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:-2.2607,5.3756,1.2943;-2.2836,6.7966,-1.2145;1.6784,1.0052,-.721;.3115,1.0346,1.0532;1.0804,-3.8927,1.8462;4.9801,1.0987,-.8572;-1.8682,1.5924,-1.126;-1.4807,2.875,-.4525;-.4036,1.9735,-1.029;-2.4377,.4897,-.2663;-2.4646,1.6206,-2.5138;-1.7116,4.1907,-1.0621;.5232,1.2978,-.0991;-2.0419,5.2978,-.4073;2.6592,.3002,.0374;2.4774,-1.1908,-.1053;3.9553,.75,-.474;1.8617,-1.895,.9182;2.8643,-1.842,-1.2709;1.646,-3.2611,.7844;2.645,-3.2031,-1.392;2.0404,-3.9223,-.3721;.3478,-5.0309,1.6517;-.7133,-5.0639,.7556;.66,-6.1424,2.4182;-1.4568,-6.226,.6272;-.0986,-7.2964,2.2872;-1.1534,-7.3459,1.389;-1.543,2.8489,.6293;.0517,2.2921,-1.9597;-3.5239,.5852,-.227;-2.0657,.5082,.7542;-2.2072,-.4891,-.6909;-3.5298,1.8525,-2.4681;-2.3565,.6444,-2.9885;-1.9946,2.3506,-3.1718;-1.599,4.2851,-2.1349;2.6009,.5834,1.0925;1.5395,-1.3922,1.821;3.3475,-1.2977,-2.0721;2.9573,-3.72,-2.2894;1.8882,-4.9883,-.4785;-.9598,-4.1883,.1683;1.4867,-6.0962,3.1147;-2.2843,-6.2521,-.0693;.1437,-8.1624,2.8886;-1.7398,-8.2487,1.2863; 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 2671.6004442548 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 6.831e-06 Time for diagonalization 0.547 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.538 sec Total time needed 1.098 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:-2.2607,5.3756,1.2943;-2.2836,6.7966,-1.2145;1.6784,1.0052,-.721;.3115,1.0346,1.0532;1.0804,-3.8927,1.8462;4.9801,1.0987,-.8572;-1.8682,1.5924,-1.126;-1.4807,2.875,-.4525;-.4036,1.9735,-1.029;-2.4377,.4897,-.2663;-2.4646,1.6206,-2.5138;-1.7116,4.1907,-1.0621;.5232,1.2978,-.0991;-2.0419,5.2978,-.4073;2.6592,.3002,.0374;2.4774,-1.1908,-.1053;3.9553,.75,-.474;1.8617,-1.895,.9182;2.8643,-1.842,-1.2709;1.646,-3.2611,.7844;2.645,-3.2031,-1.392;2.0404,-3.9223,-.3721;.3478,-5.0309,1.6517;-.7133,-5.0639,.7556;.66,-6.1424,2.4182;-1.4568,-6.226,.6272;-.0986,-7.2964,2.2872;-1.1534,-7.3459,1.389;-1.543,2.8489,.6293;.0517,2.2921,-1.9597;-3.5239,.5852,-.227;-2.0657,.5082,.7542;-2.2072,-.4891,-.6909;-3.5298,1.8525,-2.4681;-2.3565,.6444,-2.9885;-1.9946,2.3506,-3.1718;-1.599,4.2851,-2.1349;2.6009,.5834,1.0925;1.5395,-1.3922,1.821;3.3475,-1.2977,-2.0721;2.9573,-3.72,-2.2894;1.8882,-4.9883,-.4785;-.9598,-4.1883,.1683;1.4867,-6.0962,3.1147;-2.2843,-6.2521,-.0693;.1437,-8.1624,2.8886;-1.7398,-8.2487,1.2863; 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:-2.2607,5.3756,1.2943;-2.2836,6.7966,-1.2145;1.6784,1.0052,-.721;.3115,1.0346,1.0532;1.0804,-3.8927,1.8462;4.9801,1.0987,-.8572;-1.8682,1.5924,-1.126;-1.4807,2.875,-.4525;-.4036,1.9735,-1.029;-2.4377,.4897,-.2663;-2.4646,1.6206,-2.5138;-1.7116,4.1907,-1.0621;.5232,1.2978,-.0991;-2.0419,5.2978,-.4073;2.6592,.3002,.0374;2.4774,-1.1908,-.1053;3.9553,.75,-.474;1.8617,-1.895,.9182;2.8643,-1.842,-1.2709;1.646,-3.2611,.7844;2.645,-3.2031,-1.392;2.0404,-3.9223,-.3721;.3478,-5.0309,1.6517;-.7133,-5.0639,.7556;.66,-6.1424,2.4182;-1.4568,-6.226,.6272;-.0986,-7.2964,2.2872;-1.1534,-7.3459,1.389;-1.543,2.8489,.6293;.0517,2.2921,-1.9597;-3.5239,.5852,-.227;-2.0657,.5082,.7542;-2.2072,-.4891,-.6909;-3.5298,1.8525,-2.4681;-2.3565,.6444,-2.9885;-1.9946,2.3506,-3.1718;-1.599,4.2851,-2.1349;2.6009,.5834,1.0925;1.5395,-1.3922,1.821;3.3475,-1.2977,-2.0721;2.9573,-3.72,-2.2894;1.8882,-4.9883,-.4785;-.9598,-4.1883,.1683;1.4867,-6.0962,3.1147;-2.2843,-6.2521,-.0693;.1437,-8.1624,2.8886;-1.7398,-8.2487,1.2863; -2050.66186851 2671.60044425 -4722.26231276 -8118.34017724 3396.07786448 -4095.18441568 2044.52254717 2.00300281 108.000076736256 108.000076736256 216.000153472512 -151.868784620774 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 -2765.7155 -2765.6648 -525.3430 -524.7869 -523.4598 -392.7564 -283.8082 -282.9969 -282.9870 -281.9355 -281.7359 -281.0083 -280.9711 -280.7145 -280.7060 -280.6970 -280.6124 -280.2737 -280.1887 -280.1804 -280.1482 -280.1268 -280.1227 -280.0827 -280.0197 -279.9691 -279.9286 -279.6787 -260.9839 -260.9325 -199.8272 -199.7777 -199.5787 -199.5713 -199.5250 -199.5204 -34.2515 -33.2171 -31.6790 -28.5736 -28.2631 -27.9690 -27.3993 -26.9215 -26.0765 -25.5552 -24.4955 -24.3711 -23.9909 -23.8604 -23.4131 -23.2319 -22.4453 -21.4598 -20.8720 -20.2498 -20.0081 -19.6123 -19.3239 -18.6931 -18.4704 -18.3202 -17.5818 -17.2262 -17.2036 -16.6153 -16.5119 -16.4281 -16.2448 -16.1410 -16.0222 -15.6632 -15.3323 -15.1249 -15.0292 -14.8190 -14.6429 -14.5897 -14.3402 -14.2657 -14.0751 -14.0198 -13.8758 -13.5790 -13.4712 -13.2495 -13.2213 -13.1576 -12.9664 -12.8632 -12.7680 -12.5034 -12.4066 -12.2449 -12.2034 -12.0266 -11.9222 -11.7888 -11.6889 -11.4863 -11.2659 -10.8804 -10.6838 -9.9169 -9.6957 -9.5856 -9.0796 -8.7274 0.7663 1.1543 1.2417 1.4637 1.7758 2.0614 2.4763 2.6430 2.6676 2.9198 2.9787 3.4325 3.5271 3.7019 3.7859 4.0619 4.2954 4.3177 4.3612 4.4970 4.6182 4.6820 4.7946 4.8700 4.9688 5.0920 5.2392 5.3798 5.5307 5.6779 5.7370 5.8048 5.8389 5.9034 6.0978 6.3600 6.4500 6.5930 6.7230 6.7912 6.9989 7.0823 7.2644 7.3440 7.4287 7.5222 7.6585 7.6959 7.7782 7.8197 7.9163 7.9458 8.0317 8.1441 8.2314 8.4519 8.4885 8.5136 8.5656 8.7728 8.7939 9.0850 9.1132 9.2085 9.3177 9.4467 9.5614 9.6077 9.6955 9.8669 9.9296 9.9811 10.0281 10.2911 10.3913 10.5083 10.6096 10.7030 10.8486 10.8679 10.9591 11.0847 11.1617 11.2374 11.3862 11.4507 11.5054 11.6351 11.6504 11.6989 11.8435 11.9020 11.9110 12.0090 12.1725 12.2189 12.3565 12.4523 12.4835 12.5715 12.6880 12.7528 12.8155 12.8771 13.0212 13.0280 13.1705 13.2654 13.2737 13.4067 13.4880 13.5830 13.6867 13.7699 13.8272 13.9048 14.0134 14.1502 14.2251 14.2650 14.3379 14.3889 14.5688 14.7448 14.8294 14.9325 15.0563 15.0892 15.1173 15.1949 15.3632 15.5043 15.5587 15.6769 15.7813 15.8459 15.9286 15.9616 16.0675 16.1722 16.2913 16.4093 16.4776 16.5512 16.6643 16.8463 16.9188 17.1269 17.2005 17.3402 17.5480 17.7206 17.7240 17.9506 18.1010 18.1426 18.3492 18.4087 18.5903 18.7309 18.8960 19.0188 19.1588 19.2817 19.3371 19.4377 19.7128 19.7857 19.8510 20.0504 20.1661 20.3162 20.3426 20.4151 20.5174 20.7034 20.7918 20.9131 20.9887 21.1792 21.3507 21.3662 21.5507 21.6435 21.7329 21.9420 22.0107 22.0926 22.3022 22.5804 22.6980 22.7354 22.9151 23.0185 23.1547 23.2828 23.4136 23.4322 23.5864 23.7188 23.8229 23.9469 24.1262 24.2244 24.3461 24.4553 24.5756 24.8258 24.9242 24.9846 25.4372 25.6808 25.7326 25.9588 26.2831 26.3237 26.5647 26.6611 26.7061 26.8743 27.0980 27.1521 27.2816 27.3361 27.4226 27.7238 27.8226 28.0072 28.0786 28.2930 28.3938 28.4798 28.5851 28.8480 28.9537 28.9803 29.1244 29.1932 29.3692 29.5550 29.6413 29.7948 29.9662 30.0684 30.1103 30.2904 30.3563 30.4153 30.6870 30.7959 31.1606 31.2532 31.3228 31.4410 31.5496 31.6859 31.8871 32.0112 32.1728 32.3196 32.4791 32.6036 32.6534 32.7841 32.9894 33.0422 33.2530 33.3957 33.6362 33.8181 33.8855 34.0820 34.1546 34.3988 34.5179 34.5792 34.6939 34.7891 34.9765 35.0202 35.2306 35.4661 35.6258 35.7106 35.7453 36.0255 36.0714 36.1910 36.2256 36.4003 36.5335 36.6697 36.7520 37.0038 37.2926 37.3615 37.4405 37.5197 37.7332 37.8355 37.9320 38.0341 38.0519 38.1949 38.4069 38.4893 38.6664 38.7058 38.8128 38.9936 39.1174 39.1243 39.3166 39.5890 39.6871 39.7529 40.0868 40.2357 40.2941 40.4095 40.6536 40.7213 40.9413 41.0357 41.2252 41.3114 41.4065 41.6093 41.6673 41.7829 41.9737 42.1333 42.2566 42.3602 42.6764 42.7791 42.8893 42.9863 43.2129 43.2847 43.4020 43.5105 43.6976 43.7385 43.8481 44.0409 44.1717 44.2494 44.3314 44.4241 44.5793 44.7128 45.0603 45.2919 45.3424 45.4074 45.5553 45.7625 45.8387 46.0427 46.1520 46.2984 46.4170 46.7035 46.8658 46.9900 47.1799 47.2397 47.6020 47.6742 47.7550 47.8707 48.1706 48.1905 48.3000 48.4883 48.7771 48.9178 49.1473 49.4297 49.4823 49.8373 49.8704 50.0861 50.2854 50.5182 50.6415 50.6992 50.8846 51.0613 51.0915 51.1868 51.4243 51.4809 51.5744 51.9440 52.1235 52.3031 52.3564 52.4040 52.5157 52.6804 52.7776 53.0074 53.0944 53.3800 53.5266 53.9368 54.1458 54.2299 54.8294 54.9680 55.1857 55.3180 55.5941 55.7371 55.8929 56.0715 56.1738 56.4822 56.5911 56.8744 56.9309 57.1120 57.3315 57.4551 57.5487 58.0041 58.1426 58.1607 58.4644 58.6099 58.6316 58.8498 59.0601 59.2843 59.3276 59.4642 59.5354 59.7315 59.9229 60.1846 60.3157 60.4540 60.6282 61.2140 61.2277 61.4672 61.6915 61.8924 62.0603 62.3077 62.8089 62.9452 63.1273 63.2550 63.3180 63.4493 63.6768 63.7442 63.8898 64.0210 64.3673 64.5705 64.7061 64.7446 65.1424 65.3360 65.4424 65.5883 65.8122 65.8481 66.0923 66.3333 66.5622 66.8705 67.1379 67.1629 67.3700 67.5101 67.6281 67.8051 68.0086 68.4594 68.5362 68.6186 68.7621 69.1856 69.3374 69.6157 70.1123 70.3515 70.8606 71.0805 71.1852 71.7598 71.7726 71.9417 72.4181 72.6151 72.8051 72.9955 73.3442 73.4734 73.6637 74.0516 74.2016 74.3337 74.4151 74.5002 74.6218 74.9389 75.0213 75.3040 75.3706 75.7023 75.8844 76.2452 76.3499 76.6406 76.8232 76.8613 76.9055 77.2623 77.3265 77.5128 77.6426 77.7926 77.8883 77.9953 78.1406 78.3217 78.4558 78.8285 78.8929 78.9661 79.0887 79.1235 79.3001 79.3620 79.4408 79.5483 79.6223 79.6681 79.8608 80.1216 80.2655 80.4870 80.7392 80.9220 81.1785 81.1948 81.3094 81.4457 81.6689 81.7705 81.8345 81.8791 82.1753 82.2945 82.4225 82.5579 82.6581 82.8353 82.8770 83.1260 83.1796 83.2706 83.5669 83.6772 83.8740 84.1340 84.1908 84.4082 84.5138 84.6738 84.7983 84.8393 85.0030 85.0616 85.2128 85.3245 85.3690 85.3821 85.4786 85.5448 85.6671 85.8866 85.9449 86.0704 86.1771 86.3180 86.5228 86.6319 86.9049 87.0465 87.4048 87.4802 87.7006 87.9082 88.0155 88.0450 88.1266 88.2110 88.3272 88.4049 88.5607 88.6472 88.7614 88.9026 88.9298 88.9928 89.2724 89.5367 89.5895 89.6241 89.7899 89.8818 89.9389 90.1835 90.2760 90.3717 90.5074 90.7319 90.9112 90.9812 91.1653 91.2689 91.3650 91.6683 91.9362 92.1272 92.1319 92.2963 92.3666 92.4432 92.5004 92.6168 92.7822 92.8125 92.8970 93.1719 93.2881 93.4453 93.4820 93.5985 93.6577 93.9243 93.9802 94.2191 94.3032 94.3729 94.4528 94.5163 94.7090 94.8473 94.9771 95.0644 95.0851 95.2891 95.4109 95.5808 95.7525 95.8327 96.1690 96.2258 96.4335 96.6321 96.7209 96.8851 96.9162 97.1627 97.2168 97.2796 97.5820 97.7944 97.9606 98.0933 98.1133 98.2405 98.3013 98.3414 98.5107 98.5527 98.6442 98.8682 99.2025 99.3363 99.5823 99.7041 100.1561 100.2166 100.3880 100.4508 100.7355 100.8286 101.1335 101.3672 101.3842 101.6388 102.1048 102.2999 102.3889 102.5498 102.7214 102.8208 102.9213 103.3432 103.7432 103.8664 104.0791 104.2285 104.3858 104.5515 104.7346 104.8654 105.1356 105.2176 105.2540 105.3296 105.3639 105.3985 105.5169 105.8466 106.0004 106.1140 106.2462 106.3567 106.4464 106.6416 106.8115 106.9448 107.1694 107.3749 107.4370 107.5883 107.8303 107.9549 108.0737 108.2098 108.4702 108.7960 109.0331 109.1688 109.3215 109.4042 109.5261 109.8405 109.9566 110.3019 110.4311 110.4931 110.6189 110.6803 110.8043 110.9471 111.0277 111.2174 111.2982 111.4922 111.6148 111.8310 112.0547 112.3525 112.5166 112.6965 112.7224 113.0667 113.2205 113.3340 113.4556 113.7998 113.9550 114.0557 114.2597 114.3668 114.4778 115.0509 115.1550 115.3567 115.3960 115.4678 115.6090 115.7750 115.8863 116.1010 116.2740 116.3904 116.5030 116.5840 116.8995 116.9739 117.1079 117.3660 117.5244 117.6047 117.7564 117.8783 117.9493 117.9849 118.0896 118.2790 118.3879 118.5234 118.5843 118.6348 118.9125 119.2710 119.5814 119.6701 119.8265 120.0126 120.0886 120.1864 120.3202 120.6320 120.7779 121.1070 121.2951 121.5555 121.6269 121.7631 121.9647 122.2406 122.4177 123.0625 123.1307 123.3004 123.4033 123.5230 123.8162 124.0385 124.1657 125.0875 125.2365 125.6102 125.8481 126.0249 126.3293 126.4539 126.8036 127.0479 127.2486 127.5821 127.8803 128.1339 128.2614 128.4194 128.6677 128.8536 128.9112 129.2731 129.3299 129.5283 129.6517 130.0288 130.1471 130.3167 130.4097 130.5918 130.7336 130.7866 131.1246 131.4547 131.7253 131.9285 131.9622 132.0994 132.4016 132.6061 132.8392 133.0178 133.2655 133.9139 134.2154 134.3542 134.7186 134.8510 135.1352 135.4551 135.6707 135.7586 136.2245 136.4394 136.7710 137.2488 137.7461 137.8173 138.0420 138.1623 138.2730 138.6301 138.8187 138.9099 139.2350 139.3321 140.3322 140.8553 140.8878 141.1861 141.4802 141.8040 142.2309 142.7610 142.8384 143.7352 143.8437 143.9247 144.0229 144.0960 144.3293 144.3967 144.7478 144.9252 145.0742 145.3593 145.5910 145.8450 146.0128 146.2187 146.6650 146.9017 147.1636 147.1871 147.5291 147.9483 148.0361 148.1157 148.6688 148.7931 149.1856 149.3004 149.7347 150.0467 150.1735 150.4050 150.8128 151.2452 151.6549 151.9198 152.0440 152.1678 152.6152 153.1968 153.5541 154.3224 154.4700 154.5772 155.4959 155.5951 156.2114 156.5280 156.7561 156.9791 157.2491 157.3165 157.6577 158.3890 158.8987 159.1517 159.1912 159.3539 159.6113 160.3138 160.6753 161.4085 161.6697 161.7074 162.5986 163.5213 163.8689 164.5349 165.0899 167.1346 168.0761 168.7224 170.0430 172.1785 172.5657 172.6334 173.0099 173.7321 175.7285 177.4017 178.5905 179.3270 181.0873 182.3086 184.9661 185.5895 186.5324 187.2281 189.1339 189.8284 191.8898 192.4828 193.5296 195.7935 196.2435 198.6947 201.7538 204.6928 206.4801 206.5150 221.2938 221.6351 222.3587 222.8798 222.9277 223.4875 225.7250 225.9647 227.9055 229.3109 294.4638 294.7378 295.6876 297.1189 308.5441 313.3201 608.9245 618.0155 620.0258 625.1316 628.7889 630.9287 631.5120 632.5767 633.8494 634.2321 635.0697 635.1076 636.5700 636.7015 637.4360 639.2665 641.6954 642.5845 647.0054 650.0553 657.1224 658.0114 702.1125 708.1060 876.6896 1200.3023 1212.5837 1214.9895 -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 -0.037883 -0.043702 -0.257538 -0.385854 -0.293889 -0.002756 0.067110 0.039689 -0.094736 -0.250493 -0.249031 -0.202074 0.369677 0.052795 0.312962 -0.001970 -0.256092 -0.157691 -0.164435 0.201017 -0.122279 -0.143490 0.218451 -0.153432 -0.189022 -0.118941 -0.100986 -0.132480 0.087827 0.082997 0.090778 0.104906 0.085854 0.100708 0.093533 0.075496 0.096696 0.122541 0.123483 0.121701 0.131696 0.134277 0.133499 0.127500 0.127630 0.128118 0.127833 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 17.0379 17.0437 8.2575 8.3859 8.2939 7.0028 5.9329 5.9603 6.0947 6.2505 6.2490 6.2021 5.6303 5.9472 5.6870 6.0020 6.2561 6.1577 6.1644 5.7990 6.1223 6.1435 5.7815 6.1534 6.1890 6.1189 6.1010 6.1325 0.9122 0.9170 0.9092 0.8951 0.9141 0.8993 0.9065 0.9245 0.9033 0.8775 0.8765 0.8783 0.8683 0.8657 0.8665 0.8725 0.8724 0.8719 0.8722 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 -0.0379 -0.0437 -0.2575 -0.3859 -0.2939 -0.0028 0.0671 0.0397 -0.0947 -0.2505 -0.2490 -0.2021 0.3697 0.0528 0.3130 -0.0020 -0.2561 -0.1577 -0.1644 0.2010 -0.1223 -0.1435 0.2185 -0.1534 -0.1890 -0.1189 -0.1010 -0.1325 0.0878 0.0830 0.0908 0.1049 0.0859 0.1007 0.0935 0.0755 0.0967 0.1225 0.1235 0.1217 0.1317 0.1343 0.1335 0.1275 0.1276 0.1281 0.1278 1.2895 1.2611 2.1338 2.1146 2.1088 3.1158 3.7563 3.8318 3.8722 3.9161 3.9111 3.9249 4.2248 4.2546 3.8249 3.7004 4.0245 4.0205 4.0384 3.9052 3.9709 3.9329 3.8245 3.9553 4.0323 3.9444 3.9378 3.9538 1.0497 1.0348 1.0017 1.0207 1.0020 1.0019 1.0040 1.0103 1.0317 1.0204 1.0326 1.0163 1.0010 1.0044 1.0019 1.0125 0.9999 0.9988 0.9998 1.2895 1.2611 2.1338 2.1146 2.1088 3.1158 3.7563 3.8318 3.8722 3.9161 3.9111 3.9249 4.2248 4.2546 3.8249 3.7004 4.0245 4.0205 4.0384 3.9052 3.9709 3.9329 3.8245 3.9553 4.0323 3.9444 3.9378 3.9538 1.0497 1.0348 1.0017 1.0207 1.0020 1.0019 1.0040 1.0103 1.0317 1.0204 1.0326 1.0163 1.0010 1.0044 1.0019 1.0125 0.9999 0.9988 0.9998 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 1.1978 1.1551 1.1458 0.8612 1.9211 1.0054 0.9242 3.0578 0.9144 0.8644 0.9619 0.9524 0.9029 1.0275 0.9873 1.0484 1.0151 0.9891 0.9837 0.9911 0.9943 0.9880 0.9879 1.8718 0.9513 0.9295 0.9152 1.0028 1.3942 1.3815 1.4378 0.9579 1.4766 0.9640 1.3711 1.4219 0.9703 0.9602 1.3808 1.4305 1.4324 0.9653 1.4323 0.9716 1.4292 0.9724 1.4314 0.9733 0.9758 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 -0.022852337 -2050.684720845782 -3.67334 2.23330 -1.44004 -43.58295 41.92091 -1.66203 -7.27251 6.59262 -0.67989 2.30181 5.85074