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:-2.9846,3.7524,.756;-3.3133,6.3545,-.4491;.3651,1.0123,.9686;-.8809,.3108,-.7513;2.0309,-4.4214,-.8119;1.1174,-.2525,3.942;.2952,2.9695,-1.9954;-1.1557,3.1151,-1.6716;-.2177,2.6083,-.6084;.726,1.8931,-2.9611;1.151,4.212,-2.0577;-1.7855,4.4473,-1.5376;-.3119,1.1993,-.1817;-2.5868,4.8011,-.5419;.4731,-.3295,1.411;1.5192,-1.0995,.637;.8357,-.2605,2.8287;1.2579,-2.4108,.2749;2.731,-.5031,.3158;2.2271,-3.1411,-.4034;3.6787,-1.2343,-.3824;3.4385,-2.5511,-.7381;1.1892,-5.2349,-.1015;1.3608,-5.4339,1.2627;.1863,-5.8956,-.7932;.5108,-6.2988,1.9333;-.6509,-6.7673,-.1117;-.4971,-6.9675,1.2516;-1.803,2.3505,-2.095;.0601,3.3001,.1784;.069,1.027,-2.9547;1.7359,1.5476,-2.7338;.7358,2.2945,-3.9758;1.1017,4.6645,-3.0502;2.1953,3.9664,-1.8602;.8463,4.9674,-1.3329;-1.6093,5.1779,-2.3187;-.4917,-.8423,1.3353;.3002,-2.8574,.5125;2.9378,.518,.6073;4.6256,-.7793,-.6404;4.181,-3.1268,-1.2746;2.1515,-4.9209,1.796;.0702,-5.7283,-1.8561;.6428,-6.454,2.996;-1.4323,-7.2857,-.6518;-1.1554,-7.6431,1.7807; 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 2730.2024779257 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 6.983e-06 Time for diagonalization 0.572 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.545 sec Total time needed 1.130 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:-2.9846,3.7524,.756;-3.3133,6.3545,-.4491;.3651,1.0123,.9686;-.8809,.3108,-.7513;2.0309,-4.4214,-.8119;1.1174,-.2525,3.942;.2952,2.9695,-1.9954;-1.1557,3.1151,-1.6716;-.2177,2.6083,-.6084;.726,1.8931,-2.9611;1.151,4.212,-2.0577;-1.7855,4.4473,-1.5376;-.3119,1.1993,-.1817;-2.5868,4.8011,-.5419;.4731,-.3295,1.411;1.5192,-1.0995,.637;.8357,-.2605,2.8287;1.2579,-2.4108,.2749;2.731,-.5031,.3158;2.2271,-3.1411,-.4034;3.6787,-1.2343,-.3824;3.4385,-2.5511,-.7381;1.1892,-5.2349,-.1015;1.3608,-5.4339,1.2627;.1863,-5.8956,-.7932;.5108,-6.2988,1.9333;-.6509,-6.7673,-.1117;-.4971,-6.9675,1.2516;-1.803,2.3505,-2.095;.0601,3.3001,.1784;.069,1.027,-2.9547;1.7359,1.5476,-2.7338;.7358,2.2945,-3.9758;1.1017,4.6645,-3.0502;2.1953,3.9664,-1.8602;.8463,4.9674,-1.3329;-1.6093,5.1779,-2.3187;-.4917,-.8423,1.3353;.3002,-2.8574,.5125;2.9378,.518,.6073;4.6256,-.7793,-.6404;4.181,-3.1268,-1.2746;2.1515,-4.9209,1.796;.0702,-5.7283,-1.8561;.6428,-6.454,2.996;-1.4323,-7.2857,-.6518;-1.1554,-7.6431,1.7807; 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:-2.9846,3.7524,.756;-3.3133,6.3545,-.4491;.3651,1.0123,.9686;-.8809,.3108,-.7513;2.0309,-4.4214,-.8119;1.1174,-.2525,3.942;.2952,2.9695,-1.9954;-1.1557,3.1151,-1.6716;-.2177,2.6083,-.6084;.726,1.8931,-2.9611;1.151,4.212,-2.0577;-1.7855,4.4473,-1.5376;-.3119,1.1993,-.1817;-2.5868,4.8011,-.5419;.4731,-.3295,1.411;1.5192,-1.0995,.637;.8357,-.2605,2.8287;1.2579,-2.4108,.2749;2.731,-.5031,.3158;2.2271,-3.1411,-.4034;3.6787,-1.2343,-.3824;3.4385,-2.5511,-.7381;1.1892,-5.2349,-.1015;1.3608,-5.4339,1.2627;.1863,-5.8956,-.7932;.5108,-6.2988,1.9333;-.6509,-6.7673,-.1117;-.4971,-6.9675,1.2516;-1.803,2.3505,-2.095;.0601,3.3001,.1784;.069,1.027,-2.9547;1.7359,1.5476,-2.7338;.7358,2.2945,-3.9758;1.1017,4.6645,-3.0502;2.1953,3.9664,-1.8602;.8463,4.9674,-1.3329;-1.6093,5.1779,-2.3187;-.4917,-.8423,1.3353;.3002,-2.8574,.5125;2.9378,.518,.6073;4.6256,-.7793,-.6404;4.181,-3.1268,-1.2746;2.1515,-4.9209,1.796;.0702,-5.7283,-1.8561;.6428,-6.454,2.996;-1.4323,-7.2857,-.6518;-1.1554,-7.6431,1.7807; -2050.65917728 2730.20247793 -4780.86165521 -8235.80963808 3454.94798287 -4095.19520203 2044.53602475 2.00299489 107.999969907092 107.999969907092 215.999939814185 -151.870432859356 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 -2765.7776 -2765.7398 -525.2864 -524.7400 -523.4077 -392.6942 -283.7052 -283.0762 -282.9794 -281.8999 -281.6620 -280.9162 -280.9059 -280.7053 -280.6181 -280.5805 -280.5670 -280.2406 -280.2039 -280.0806 -280.0645 -280.0596 -280.0532 -279.9977 -279.9572 -279.8947 -279.8669 -279.6451 -261.0459 -261.0082 -199.8888 -199.8531 -199.6439 -199.6307 -199.6015 -199.5954 -34.2345 -33.1647 -31.6335 -28.6611 -28.1996 -27.9086 -27.3490 -26.8563 -26.1504 -25.5109 -24.3389 -24.3158 -23.9376 -23.8776 -23.4312 -23.1206 -22.3995 -21.4348 -20.8321 -20.2075 -19.9432 -19.6247 -19.2528 -18.5915 -18.1450 -18.0544 -17.6956 -17.3768 -17.2230 -16.6890 -16.4238 -16.3096 -16.1214 -16.0575 -15.9616 -15.9191 -15.3377 -15.0988 -15.0437 -14.8621 -14.5745 -14.4904 -14.2435 -14.1858 -14.0515 -14.0194 -13.8652 -13.5533 -13.4359 -13.1973 -13.1329 -13.0829 -12.9245 -12.7736 -12.6931 -12.4914 -12.3848 -12.2137 -12.1787 -12.1017 -11.8519 -11.8345 -11.4483 -11.3526 -11.0312 -10.8356 -10.5786 -9.8635 -9.6039 -9.5151 -9.4214 -8.6811 0.8808 1.1982 1.2591 1.5701 1.7670 1.9253 2.4270 2.5791 2.7856 3.0266 3.3240 3.3873 3.5828 3.6803 3.7707 3.9201 4.0966 4.2140 4.2720 4.4450 4.5052 4.7020 4.8161 4.8794 4.9300 5.1960 5.2334 5.3996 5.4168 5.6388 5.7777 5.9369 6.0009 6.0120 6.2089 6.2250 6.3453 6.5504 6.7891 6.9900 7.0142 7.0563 7.3001 7.4188 7.5189 7.5243 7.6109 7.7050 7.8755 7.9390 7.9621 8.0881 8.1490 8.2683 8.3704 8.4371 8.5389 8.6633 8.7826 8.8253 8.9467 9.0951 9.1344 9.2977 9.3386 9.3837 9.4656 9.5522 9.7559 9.8390 9.9961 10.0649 10.1386 10.1741 10.2263 10.5009 10.5815 10.7163 10.7557 10.8465 10.9589 11.1657 11.1684 11.2786 11.3209 11.3698 11.4423 11.6279 11.6912 11.7646 11.8974 11.9260 12.0646 12.1637 12.2207 12.3319 12.4241 12.5141 12.5824 12.7088 12.7793 12.7997 12.9214 12.9905 13.1685 13.2512 13.3436 13.3682 13.5063 13.5537 13.6112 13.6625 13.7465 13.9095 14.0219 14.0805 14.1351 14.2409 14.2998 14.3850 14.4323 14.5296 14.6063 14.7296 14.7861 14.8828 14.9702 15.0407 15.0920 15.2563 15.3058 15.3727 15.5704 15.6434 15.6998 15.7933 15.9162 15.9919 16.1402 16.2383 16.3543 16.4027 16.4474 16.5745 16.6328 16.8264 17.0753 17.1201 17.2253 17.3817 17.5696 17.6706 17.7924 17.9129 18.0076 18.1493 18.1879 18.4948 18.6301 18.6729 18.8489 19.0501 19.1355 19.2915 19.5302 19.6087 19.8312 19.9349 20.0557 20.0952 20.2438 20.3346 20.4081 20.5470 20.5968 20.8557 20.9714 21.0341 21.1409 21.2979 21.3399 21.4973 21.5652 21.6570 21.7539 21.8900 21.9352 22.1517 22.6162 22.6972 22.8178 23.0378 23.0547 23.0989 23.2221 23.2946 23.5479 23.7169 23.7511 23.9793 24.0820 24.1415 24.1851 24.3550 24.5971 24.8097 24.9606 25.1154 25.3112 25.3389 25.4357 25.6565 25.9102 26.3167 26.4403 26.5668 26.7026 26.7675 26.8777 27.1653 27.1908 27.2503 27.2907 27.5870 27.8258 27.9490 28.0004 28.1602 28.3821 28.4837 28.5739 28.6979 28.8418 28.9915 29.1496 29.2307 29.2468 29.2891 29.4542 29.5251 29.7392 29.8687 29.9317 30.2640 30.2956 30.5603 30.6146 30.7459 30.8834 30.9827 31.0890 31.3607 31.5060 31.6038 31.7347 31.9723 32.0499 32.0892 32.4171 32.5925 32.6628 32.8347 32.8456 33.0415 33.0552 33.1911 33.2984 33.5402 33.6998 33.7191 33.8375 33.9698 34.0655 34.2538 34.4119 34.4929 34.7291 34.8132 35.0540 35.2893 35.3563 35.3984 35.5887 35.8149 35.8740 36.0842 36.2444 36.3958 36.5806 36.6527 36.8845 37.0021 37.0536 37.2653 37.2809 37.5081 37.5627 37.7701 37.8420 38.0010 38.0765 38.1313 38.2108 38.3318 38.4268 38.6010 38.7647 38.8329 38.8768 39.0585 39.2063 39.2219 39.3393 39.5777 39.7118 39.9048 40.0719 40.2892 40.3455 40.5449 40.6932 40.8790 40.9595 41.1245 41.3627 41.4223 41.5364 41.6310 41.7648 42.1071 42.1215 42.3222 42.3381 42.5215 42.7116 42.7337 42.7946 43.0151 43.1583 43.2680 43.5589 43.6111 43.7872 43.9317 44.0242 44.1536 44.2756 44.4135 44.4292 44.6641 44.8625 45.0192 45.1801 45.2993 45.3824 45.6517 45.7314 45.8021 46.0282 46.1658 46.2524 46.3275 46.7938 46.9045 46.9660 47.0206 47.2097 47.3329 47.5519 47.5864 47.9193 48.0688 48.1207 48.3641 48.4636 48.5780 48.9316 49.1632 49.4161 49.5149 49.6913 49.8703 50.0735 50.2076 50.3661 50.4427 50.5903 50.8084 50.8496 50.9117 51.1783 51.3086 51.3943 51.6351 51.7957 51.9337 52.0355 52.3128 52.4077 52.6112 52.6839 52.7740 53.1252 53.2439 53.4865 53.8142 53.9899 54.2598 54.5004 54.6455 54.7295 54.9989 55.0954 55.2168 55.7912 55.9159 55.9876 56.2439 56.2539 56.5267 56.7863 56.8702 56.9083 56.9726 57.1048 57.3004 57.5395 57.6553 57.7150 58.1019 58.2153 58.7051 58.8229 59.0183 59.1026 59.3085 59.4050 59.4906 59.6176 59.8329 59.9673 60.1349 60.3694 60.5418 60.7589 61.2974 61.5111 61.6377 61.7380 62.2721 62.3373 62.6803 62.8853 63.0540 63.2474 63.4856 63.5565 63.6581 63.7410 63.8994 64.0918 64.2799 64.6078 64.8598 64.9700 65.0659 65.1524 65.4645 65.7165 65.9801 66.0674 66.2273 66.4056 66.6977 66.9458 67.1289 67.2584 67.3320 67.3866 67.5950 67.7154 68.0158 68.2036 68.4478 68.5148 68.5780 68.8498 69.1845 69.4739 69.7652 69.9637 70.1330 70.7585 71.0816 71.1761 71.4185 71.7474 71.9940 72.1450 72.2646 72.7384 73.0081 73.3783 73.5398 73.6536 73.8029 73.9767 74.3404 74.6593 74.8332 74.9732 75.0244 75.3099 75.6869 75.8759 75.9907 76.1614 76.3190 76.3871 76.4734 76.6558 76.9110 77.0395 77.1174 77.4119 77.5877 77.6511 78.0041 78.0270 78.1847 78.3236 78.5343 78.6490 78.6675 78.8144 78.9766 79.0605 79.2048 79.3834 79.5389 79.6795 79.7795 79.9476 80.0646 80.1177 80.3247 80.4918 80.6229 80.7066 80.8712 81.1423 81.3578 81.4781 81.5826 81.7214 81.8936 82.0585 82.1746 82.3420 82.4278 82.5390 82.5865 82.7958 82.9366 83.0465 83.1859 83.4600 83.6890 83.8125 84.0039 84.0228 84.1865 84.2664 84.4625 84.7267 84.7756 84.8222 85.0362 85.0912 85.1918 85.3085 85.3770 85.5447 85.6190 85.7144 85.8408 86.0553 86.1122 86.2193 86.3092 86.3267 86.5297 86.5803 86.8572 86.9958 87.1136 87.5064 87.5834 87.6757 87.7827 88.0413 88.1740 88.3659 88.5131 88.5812 88.6496 88.7303 88.8405 88.9415 88.9630 89.0691 89.2455 89.2899 89.3815 89.4577 89.7038 89.9606 90.0336 90.1171 90.2290 90.3188 90.5527 90.6928 90.7564 90.9068 90.9393 91.2736 91.4230 91.5020 91.7513 91.8034 92.0274 92.2503 92.3898 92.4707 92.6196 92.7196 92.7819 92.8715 93.0625 93.1232 93.1640 93.3294 93.3559 93.5828 93.6622 93.6966 93.7707 94.0212 94.2554 94.3664 94.4849 94.5920 94.9133 94.9851 95.0578 95.1802 95.2139 95.3211 95.5290 95.7045 95.8596 95.9026 96.0403 96.1714 96.3382 96.4125 96.6993 96.7414 96.9137 97.1222 97.2132 97.3344 97.4268 97.5567 97.6288 97.8470 97.9821 98.0932 98.1851 98.3904 98.4602 98.6126 98.7416 98.9721 99.0347 99.1746 99.5708 99.7562 99.9885 100.0851 100.2892 100.3672 100.7500 100.8744 100.9396 101.3167 101.4715 101.6019 101.8784 101.9415 102.2128 102.3015 102.4089 102.6495 103.0347 103.3347 103.5935 103.7249 104.0285 104.1704 104.3352 104.5633 104.5998 104.8167 104.8437 105.1390 105.2265 105.2781 105.4337 105.4978 105.6429 105.7871 105.8718 105.9669 106.0196 106.1871 106.2710 106.3514 106.7980 106.8482 107.0438 107.0595 107.3875 107.4022 107.5596 107.7276 107.9944 108.1255 108.2056 108.4061 108.6973 108.8983 109.0478 109.0797 109.4363 109.8668 109.9375 110.0585 110.3124 110.5001 110.6497 110.6606 110.7642 110.9381 111.0544 111.2263 111.3870 111.6536 111.9906 112.1289 112.2271 112.3293 112.4749 112.6123 112.9392 113.0513 113.1346 113.3089 113.5422 113.7404 113.8951 114.0077 114.1203 114.2630 114.4154 114.7638 114.9324 115.0755 115.1048 115.2536 115.4671 115.7266 115.8736 116.0067 116.2169 116.2343 116.4665 116.7080 116.7938 116.9593 117.0910 117.1679 117.2924 117.3989 117.5697 117.6860 117.8704 117.9680 118.1175 118.1905 118.3771 118.4580 118.5529 118.7007 118.8544 119.1335 119.3505 119.4356 119.8456 119.8521 119.9705 120.0604 120.3919 120.4371 120.5279 120.8240 120.9053 121.3660 121.4562 121.6938 121.8376 122.0053 122.1509 122.5308 122.6832 122.7282 123.0250 123.3462 123.6121 123.9810 124.2823 124.8857 125.0627 125.2277 125.5136 125.6949 126.2583 126.3210 126.4830 126.8570 127.2512 127.3060 127.7674 127.9376 128.0342 128.2730 128.5640 128.5983 128.9675 129.0317 129.1857 129.6440 129.6742 129.9007 129.9754 130.1432 130.4886 130.5004 130.6697 131.0464 131.2089 131.2859 131.4597 131.7360 131.9144 132.0471 132.3079 132.6144 132.6844 132.9925 133.1895 133.7822 133.7925 134.0131 134.0209 134.4093 134.7168 135.0619 135.1676 135.4805 135.7979 136.3616 136.7109 136.9479 137.2214 137.6910 137.7994 137.9489 138.0556 138.3004 138.4196 138.9209 139.1729 139.4473 140.0218 140.1450 140.9732 141.0505 141.2293 141.4742 141.7241 142.4600 142.8678 143.2999 143.5522 143.6750 143.9828 144.0255 144.1808 144.3121 144.4656 144.6475 145.0075 145.3401 145.4223 145.5666 145.8281 146.0583 146.1772 146.7837 146.9708 147.3625 147.4840 147.7430 148.0048 148.2298 148.3084 148.3916 148.6917 149.1337 149.5728 149.6341 149.8802 150.0050 150.2711 150.8164 151.0065 151.5104 151.9162 152.0982 152.3143 152.3919 153.1044 153.6517 153.9311 154.2485 154.6530 154.8332 155.3800 155.4831 155.8603 156.1654 156.7729 156.8815 157.2146 157.2537 158.0659 158.5050 159.0212 159.1653 159.2257 159.6100 160.0643 160.6310 161.1608 161.2810 161.8630 162.1525 162.5724 163.3770 164.2629 165.6800 167.0873 167.8730 168.7628 169.9948 172.2014 172.4474 172.6670 173.3550 174.8178 175.6202 177.2303 178.4899 179.1044 181.0426 182.1987 185.1722 186.4183 186.8698 187.2960 189.2858 189.8052 191.9062 192.3943 193.2903 195.8607 196.4232 198.9564 201.7195 205.0276 206.2956 206.8409 221.3063 222.0981 222.2811 222.8966 223.2413 223.6645 225.7649 226.0532 228.0680 229.4515 294.5551 294.8785 295.8277 298.1612 308.6746 313.2905 607.4038 618.6244 620.6757 625.4351 629.7642 630.7292 631.8695 632.4981 633.8963 633.9420 634.1943 635.1204 636.5536 636.7674 637.4034 639.6702 642.2181 642.6859 647.4262 650.2181 657.2675 658.0633 704.0074 709.4132 876.4806 1200.4694 1212.3842 1214.9482 -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 -0.029514 -0.039629 -0.264211 -0.362034 -0.296696 -0.000621 0.112586 -0.005377 -0.158533 -0.243890 -0.268547 -0.251350 0.341301 0.092527 0.306670 0.059531 -0.251723 -0.133009 -0.216771 0.206820 -0.089150 -0.188070 0.220936 -0.159238 -0.192627 -0.114100 -0.097987 -0.136171 0.108756 0.107705 0.102983 0.085754 0.088719 0.094143 0.094799 0.089467 0.118495 0.121865 0.112680 0.125612 0.128265 0.129199 0.137069 0.127098 0.130966 0.127453 0.127849 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 17.0295 17.0396 8.2642 8.3620 8.2967 7.0006 5.8874 6.0054 6.1585 6.2439 6.2685 6.2513 5.6587 5.9075 5.6933 5.9405 6.2517 6.1330 6.2168 5.7932 6.0891 6.1881 5.7791 6.1592 6.1926 6.1141 6.0980 6.1362 0.8912 0.8923 0.8970 0.9142 0.9113 0.9059 0.9052 0.9105 0.8815 0.8781 0.8873 0.8744 0.8717 0.8708 0.8629 0.8729 0.8690 0.8725 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 -0.0295 -0.0396 -0.2642 -0.3620 -0.2967 -0.0006 0.1126 -0.0054 -0.1585 -0.2439 -0.2685 -0.2513 0.3413 0.0925 0.3067 0.0595 -0.2517 -0.1330 -0.2168 0.2068 -0.0891 -0.1881 0.2209 -0.1592 -0.1926 -0.1141 -0.0980 -0.1362 0.1088 0.1077 0.1030 0.0858 0.0887 0.0941 0.0948 0.0895 0.1185 0.1219 0.1127 0.1256 0.1283 0.1292 0.1371 0.1271 0.1310 0.1275 0.1278 1.3018 1.2659 2.1142 2.1422 2.1123 3.1227 3.7400 3.8373 3.8651 3.8985 3.9123 3.9098 4.2133 4.2077 3.8363 3.6615 4.0187 3.9648 4.0087 3.8767 3.9408 4.0296 3.8222 3.9624 4.0368 3.9449 3.9336 3.9560 1.0265 1.0242 1.0192 1.0044 1.0032 1.0017 1.0065 1.0005 1.0172 1.0229 1.0166 1.0194 0.9989 1.0113 1.0022 1.0126 0.9993 0.9989 0.9999 1.3018 1.2659 2.1142 2.1422 2.1123 3.1227 3.7400 3.8373 3.8651 3.8985 3.9123 3.9098 4.2133 4.2077 3.8363 3.6615 4.0187 3.9648 4.0087 3.8767 3.9408 4.0296 3.8222 3.9624 4.0368 3.9449 3.9336 3.9560 1.0265 1.0242 1.0192 1.0044 1.0032 1.0017 1.0065 1.0005 1.0172 1.0229 1.0166 1.0194 0.9989 1.0113 1.0022 1.0126 0.9993 0.9989 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 1.2101 1.1505 1.1222 0.8762 1.9749 1.0085 0.9234 3.0598 0.9590 0.8360 0.9627 0.9307 0.9385 0.9700 0.9932 1.0061 1.0220 0.9825 0.9914 0.9899 0.9966 0.9893 0.9879 1.8717 0.9761 0.8892 0.9320 1.0051 1.3942 1.3633 1.3791 0.9363 1.4450 0.9780 1.4154 1.4488 0.9762 0.9685 1.3783 1.4311 1.4375 0.9640 1.4317 0.9711 1.4279 0.9714 1.4316 0.9733 0.9761 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 -0.024577727 -2050.683755010567 22.53964 -22.15198 0.38766 -23.57645 23.56901 -0.00743 -14.64176 13.10496 -1.53680 1.58496 4.02864