191 27.0978 27.1937 27.4039 27.5503 27.6120 27.8763 28.0132 28.1466 28.2804 28.3279 28.4298 28.4828 28.6884 28.8322 28.9775 28.9960 29.3145 29.5139 29.5244 29.6052 29.8118 30.0823 30.1102 30.2728 30.3957 30.5709 30.6164 30.6460 30.9529 31.0259 31.1389 31.3014 31.4995 31.5851 31.8268 31.9503 32.1007 32.1765 32.2153 32.3280 32.6407 32.7465 32.8871 32.9074 33.1028 33.1315 33.3367 33.3915 33.5460 33.7497 33.8099 34.0814 34.1356 34.2401 34.3358 34.5636 34.8382 34.9178 35.0695 35.2437 35.4382 35.5084 35.6289 35.7928 35.8524 36.0630 36.0807 36.1966 36.3571 36.5048 36.6516 36.7733 36.9823 37.0885 37.2858 37.3083 37.5623 37.6828 37.7720 37.8604 38.1071 38.1718 38.2605 38.4403 38.5226 38.6276 38.7889 38.8411 38.9568 39.0968 39.2221 39.3208 39.3582 39.5680 39.6583 39.8610 39.9847 40.1530 40.2134 40.3819 40.5177 40.6447 40.9114 41.1917 41.2711 41.4086 41.4828 41.6172 41.8407 41.9421 42.0499 42.1957 42.3478 42.6317 42.7998 42.8730 42.9500 43.1186 43.2822 43.3735 43.5813 43.6394 43.7028 43.8510 43.9710 44.0794 44.2870 44.4641 44.6763 44.7622 44.8331 45.0104 45.2448 45.3293 45.4762 45.6461 45.8080 45.9330 46.1012 46.3201 46.3655 46.5180 46.5849 46.9388 47.0953 47.1861 47.2115 47.3169 47.5217 47.7633 47.9606 48.1242 48.1768 48.2513 48.4033 48.6628 48.7470 49.0431 49.1722 49.1838 49.4141 49.7550 49.8669 50.0767 50.1810 50.3962 50.4980 50.7274 50.8040 51.1104 51.3241 51.3745 51.5526 51.7393 51.9193 52.1185 52.1582 52.2434 52.5377 52.5924 52.7942 53.0558 53.2888 53.5206 53.7341 53.9788 54.0385 54.2238 54.4446 54.4822 54.8966 55.0447 55.4001 55.6331 55.8244 56.0864 56.2510 56.4116 56.5223 56.8392 56.9637 57.0384 57.1078 57.2420 57.5043 57.6754 57.7076 57.8658 57.9751 58.0730 58.2300 58.4278 58.5803 58.7579 58.8829 59.2549 59.5202 59.5351 59.7992 60.0285 60.1522 60.1791 60.3684 60.7403 60.8752 61.0591 61.2946 61.5042 61.6104 61.8141 62.1320 62.4850 62.8229 63.1773 63.3151 63.4737 63.5050 63.6669 63.9484 64.1959 64.3097 64.5969 64.8080 64.9192 65.1834 65.2555 65.2783 65.3992 65.6639 65.8153 65.9932 66.1977 66.3159 66.3826 66.5750 66.9496 67.1376 67.3509 67.6629 67.8078 67.9077 68.1105 68.1848 68.4366 68.6140 68.7012 68.8617 69.0187 69.4913 69.5460 69.8038 69.9810 70.2167 70.5726 71.0147 71.3355 71.5609 71.8442 72.0949 72.3031 72.6450 73.0259 73.3284 73.4222 73.6299 73.8660 74.0427 74.3537 74.4154 74.6960 74.8782 75.1483 75.2673 75.4602 75.6880 75.7196 75.9558 76.0922 76.5274 76.6104 76.6768 76.7728 76.8015 77.0344 77.2457 77.3705 77.5015 77.6946 77.8034 77.9830 78.2246 78.3194 78.5128 78.5690 78.6671 78.7911 78.8384 79.0611 79.1568 79.2317 79.4167 79.5861 79.6993 79.8973 80.0908 80.1338 80.2542 80.6076 80.7008 80.7435 80.9040 81.0048 81.2599 81.3919 81.6009 81.8431 81.8861 82.0501 82.1179 82.3409 82.4103 82.5950 82.7384 82.8082 82.9859 83.1359 83.2333 83.3489 83.5399 83.7340 83.9846 84.1241 84.2285 84.3626 84.4481 84.5564 84.7523 84.9087 84.9662 85.0985 85.1311 85.2865 85.5175 85.6307 85.7059 85.7839 85.8700 86.0313 86.0884 86.1842 86.3950 86.5302 86.6279 86.6516 86.8279 86.9268 87.1225 87.3323 87.4092 87.5497 87.7992 87.8359 88.0748 88.1575 88.3288 88.4179 88.4983 88.7092 88.8523 89.0105 89.1863 89.2655 89.3249 89.4130 89.5281 89.6419 89.6570 89.8013 90.1083 90.3151 90.3604 90.5881 90.6481 90.7303 90.8807 91.0048 91.0560 91.3362 91.4928 91.5466 91.6793 91.9700 92.0858 92.1555 92.3469 92.4522 92.6351 92.6871 92.8509 92.8839 92.9346 93.0735 93.2249 93.3494 93.4759 93.5381 93.6586 93.9030 94.0916 94.1933 94.2410 94.3250 94.5273 94.5473 94.8743 94.9082 94.9806 95.1039 95.2300 95.3131 95.4552 95.5549 95.7443 95.8368 95.9051 96.3767 96.4327 96.4812 96.6205 96.8027 96.8857 97.1027 97.2616 97.3511 97.4690 97.6993 97.7610 98.0349 98.1574 98.1982 98.4609 98.5975 98.6677 98.8700 98.9347 99.0504 99.2902 99.3754 99.6250 99.6915 99.8099 100.0398 100.1287 100.3847 100.9397 101.0121 101.2105 101.6380 101.7692 101.8136 101.9339 102.0353 102.2551 102.3761 102.5739 102.6297 102.9742 103.1656 103.3365 103.5097 103.7452 103.8364 104.0684 104.3070 104.6963 104.9409 105.0295 105.0757 105.1456 105.3169 105.4937 105.5926 105.6988 105.7589 105.9753 106.1546 106.2951 106.5480 106.6365 106.7338 106.8135 107.0444 107.1110 107.2080 107.4047 107.4435 107.6374 107.7694 108.2082 108.2552 108.6423 108.7454 108.8562 108.8777 109.3509 109.5010 109.6571 109.8619 110.0530 110.3058 110.3396 110.4513 110.5916 110.6484 110.7429 110.9801 111.2299 111.2920 111.4048 111.6542 111.7614 111.8574 111.9393 112.2147 112.3745 112.5089 112.7399 112.9765 113.1088 113.1733 113.4606 113.7270 113.9662 114.1951 114.3503 114.5524 114.6980 114.8491 115.0545 115.1207 115.3241 115.5273 115.6408 115.7682 115.8894 116.2068 116.2986 116.4191 116.5154 116.6711 116.7605 116.8969 116.9470 117.0856 117.3413 117.5609 117.6429 117.7755 117.8030 118.0893 118.2531 118.3620 118.4809 118.5690 118.6975 118.7238 118.9674 119.1702 119.3917 119.8283 119.9075 120.0114 120.1243 120.2762 120.4719 120.7566 120.7908 121.0000 121.3832 121.4016 121.5118 121.7405 121.8186 122.1444 122.5643 122.7547 122.9073 123.0465 123.2193 123.5449 123.6669 124.2881 124.7233 124.8461 125.0904 125.3735 125.5625 125.9943 126.3457 126.3815 126.5033 126.7295 127.2437 127.5393 127.7230 128.1128 128.2150 128.3830 128.6446 128.7356 129.0389 129.1179 129.2609 129.3763 129.5948 129.8193 130.0113 130.1516 130.3897 130.6039 130.7933 130.9385 131.4116 131.6108 131.7558 131.8103 132.1082 132.3508 132.4204 132.5146 132.5894 132.7728 132.8527 133.0183 133.9537 133.9728 134.2130 134.6365 134.8867 135.2741 135.5398 135.6355 135.9560 136.4245 137.0019 137.1550 137.5007 137.7847 137.9594 138.0916 138.4664 138.5549 138.9063 139.3168 139.5559 139.6607 140.0137 140.3060 140.5638 140.9152 141.3067 141.4328 141.7836 142.4888 142.9015 143.1324 143.4511 143.6238 143.8183 144.2261 144.2658 144.5105 144.5501 144.8477 145.1646 145.3899 145.5638 145.7722 146.0597 146.1150 146.4104 146.7244 146.8962 147.3700 147.7342 147.7383 148.0623 148.4427 148.5828 148.9450 149.1106 149.2362 149.2947 149.7281 150.1170 150.3453 150.5902 151.0274 151.3732 151.6115 151.8360 151.9214 152.4112 152.8743 153.3796 153.6132 154.3426 154.5203 155.1494 155.5422 155.7226 155.9513 156.0854 156.7577 157.0289 157.2527 157.4631 157.9690 158.3746 158.6779 159.0750 159.2265 159.6103 160.1973 160.7152 161.1854 161.5801 161.9607 162.2376 162.5189 163.2074 163.8342 164.5223 165.6693 167.1741 167.7750 169.1512 169.2983 172.2765 172.4485 172.7454 173.6390 175.1386 175.9122 177.3176 178.9709 179.1039 181.5195 182.2629 185.1598 186.4788 186.8635 187.5191 188.9183 189.9826 191.8318 192.3281 193.3724 196.3439 196.6018 198.9912 201.4964 205.0937 206.4630 206.9439 221.2400 221.6497 222.7922 223.2007 223.5594 224.1468 225.6185 226.2397 228.1879 229.5978 295.5875 295.8085 296.5723 297.1123 308.7516 314.0223 609.2301 619.3191 621.0039 625.1765 629.6547 630.8850 632.0603 632.4429 634.0399 634.4388 635.1932 635.5541 636.7450 636.9957 637.4408 639.4076 642.0340 643.3274 646.9739 649.9531 657.4194 658.3278 704.3999 710.4304 876.4583 1200.1631 1211.9898 1215.4035 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 -0.041394 -0.050387 -0.270710 -0.365536 -0.296261 0.000345 0.077354 0.018963 -0.069259 -0.245847 -0.268735 -0.167073 0.324971 0.028768 0.314934 0.046936 -0.254388 -0.181858 -0.150940 0.213496 -0.084475 -0.202134 0.219171 -0.189305 -0.171567 -0.090331 -0.089762 -0.157711 0.095322 0.088552 0.102969 0.088622 0.089362 0.104953 0.096962 0.076226 0.103209 0.122139 0.131536 0.105236 0.126366 0.128770 0.127223 0.129038 0.127031 0.133607 0.125610 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 17.0414 17.0504 8.2707 8.3655 8.2963 6.9997 5.9226 5.9810 6.0693 6.2458 6.2687 6.1671 5.6750 5.9712 5.6851 5.9531 6.2544 6.1819 6.1509 5.7865 6.0845 6.2021 5.7808 6.1893 6.1716 6.0903 6.0898 6.1577 0.9047 0.9114 0.8970 0.9114 0.9106 0.8950 0.9030 0.9238 0.8968 0.8779 0.8685 0.8948 0.8736 0.8712 0.8728 0.8710 0.8730 0.8664 0.8744 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 -0.0414 -0.0504 -0.2707 -0.3655 -0.2963 0.0003 0.0774 0.0190 -0.0693 -0.2458 -0.2687 -0.1671 0.3250 0.0288 0.3149 0.0469 -0.2544 -0.1819 -0.1509 0.2135 -0.0845 -0.2021 0.2192 -0.1893 -0.1716 -0.0903 -0.0898 -0.1577 0.0953 0.0886 0.1030 0.0886 0.0894 0.1050 0.0970 0.0762 0.1032 0.1221 0.1315 0.1052 0.1264 0.1288 0.1272 0.1290 0.1270 0.1336 0.1256 1.2794 1.2495 2.1228 2.1388 2.1181 3.1214 3.8125 3.8192 3.8328 3.9063 3.9150 3.8926 4.2524 4.2131 3.8428 3.6703 4.0199 3.9350 4.0282 3.8665 3.9577 4.0356 3.8764 4.0390 3.9797 3.9229 3.8776 3.9993 1.0432 1.0316 1.0216 1.0023 1.0010 0.9998 1.0051 1.0070 1.0303 1.0197 1.0233 1.0139 0.9997 1.0119 1.0119 1.0153 0.9988 1.0148 1.0014 1.2794 1.2495 2.1228 2.1388 2.1181 3.1214 3.8125 3.8192 3.8328 3.9063 3.9150 3.8926 4.2524 4.2131 3.8428 3.6703 4.0199 3.9350 4.0282 3.8665 3.9577 4.0356 3.8764 4.0390 3.9797 3.9229 3.8776 3.9993 1.0432 1.0316 1.0216 1.0023 1.0010 0.9998 1.0051 1.0070 1.0303 1.0197 1.0233 1.0139 0.9997 1.0119 1.0119 1.0153 0.9988 1.0148 1.0014 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 1.1800 1.1183 1.1294 0.8684 1.9552 1.0212 0.9117 3.0583 0.9534 0.8834 0.9605 0.9383 0.8601 1.0174 0.9861 1.0319 1.0151 0.9853 0.9900 0.9876 0.9964 0.9881 0.9885 1.8598 0.9495 0.8882 0.9354 1.0034 1.3508 1.4080 1.3804 0.9495 1.4388 0.9627 1.4007 1.4660 0.9756 0.9695 1.4379 1.4215 1.4244 0.9707 1.4098 0.9486 1.4372 0.9740 1.4366 0.9594 0.9789 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 -0.026760862 -2050.687844280405 6.03758 -7.11105 -1.07347 -14.97257 14.27861 -0.69397 -10.10141 10.61695 0.51555 1.37831 3.50338