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:-4.6065,-1.6857,.1237;-4.9824,-2.1023,-2.7049;1.7644,-1.9876,-.3458;.3301,-1.8384,1.3698;.9074,3.158,1.3456;5.0696,-2.1656,-.2525;-1.0037,-4.2578,-.1441;-1.7892,-2.9942,-.3378;-.3013,-3.0018,-.6229;-.8127,-4.761,1.266;-1.1213,-5.3734,-1.1549;-2.7344,-2.8154,-1.4475;.5877,-2.2196,.2607;-3.9419,-2.2726,-1.347;2.7205,-1.2039,.3667;2.5891,.2549,.0064;4.032,-1.7484,.009;1.8552,1.0847,.8408;3.1481,.7542,-1.1639;1.6741,2.42,.5025;2.9625,2.0867,-1.489;2.2259,2.9265,-.6678;1.0784,4.5133,1.4167;-.0401,5.3162,1.261;2.32,5.0716,1.6925;.0857,6.692,1.3865;2.4338,6.448,1.8051;1.3208,7.2629,1.6521;-2.0582,-2.4898,.5831;.0025,-3.0136,-1.6637;.1172,-5.3259,1.3525;-1.632,-5.4335,1.5246;-.7935,-3.9639,2.0048;-2.0136,-5.9705,-.9608;-.2564,-6.0349,-1.0897;-1.179,-5.0187,-2.1833;-2.4365,-3.1451,-2.4352;2.5901,-1.3332,1.445;1.4087,.7026,1.75;3.7326,.1148,-1.8128;3.3944,2.4822,-2.3983;2.0849,3.9635,-.9422;-.9993,4.8615,1.0517;3.1875,4.4372,1.8234;-.7883,7.3188,1.2694;3.3996,6.8847,2.0224;1.4161,8.3362,1.7453; 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 2672.6565816189 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 6.900e-06 Time for diagonalization 0.508 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.416 sec Total time needed 0.939 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:-4.6065,-1.6857,.1238;-4.9823,-2.1023,-2.7049;1.7644,-1.9876,-.3458;.3301,-1.8384,1.3698;.9074,3.158,1.3456;5.0696,-2.1656,-.2525;-1.0037,-4.2578,-.1441;-1.7892,-2.9942,-.3378;-.3013,-3.0018,-.6229;-.8127,-4.761,1.266;-1.1213,-5.3734,-1.1549;-2.7344,-2.8154,-1.4475;.5877,-2.2196,.2607;-3.9419,-2.2726,-1.347;2.7205,-1.2039,.3667;2.5891,.2549,.0064;4.032,-1.7484,.009;1.8552,1.0847,.8408;3.1482,.7542,-1.1639;1.6741,2.4199,.5025;2.9625,2.0867,-1.489;2.2259,2.9265,-.6678;1.0784,4.5133,1.4167;-.0401,5.3162,1.261;2.32,5.0716,1.6925;.0857,6.692,1.3865;2.4338,6.448,1.8051;1.3208,7.2629,1.6521;-2.0582,-2.4898,.5831;.0025,-3.0136,-1.6637;.1172,-5.3259,1.3525;-1.632,-5.4335,1.5246;-.7935,-3.9639,2.0048;-2.0136,-5.9705,-.9608;-.2564,-6.0349,-1.0897;-1.179,-5.0187,-2.1833;-2.4365,-3.1451,-2.4352;2.5901,-1.3332,1.445;1.4087,.7026,1.75;3.7326,.1148,-1.8128;3.3944,2.4822,-2.3983;2.0849,3.9635,-.9422;-.9993,4.8615,1.0517;3.1875,4.4372,1.8234;-.7883,7.3188,1.2694;3.3996,6.8847,2.0224;1.4161,8.3362,1.7453; 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:-4.6065,-1.6857,.1237;-4.9824,-2.1023,-2.7049;1.7644,-1.9876,-.3458;.3301,-1.8384,1.3698;.9074,3.158,1.3456;5.0696,-2.1656,-.2525;-1.0037,-4.2578,-.1441;-1.7892,-2.9942,-.3378;-.3013,-3.0018,-.6229;-.8127,-4.761,1.266;-1.1213,-5.3734,-1.1549;-2.7344,-2.8154,-1.4475;.5877,-2.2196,.2607;-3.9419,-2.2726,-1.347;2.7205,-1.2039,.3667;2.5891,.2549,.0064;4.032,-1.7484,.009;1.8552,1.0847,.8408;3.1481,.7542,-1.1639;1.6741,2.42,.5025;2.9625,2.0867,-1.489;2.2259,2.9265,-.6678;1.0784,4.5133,1.4167;-.0401,5.3162,1.261;2.32,5.0716,1.6925;.0857,6.692,1.3865;2.4338,6.448,1.8051;1.3208,7.2629,1.6521;-2.0582,-2.4898,.5831;.0025,-3.0136,-1.6637;.1172,-5.3259,1.3525;-1.632,-5.4335,1.5246;-.7935,-3.9639,2.0048;-2.0136,-5.9705,-.9608;-.2564,-6.0349,-1.0897;-1.179,-5.0187,-2.1833;-2.4365,-3.1451,-2.4352;2.5901,-1.3332,1.445;1.4087,.7026,1.75;3.7326,.1148,-1.8128;3.3944,2.4822,-2.3983;2.0849,3.9635,-.9422;-.9993,4.8615,1.0517;3.1875,4.4372,1.8234;-.7883,7.3188,1.2694;3.3996,6.8847,2.0224;1.4161,8.3362,1.7453; -2050.66219096 2672.65658162 -4723.31877258 -8120.66739016 3397.34861757 -4095.19152558 2044.52933462 2.00299964 108.000087469331 108.000087469331 216.000174938663 -151.870052891329 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 -2765.7086 -2765.6639 -525.3302 -524.7425 -523.4519 -392.7717 -283.7981 -282.9841 -282.9711 -281.8989 -281.6808 -280.9878 -280.9749 -280.6854 -280.6692 -280.6489 -280.5986 -280.2340 -280.1428 -280.1372 -280.0921 -280.0854 -280.0741 -280.0270 -279.9708 -279.9203 -279.8721 -279.6512 -260.9772 -260.9318 -199.8204 -199.7768 -199.5722 -199.5646 -199.5243 -199.5200 -34.2312 -33.1758 -31.6690 -28.5663 -28.2773 -27.9470 -27.3637 -26.8747 -26.0741 -25.5345 -24.4549 -24.3477 -23.9414 -23.8274 -23.3759 -23.1949 -22.4080 -21.4314 -20.8365 -20.2043 -19.9610 -19.5750 -19.2618 -18.7180 -18.4433 -18.3431 -17.5486 -17.1822 -17.1390 -16.6126 -16.4643 -16.3879 -16.2268 -16.0942 -15.9947 -15.5449 -15.3511 -15.1157 -15.0320 -14.8331 -14.5717 -14.4662 -14.2692 -14.1785 -14.1328 -14.0511 -13.8373 -13.5782 -13.3988 -13.2477 -13.1778 -13.1250 -12.9794 -12.7752 -12.7323 -12.4956 -12.4236 -12.2380 -12.1587 -12.0201 -11.8493 -11.7762 -11.6523 -11.4963 -11.2612 -10.9244 -10.5897 -9.8884 -9.6510 -9.5358 -9.0678 -8.6905 0.7922 1.2476 1.3037 1.5066 1.8113 1.9617 2.4797 2.6740 2.7586 2.9628 3.1770 3.4445 3.5917 3.7306 4.0570 4.1847 4.2502 4.3461 4.4207 4.5039 4.5890 4.6771 4.8431 4.9242 4.9782 5.0660 5.2088 5.3776 5.5871 5.7964 5.8112 5.8517 5.8895 5.9757 6.0263 6.3689 6.4019 6.5160 6.7180 6.8352 6.9835 7.2577 7.2821 7.4024 7.4219 7.5118 7.6062 7.7257 7.7714 7.8239 7.9342 8.0454 8.0937 8.1241 8.1566 8.4316 8.4944 8.5516 8.6318 8.7743 8.8981 9.0790 9.1599 9.2466 9.2984 9.4854 9.5725 9.6567 9.8288 9.8583 9.9349 9.9632 10.1182 10.2162 10.2385 10.4384 10.5856 10.7082 10.7299 10.9768 11.0213 11.2042 11.2218 11.3377 11.3645 11.3992 11.4781 11.5184 11.6893 11.6967 11.8038 11.9145 12.0220 12.1759 12.2278 12.3418 12.3934 12.4845 12.6282 12.6829 12.7311 12.7901 12.8747 12.9173 12.9525 13.0786 13.2282 13.3156 13.4164 13.4726 13.4874 13.5450 13.6191 13.7014 13.7825 13.8599 13.9144 14.0754 14.0886 14.2669 14.3485 14.4775 14.5778 14.7001 14.9156 14.9427 14.9711 15.1633 15.2162 15.3374 15.4057 15.4432 15.5198 15.6446 15.7352 15.8206 15.8567 15.9264 16.0369 16.2115 16.2475 16.3374 16.5178 16.5316 16.5738 16.7715 16.8748 16.9716 17.1269 17.3070 17.4795 17.6207 17.7533 17.8634 18.0658 18.2842 18.3781 18.4726 18.6219 18.7521 18.7839 18.9045 19.0690 19.1991 19.3562 19.4922 19.7531 19.8191 19.9704 20.0254 20.2345 20.2677 20.3708 20.4439 20.6095 20.6445 20.9102 21.0749 21.1320 21.1679 21.2794 21.4085 21.4500 21.4911 21.5959 21.7330 22.0703 22.0933 22.2611 22.5365 22.6500 22.7210 22.9243 23.1126 23.2251 23.3327 23.4473 23.5325 23.6491 23.8026 23.8417 23.9725 24.2118 24.2636 24.4524 24.5455 24.6710 24.8017 24.8535 25.0014 25.2460 25.5567 25.8019 25.8816 26.1055 26.3311 26.4220 26.5204 26.7922 26.8314 27.0026 27.2531 27.4706 27.5407 27.6548 27.7754 27.8661 28.1429 28.2223 28.3523 28.4363 28.5281 28.7438 28.8267 28.9653 29.0385 29.1497 29.2025 29.2914 29.5914 29.7270 29.7753 29.8860 29.9903 30.0978 30.2585 30.4854 30.5808 30.6634 30.8468 30.9360 31.2367 31.3393 31.5205 31.6356 31.7089 31.9060 31.9988 32.2091 32.2921 32.3240 32.4968 32.6148 32.8616 32.9876 33.0895 33.3401 33.5123 33.6136 33.8765 33.9100 34.0236 34.1937 34.3281 34.5777 34.7604 34.8483 35.0081 35.0618 35.1108 35.1351 35.3506 35.3710 35.6815 35.7274 35.9374 36.0995 36.2964 36.3396 36.4496 36.6295 36.7073 36.8245 36.9558 37.2684 37.3123 37.3635 37.5889 37.6238 37.8108 37.8958 37.9778 38.0701 38.2765 38.4088 38.4909 38.5123 38.7838 38.8414 38.9686 39.2027 39.3183 39.3984 39.5290 39.5961 39.8454 40.0216 40.1086 40.4339 40.4829 40.6812 40.7015 40.8003 40.9524 41.0994 41.3983 41.4562 41.5395 41.7100 41.9874 42.0463 42.1226 42.3592 42.3788 42.5755 42.7940 42.8458 42.9634 43.2418 43.2864 43.4303 43.5816 43.6794 43.7888 43.8402 43.9964 44.0268 44.1360 44.2984 44.4165 44.6468 44.6910 44.8692 45.1762 45.3773 45.4410 45.5432 45.6463 46.0075 46.0425 46.2870 46.4624 46.5678 46.6951 46.8629 47.0039 47.1441 47.2651 47.4420 47.6596 47.9289 47.9960 48.0810 48.2471 48.3899 48.5708 48.6474 49.0140 49.1919 49.2922 49.5383 49.8083 49.8928 50.0664 50.2237 50.4348 50.6363 50.6655 50.7593 50.8871 51.2102 51.3026 51.4746 51.5810 51.7105 51.9249 52.0552 52.2511 52.3178 52.4022 52.4815 52.5667 52.8342 53.0490 53.1816 53.3150 53.6760 53.9342 54.0697 54.4577 54.7571 55.0294 55.1473 55.3180 55.5349 55.5674 56.0303 56.1449 56.2443 56.4317 56.5793 56.8411 56.9596 57.1662 57.2782 57.4629 57.7134 58.0638 58.0771 58.1946 58.2388 58.6312 58.7157 58.7777 59.1136 59.2639 59.3481 59.4437 59.5815 59.8231 59.8890 60.1711 60.3982 60.5545 60.6777 61.1226 61.3687 61.5271 61.7016 61.8101 62.2623 62.3366 62.7010 62.9315 62.9688 63.0673 63.2358 63.3240 63.4661 63.7707 63.9620 64.1700 64.4199 64.6449 64.7500 64.8418 65.0995 65.3813 65.4358 65.6362 65.7533 65.8115 66.0206 66.2233 66.4639 66.8518 66.9913 67.1877 67.4471 67.5500 67.7381 67.8714 67.9464 68.3212 68.4840 68.7093 68.9130 69.3953 69.4255 69.8527 70.0642 70.5869 70.9345 71.2119 71.2625 71.7445 71.7976 71.9323 72.5430 72.7178 72.8682 72.9397 73.4030 73.5172 73.6447 74.0409 74.1420 74.1823 74.5704 74.6163 74.8124 74.8785 74.9746 75.1459 75.6479 75.7707 75.9742 76.2305 76.5418 76.6177 76.7998 76.8871 77.0423 77.1618 77.2799 77.3902 77.6947 77.8156 77.9401 78.0127 78.1592 78.2769 78.4461 78.6414 78.7842 78.9072 79.0893 79.1092 79.1995 79.3159 79.4001 79.5413 79.6233 79.7718 79.8682 80.1306 80.2754 80.4606 80.7907 80.8424 81.2393 81.3057 81.3749 81.6652 81.7667 81.8487 81.9698 82.1318 82.1722 82.2802 82.4070 82.6307 82.7370 82.8522 82.9872 83.1333 83.1672 83.2755 83.8363 83.9163 84.0589 84.2503 84.2668 84.4226 84.5407 84.5971 84.6476 84.8399 84.9863 85.0432 85.2234 85.3210 85.3800 85.4674 85.5240 85.6801 85.8201 85.8323 85.9163 86.0390 86.1688 86.4031 86.4819 86.7397 86.9895 87.2722 87.3346 87.5033 87.7070 87.7387 87.8560 88.0851 88.2237 88.3260 88.3818 88.4298 88.7144 88.7433 88.8363 88.8963 88.9722 89.1245 89.2463 89.3677 89.5154 89.5980 89.7415 89.8458 89.9264 90.0530 90.3712 90.6288 90.6665 90.7808 90.8875 91.0433 91.2747 91.2968 91.5444 91.6305 91.8429 92.0846 92.0963 92.2897 92.3647 92.5587 92.5915 92.6369 92.7834 92.9124 93.0829 93.1359 93.2828 93.3695 93.5233 93.5665 93.7671 93.8962 94.0373 94.1128 94.2281 94.3301 94.3844 94.6445 94.6668 94.9253 94.9961 95.1502 95.2685 95.3155 95.4224 95.5735 95.6021 96.0062 96.0252 96.2879 96.4482 96.6609 96.9151 96.9420 97.0976 97.1784 97.2394 97.4811 97.5621 97.7063 97.7395 97.8911 98.0274 98.2636 98.3517 98.4988 98.5233 98.6979 98.7532 98.8837 99.1479 99.4476 99.6680 99.8020 100.0035 100.0624 100.1931 100.4655 100.7623 100.9478 101.1184 101.2944 101.6334 101.9192 101.9404 102.2441 102.4336 102.5140 102.6940 102.9873 103.1888 103.4940 103.7707 103.9782 104.1008 104.2956 104.4776 104.6919 104.7344 104.8994 104.9454 105.1620 105.2518 105.3524 105.3888 105.4688 105.6285 105.7132 105.9025 106.0873 106.3087 106.3802 106.4531 106.5820 106.7735 107.1148 107.1590 107.2054 107.5351 107.6945 107.7880 107.9714 108.1369 108.3841 108.5254 108.8627 108.9656 109.1590 109.3475 109.5390 109.6626 109.9104 110.1716 110.2728 110.3999 110.4823 110.6428 110.7151 110.7793 110.9700 111.0016 111.1856 111.3290 111.5351 111.7559 111.9782 112.0716 112.5642 112.5842 112.7532 112.7772 112.9212 113.2539 113.4438 113.6113 113.8238 114.0550 114.1163 114.3093 114.4611 114.6166 114.8649 115.0551 115.2165 115.2854 115.4277 115.7290 115.9938 116.0981 116.3299 116.4055 116.4331 116.4780 116.6834 116.7521 116.9076 117.0538 117.2043 117.2741 117.5037 117.7215 117.8032 117.9686 118.1987 118.2463 118.3305 118.4331 118.5019 118.5993 118.7721 119.0558 119.2050 119.4596 119.6714 119.7857 120.0832 120.1638 120.2790 120.3688 120.5744 120.8360 120.9110 121.2475 121.5350 121.6135 121.8461 121.9167 122.2451 122.6151 123.0215 123.1786 123.3029 123.5968 123.6314 123.9982 124.0846 124.4221 125.1347 125.4263 125.6501 126.0156 126.1132 126.3678 126.5866 126.7525 127.0014 127.1873 127.7047 127.8593 128.1247 128.3972 128.5784 128.7073 128.9130 128.9531 129.3068 129.3513 129.4192 129.5970 129.9324 130.1474 130.2345 130.3697 130.6450 130.7545 130.8224 131.2042 131.4751 131.7458 131.8658 131.9415 132.2249 132.4874 132.6184 132.7954 133.0042 133.0250 133.9563 134.1129 134.3917 134.7931 134.8018 135.1179 135.5338 135.7592 135.8868 136.3158 136.4853 136.6309 137.3764 137.7553 138.0336 138.0978 138.2461 138.3378 138.5488 138.6994 139.0442 139.3463 139.5834 140.2739 140.8850 141.0831 141.4770 141.5765 141.6807 142.1125 142.7664 143.0718 143.4993 143.7753 143.9077 143.9894 144.0420 144.1438 144.4260 144.9173 145.0706 145.1943 145.4811 145.5583 145.9536 146.0364 146.3380 146.6406 147.0897 147.1508 147.3322 147.4982 147.9241 148.0817 148.1479 148.4543 148.7621 149.2480 149.3435 149.7243 150.0044 150.2770 150.4009 150.7262 151.1266 151.6529 152.0126 152.0913 152.2527 152.4649 153.2089 153.6307 154.2835 154.4166 154.6310 155.3779 155.5646 156.1975 156.4879 156.9926 157.0995 157.1891 157.3161 157.7506 158.4275 158.8670 159.1828 159.2306 159.4345 159.5178 160.3416 160.6173 161.3610 161.5355 161.7274 162.6457 163.3601 163.9254 164.6172 165.1247 167.1370 168.0540 168.7771 170.0484 172.0448 172.3648 172.8297 173.2096 173.9356 175.7228 177.4689 178.4698 179.3267 181.1929 182.4130 184.9410 185.4156 186.5268 187.2911 188.9453 189.8504 191.8915 192.3388 193.7565 195.8423 196.3475 198.6323 201.8065 204.6435 206.4965 206.6077 221.3083 221.6832 222.3649 222.9024 222.9229 223.5064 225.7487 225.9513 227.8948 229.3299 294.4737 294.7449 295.6830 297.1144 308.5500 313.3302 608.7705 618.1352 619.8618 625.4863 628.8459 631.0187 631.5829 632.6635 633.9477 634.3150 635.0425 635.1795 636.5492 636.7703 637.4494 639.0641 641.7661 642.3169 646.9214 650.1056 657.2031 658.0575 702.1388 708.0804 876.6887 1200.1210 1212.3435 1215.1217 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 -0.038859 -0.045127 -0.257101 -0.387134 -0.292555 -0.004499 0.065159 0.043229 -0.099356 -0.249838 -0.241555 -0.203734 0.372471 0.052708 0.312106 -0.000910 -0.252507 -0.158048 -0.165518 0.200006 -0.119051 -0.148343 0.219305 -0.189508 -0.157205 -0.101343 -0.117878 -0.133071 0.088136 0.080038 0.090163 0.090908 0.101865 0.099521 0.096172 0.072635 0.097035 0.121007 0.126032 0.120712 0.130215 0.134568 0.128967 0.135374 0.127540 0.129658 0.127616 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 17.0389 17.0451 8.2571 8.3871 8.2926 7.0045 5.9348 5.9568 6.0994 6.2498 6.2416 6.2037 5.6275 5.9473 5.6879 6.0009 6.2525 6.1580 6.1655 5.8000 6.1191 6.1483 5.7807 6.1895 6.1572 6.1013 6.1179 6.1331 0.9119 0.9200 0.9098 0.9091 0.8981 0.9005 0.9038 0.9274 0.9030 0.8790 0.8740 0.8793 0.8698 0.8654 0.8710 0.8646 0.8725 0.8703 0.8724 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 -0.0389 -0.0451 -0.2571 -0.3871 -0.2926 -0.0045 0.0652 0.0432 -0.0994 -0.2498 -0.2416 -0.2037 0.3725 0.0527 0.3121 -0.0009 -0.2525 -0.1580 -0.1655 0.2000 -0.1191 -0.1483 0.2193 -0.1895 -0.1572 -0.1013 -0.1179 -0.1331 0.0881 0.0800 0.0902 0.0909 0.1019 0.0995 0.0962 0.0726 0.0970 0.1210 0.1260 0.1207 0.1302 0.1346 0.1290 0.1354 0.1275 0.1297 0.1276 1.2885 1.2602 2.1302 2.1126 2.1118 3.1159 3.7630 3.8166 3.8739 3.9156 3.9105 3.9258 4.2302 4.2487 3.8108 3.7199 4.0208 4.0141 4.0404 3.9114 3.9739 3.9401 3.8208 4.0339 3.9596 3.9366 3.9434 3.9518 1.0505 1.0359 1.0015 1.0019 1.0198 1.0027 1.0043 1.0100 1.0300 1.0236 1.0329 1.0174 1.0015 1.0042 1.0120 1.0020 0.9990 0.9993 0.9999 1.2885 1.2602 2.1302 2.1126 2.1118 3.1159 3.7630 3.8166 3.8739 3.9156 3.9105 3.9258 4.2302 4.2487 3.8108 3.7199 4.0208 4.0141 4.0404 3.9114 3.9739 3.9401 3.8208 4.0339 3.9596 3.9366 3.9434 3.9518 1.0505 1.0359 1.0015 1.0019 1.0198 1.0027 1.0043 1.0100 1.0300 1.0236 1.0329 1.0174 1.0015 1.0042 1.0120 1.0020 0.9990 0.9993 0.9999 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1973 1.1538 1.1491 0.8553 1.9209 1.0099 0.9224 3.0578 0.9023 0.8559 0.9671 0.9587 0.9182 1.0226 0.9861 1.0514 1.0177 0.9913 0.9882 0.9821 0.9940 0.9883 0.9853 1.8709 0.9552 0.9358 0.9097 1.0047 1.3951 1.3840 1.4367 0.9548 1.4758 0.9620 1.3741 1.4251 0.9709 0.9585 1.4312 1.3800 1.4331 0.9700 1.4340 0.9665 1.4299 0.9736 1.4286 0.9714 0.9759 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 -0.022485477 -2050.684676440023 21.69804 -22.16855 -0.47051 2.87503 -2.32957 0.54546 6.57181 -6.89204 -0.32023 0.78832 2.00374