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:.8689,-6.1489,-1.14;3.627,-5.7782,-1.8999;-.3861,.0015,-.9981;-1.4886,-1.7887,-.2302;-1.3934,4.1381,2.1732;-1.1799,2.3308,-3.2154;1.2543,-2.33,1.1991;1.0894,-3.2276,.0095;.9021,-1.731,-.1492;.2223,-2.4158,2.2971;2.6379,-2.0196,1.7198;2.2298,-3.8778,-.6468;-.4526,-1.2205,-.4411;2.2309,-5.103,-1.1578;-1.6293,.6392,-1.2751;-2.1771,1.3363,-.0541;-1.3594,1.5844,-2.3609;-1.5059,2.4387,.4628;-3.32,.8523,.5624;-2.0022,3.072,1.593;-3.8006,1.4882,1.6982;-3.1531,2.5962,2.2128;-.6424,4.9977,1.4174;.6113,5.3449,1.8953;-1.1314,5.5518,.2412;1.381,6.2578,1.1895;-.3465,6.4521,-.4609;.9095,6.8097,.0084;.1636,-3.7911,-.0026;1.702,-1.1835,-.6348;.1172,-1.4555,2.8051;.5436,-3.149,3.0385;-.7593,-2.7147,1.9391;2.9998,-2.8343,2.3489;2.6165,-1.1137,2.327;3.3718,-1.8599,.9308;3.1558,-3.323,-.7314;-2.3593,-.089,-1.6419;-.6089,2.8056,-.0217;-3.8256,-.0183,.1676;-4.6933,1.1194,2.185;-3.5284,3.101,3.0932;.9731,4.9057,2.8157;-2.1134,5.2834,-.1268;2.3584,6.5313,1.5643;-.7242,6.8787,-1.3805;1.5157,7.5148,-.5438; 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 2699.1482869737 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 7.083e-06 Time for diagonalization 0.593 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.502 sec Total time needed 1.117 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:.8689,-6.1489,-1.14;3.627,-5.7782,-1.8999;-.3861,.0015,-.9981;-1.4886,-1.7887,-.2302;-1.3934,4.1381,2.1732;-1.1799,2.3308,-3.2154;1.2543,-2.33,1.1991;1.0894,-3.2276,.0095;.9021,-1.731,-.1492;.2223,-2.4158,2.2971;2.6379,-2.0196,1.7198;2.2298,-3.8778,-.6468;-.4526,-1.2205,-.4411;2.2309,-5.103,-1.1578;-1.6293,.6392,-1.2751;-2.1771,1.3363,-.0541;-1.3594,1.5844,-2.3609;-1.5059,2.4387,.4628;-3.32,.8523,.5624;-2.0022,3.072,1.593;-3.8006,1.4882,1.6982;-3.1531,2.5962,2.2128;-.6424,4.9977,1.4174;.6113,5.3449,1.8953;-1.1314,5.5518,.2412;1.381,6.2578,1.1895;-.3465,6.4521,-.4609;.9095,6.8097,.0084;.1636,-3.7911,-.0026;1.702,-1.1835,-.6348;.1172,-1.4555,2.8051;.5436,-3.149,3.0385;-.7593,-2.7147,1.9391;2.9998,-2.8343,2.3489;2.6165,-1.1137,2.327;3.3718,-1.8599,.9308;3.1558,-3.323,-.7314;-2.3593,-.089,-1.6419;-.6089,2.8056,-.0217;-3.8256,-.0183,.1676;-4.6933,1.1194,2.185;-3.5284,3.101,3.0932;.9731,4.9057,2.8157;-2.1134,5.2834,-.1268;2.3585,6.5313,1.5643;-.7242,6.8787,-1.3805;1.5157,7.5148,-.5438; 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:.8689,-6.1489,-1.14;3.627,-5.7782,-1.8999;-.3861,.0015,-.9981;-1.4886,-1.7887,-.2302;-1.3934,4.1381,2.1732;-1.1799,2.3308,-3.2154;1.2543,-2.33,1.1991;1.0894,-3.2276,.0095;.9021,-1.731,-.1492;.2223,-2.4158,2.2971;2.6379,-2.0196,1.7198;2.2298,-3.8778,-.6468;-.4526,-1.2205,-.4411;2.2309,-5.103,-1.1578;-1.6293,.6392,-1.2751;-2.1771,1.3363,-.0541;-1.3594,1.5844,-2.3609;-1.5059,2.4387,.4628;-3.32,.8523,.5624;-2.0022,3.072,1.593;-3.8006,1.4882,1.6982;-3.1531,2.5962,2.2128;-.6424,4.9977,1.4174;.6113,5.3449,1.8953;-1.1314,5.5518,.2412;1.381,6.2578,1.1895;-.3465,6.4521,-.4609;.9095,6.8097,.0084;.1636,-3.7911,-.0026;1.702,-1.1835,-.6348;.1172,-1.4555,2.8051;.5436,-3.149,3.0385;-.7593,-2.7147,1.9391;2.9998,-2.8343,2.3489;2.6165,-1.1137,2.327;3.3718,-1.8599,.9308;3.1558,-3.323,-.7314;-2.3593,-.089,-1.6419;-.6089,2.8056,-.0217;-3.8256,-.0183,.1676;-4.6933,1.1194,2.185;-3.5284,3.101,3.0932;.9731,4.9057,2.8157;-2.1134,5.2834,-.1268;2.3584,6.5313,1.5643;-.7242,6.8787,-1.3805;1.5157,7.5148,-.5438; -2050.66208165 2699.14828697 -4749.81036862 -8173.66110349 3423.85073487 -4095.19442730 2044.53234565 2.00299811 107.999800999720 107.999800999720 215.999601999439 -151.871018086527 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 -2765.7116 -2765.6596 -525.3514 -524.7595 -523.4523 -392.7783 -283.7900 -283.0175 -282.9738 -281.9224 -281.6490 -280.9934 -280.9865 -280.7107 -280.6842 -280.6710 -280.5987 -280.2425 -280.2220 -280.1272 -280.1255 -280.0168 -280.0024 -279.9513 -279.9254 -279.9022 -279.8382 -279.6484 -260.9800 -260.9275 -199.8233 -199.7726 -199.5749 -199.5675 -199.5199 -199.5154 -34.2671 -33.1752 -31.6765 -28.5686 -28.2788 -27.9604 -27.3756 -26.8330 -26.0743 -25.5646 -24.3624 -24.3471 -23.9336 -23.8409 -23.4658 -23.1470 -22.4183 -21.4558 -20.8693 -20.2438 -19.8825 -19.4292 -19.2676 -18.7205 -18.4518 -18.2849 -17.7649 -17.2231 -17.0903 -16.5384 -16.5148 -16.3135 -16.2787 -16.0639 -15.9623 -15.6541 -15.1865 -15.0373 -14.9943 -14.9794 -14.6412 -14.5037 -14.3148 -14.1426 -14.0889 -14.0414 -13.8531 -13.5640 -13.4557 -13.2068 -13.1598 -13.0883 -12.9840 -12.8572 -12.6680 -12.4842 -12.3918 -12.2050 -12.1654 -12.0171 -11.8982 -11.7842 -11.6798 -11.5211 -11.2627 -10.8737 -10.6445 -9.8691 -9.6151 -9.5213 -9.0709 -8.6511 0.7652 1.1889 1.3030 1.5686 1.8673 2.0462 2.4771 2.6036 2.7417 2.9999 3.1110 3.3837 3.6096 3.8329 3.9448 4.0197 4.2337 4.2981 4.4067 4.5378 4.5647 4.7542 4.8004 4.8764 4.9324 5.1004 5.2955 5.3499 5.4606 5.6246 5.7746 5.8133 5.9273 6.1203 6.1458 6.2289 6.3884 6.5289 6.7557 6.7774 7.0161 7.2373 7.2462 7.4508 7.5036 7.5179 7.5610 7.7012 7.7166 7.8313 7.9022 7.9486 8.1275 8.2370 8.3055 8.3773 8.5277 8.6126 8.6600 8.7500 8.8660 9.1253 9.1855 9.3014 9.4048 9.5736 9.6112 9.7047 9.8813 9.9299 10.0020 10.0495 10.1725 10.2413 10.4228 10.5305 10.6127 10.7440 10.8392 10.9118 10.9714 11.0292 11.2685 11.3302 11.3667 11.4716 11.5568 11.5764 11.6835 11.7627 11.8342 11.8695 11.9856 12.0529 12.1916 12.3036 12.3861 12.4555 12.6009 12.6608 12.7237 12.7548 12.8128 12.9551 13.0030 13.1056 13.1967 13.2790 13.4261 13.5121 13.5850 13.6711 13.7786 13.8410 13.8550 14.0064 14.0621 14.1796 14.2771 14.3720 14.4883 14.5005 14.5532 14.7273 14.8635 14.9237 15.0089 15.0980 15.1318 15.1946 15.2251 15.3692 15.5499 15.6806 15.7455 15.8319 15.9683 16.0396 16.0723 16.2185 16.2798 16.3075 16.3744 16.5172 16.5744 16.6989 16.8060 16.9058 17.0033 17.2210 17.4159 17.5298 17.5556 17.7099 17.9253 18.0165 18.2567 18.3931 18.6556 18.8240 18.9564 19.1270 19.1830 19.3755 19.5143 19.7037 19.8129 19.9905 20.0644 20.1651 20.2543 20.3259 20.4189 20.5329 20.6568 20.6990 20.7882 20.9631 21.0378 21.2402 21.3425 21.4527 21.5489 21.6961 21.7481 21.9024 22.0107 22.1429 22.2217 22.4250 22.6503 22.7709 23.0114 23.1983 23.3350 23.3780 23.3992 23.5124 23.6085 23.7861 23.8881 24.0353 24.1951 24.2799 24.4216 24.5545 24.7998 24.8894 25.1291 25.2345 25.4546 25.6505 25.9458 26.1637 26.2748 26.4123 26.4885 26.6631 26.9012 26.9697 27.0179 27.1970 27.2571 27.4423 27.6513 27.7714 27.8492 28.0319 28.1249 28.3091 28.5317 28.6356 28.6668 28.9567 29.0346 29.0730 29.2047 29.3244 29.4448 29.6366 29.6764 29.7416 29.9920 30.1521 30.2120 30.3417 30.4269 30.6269 30.7634 30.8717 31.1729 31.2459 31.4074 31.4230 31.5658 31.7630 31.8834 32.1018 32.2953 32.4679 32.6023 32.6522 32.6654 32.7020 32.7988 33.2448 33.3670 33.4278 33.6667 33.8403 33.9529 34.0829 34.2285 34.3113 34.4661 34.6510 34.8315 35.0183 35.1192 35.3836 35.4268 35.4717 35.6031 35.7725 35.9105 35.9472 36.0685 36.0994 36.2496 36.4315 36.6197 36.7030 36.8854 37.0686 37.3308 37.3858 37.5256 37.6378 37.7906 37.9038 38.0013 38.1003 38.1411 38.3378 38.4016 38.4765 38.6253 38.7152 38.7923 38.9407 39.1244 39.1549 39.3048 39.3963 39.5296 39.9407 40.1127 40.3043 40.3952 40.6009 40.6317 40.8013 40.9462 41.0188 41.1276 41.3465 41.4087 41.5806 41.8466 41.9118 42.0853 42.1622 42.3050 42.3655 42.6884 42.8312 42.9029 43.0866 43.2433 43.3705 43.5209 43.6315 43.7474 43.8604 43.9331 44.0395 44.1377 44.2600 44.3459 44.4652 44.6746 44.8776 45.1762 45.2651 45.4143 45.5203 45.6557 45.7744 46.0539 46.0910 46.1727 46.2750 46.3929 46.5346 46.7952 47.0168 47.1219 47.2597 47.5076 47.7061 47.8348 48.0049 48.2242 48.3600 48.5369 48.6031 48.8811 49.0559 49.2369 49.5014 49.5953 49.8330 50.0630 50.1044 50.2373 50.5411 50.6736 50.7311 50.8808 51.0874 51.1198 51.2313 51.4577 51.6406 51.7255 52.0652 52.2712 52.3634 52.3830 52.4621 52.5699 52.6117 52.8377 52.8881 53.1069 53.5712 53.8281 53.8939 54.2235 54.5802 54.7641 55.0411 55.1987 55.4875 55.7179 55.8898 56.0553 56.1189 56.3093 56.5931 56.8022 56.9496 56.9699 57.1635 57.2898 57.6108 57.6236 58.1194 58.2011 58.3288 58.3664 58.5904 58.6609 58.8766 59.1290 59.1910 59.3092 59.4891 59.7192 59.9065 59.9809 60.2693 60.3102 60.5509 60.6539 61.3186 61.5332 61.6456 61.8063 62.0908 62.2551 62.3490 62.9245 63.0084 63.1507 63.2890 63.3177 63.5476 63.7066 63.8807 63.9898 64.2168 64.4417 64.6534 64.7144 64.9703 65.2583 65.2999 65.4210 65.4791 65.6413 66.0127 66.1918 66.5357 66.5483 66.9437 67.2223 67.3904 67.5155 67.6482 67.7644 68.0626 68.2293 68.4324 68.6128 68.7007 68.9632 69.1157 69.4355 69.6295 70.0742 70.2644 70.5673 70.9185 71.0943 71.8262 71.8568 72.2142 72.5322 72.6792 72.7913 72.9174 73.3434 73.4852 73.6720 74.0603 74.2140 74.3009 74.3882 74.4740 74.6737 75.0860 75.3067 75.4764 75.6257 75.7439 75.9635 76.2922 76.4214 76.6734 76.7170 76.8489 77.1303 77.2613 77.4549 77.5073 77.5532 77.8576 77.9216 78.1430 78.2286 78.4443 78.6181 78.6273 78.8352 78.9738 79.0623 79.1813 79.2928 79.3852 79.4333 79.6407 79.7136 79.8724 79.9858 80.1711 80.3026 80.4008 80.8603 81.0722 81.1209 81.2349 81.3341 81.5557 81.6461 81.7096 81.9132 82.0440 82.1981 82.4223 82.5104 82.5117 82.6818 82.8494 82.9449 83.1086 83.2199 83.3506 83.6418 83.8380 83.8677 83.9873 84.1149 84.3998 84.5243 84.6053 84.6962 84.8272 84.9782 85.1350 85.2684 85.3305 85.4250 85.4783 85.5458 85.6279 85.8048 85.9632 86.1315 86.1743 86.3494 86.4104 86.4960 86.8520 87.0489 87.1057 87.3968 87.5980 87.6899 87.7446 87.9656 88.0508 88.0956 88.3429 88.3643 88.4983 88.7175 88.8481 88.9042 88.9836 89.0113 89.0957 89.2131 89.4566 89.5021 89.5990 89.7762 89.8008 89.8367 90.2756 90.3411 90.3768 90.5990 90.8724 90.9765 91.0694 91.1925 91.2679 91.4960 91.7111 91.8860 92.0873 92.1339 92.2375 92.2948 92.4336 92.5817 92.6814 92.7243 92.9545 93.0386 93.3098 93.3465 93.3678 93.5013 93.6489 93.7590 93.8030 93.9169 94.1911 94.3397 94.5116 94.6527 94.7177 94.7934 94.8728 95.1341 95.2428 95.2860 95.2979 95.5754 95.6771 95.9366 95.9764 96.2426 96.4068 96.5595 96.6573 96.8534 96.9149 96.9893 97.0438 97.3110 97.4036 97.5268 97.6161 97.7986 97.9455 98.2119 98.2994 98.4483 98.4962 98.5248 98.7665 98.8612 98.9120 99.1453 99.4118 99.4497 99.8634 100.0780 100.2404 100.3282 100.5587 100.8977 101.0532 101.1055 101.3844 101.7319 102.0051 102.1380 102.2729 102.3698 102.4983 102.7642 102.8469 103.1941 103.5249 103.6831 103.8527 104.2408 104.3501 104.4137 104.5367 104.7630 104.8269 104.9928 105.2084 105.2881 105.3681 105.4560 105.5098 105.7232 105.7704 105.9667 106.0977 106.2764 106.4110 106.5145 106.6298 106.7700 106.9313 107.2120 107.2808 107.3630 107.4439 107.8110 108.0623 108.1975 108.3432 108.6153 108.8466 109.0923 109.1913 109.2544 109.4633 109.6056 109.8037 109.8844 110.0166 110.3311 110.4561 110.6263 110.6726 110.8888 110.9297 111.1983 111.2499 111.3016 111.5371 111.5988 111.9312 111.9561 112.4590 112.6975 112.8203 113.0152 113.1630 113.3409 113.4897 113.5261 113.9016 114.0263 114.3585 114.4473 114.5232 114.5608 114.8689 115.0144 115.3261 115.4942 115.7074 115.8766 115.9958 116.0631 116.2115 116.2966 116.3497 116.4782 116.5787 116.8112 117.0064 117.0912 117.1872 117.2634 117.4266 117.7079 117.8620 117.9085 118.1814 118.2799 118.3682 118.4789 118.5080 118.8354 118.8753 119.0365 119.3910 119.4780 119.8697 119.9079 119.9909 120.2348 120.3493 120.5667 120.6446 120.8997 121.1236 121.1861 121.3691 121.7305 121.9070 121.9988 122.3382 122.7318 122.9768 123.1104 123.2707 123.5298 123.7005 124.0694 124.1574 125.0637 125.2450 125.4743 125.4961 125.7104 125.9628 126.4432 126.4603 126.5734 127.0857 127.5076 127.7431 127.8823 128.0155 128.4799 128.7693 128.8563 128.8865 128.9431 129.1158 129.3924 129.4975 129.6886 129.9462 130.2529 130.4243 130.5242 130.7071 130.8861 130.9264 131.1882 131.5487 131.6340 131.7329 131.9258 132.0764 132.4547 132.6395 132.7677 132.9317 133.0779 133.8469 133.9897 134.1391 134.5874 134.9010 135.0838 135.2697 135.6509 136.1194 136.4157 136.7514 137.0597 137.5342 137.7930 137.8578 138.1278 138.1773 138.5116 138.5637 138.9129 139.2736 139.4555 139.9199 140.2291 140.3634 140.8917 141.1332 141.3893 141.7971 142.3568 142.7062 142.8722 143.6059 143.8354 144.0354 144.1016 144.1124 144.1979 144.3287 144.8852 145.0008 145.1308 145.4301 145.6844 146.0279 146.0783 146.5878 146.6996 147.1225 147.2549 147.5003 147.6831 147.8665 148.0826 148.3681 148.6087 148.7738 149.2356 149.3343 149.9273 150.0767 150.2202 150.4610 150.8199 151.2219 151.6850 151.9411 152.1151 152.3429 152.5092 153.2193 153.4845 154.1694 154.5555 155.1903 155.5031 155.7332 156.0228 156.2238 156.8422 156.9191 157.2778 157.3025 157.6124 158.3508 158.8264 158.9026 159.2782 159.5540 160.1432 160.4683 160.5179 161.6703 161.9223 162.2702 162.5509 163.1308 163.5847 164.1805 165.6309 167.1457 168.0080 168.9633 169.5576 172.2127 172.3948 172.6941 172.8525 174.2699 175.8260 177.3647 178.6954 179.1304 181.0160 182.2962 185.3079 186.0853 186.5979 187.3194 189.1192 189.6761 191.9785 192.3681 193.5936 195.5055 196.3795 198.8268 202.0343 204.8065 206.4070 206.5596 221.3059 221.6419 222.3719 222.8973 222.9163 223.4996 225.7515 225.9636 227.9026 229.3239 294.4682 294.7453 295.6932 297.1224 308.5500 313.3349 608.9614 618.3553 620.2310 625.2707 628.8135 630.7000 631.7848 632.1518 634.1186 634.4378 635.1933 635.2109 636.5011 636.8321 637.4122 639.2192 641.8807 643.2810 646.9717 650.0580 657.1625 658.1158 702.2112 708.0905 876.9774 1200.3667 1212.9398 1215.0486 -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 -0.038563 -0.044406 -0.263700 -0.379058 -0.297120 -0.003074 0.065613 0.043477 -0.088520 -0.245647 -0.249331 -0.205034 0.356672 0.052956 0.333869 0.004271 -0.266996 -0.185548 -0.134507 0.221717 -0.089756 -0.203824 0.243614 -0.207338 -0.169258 -0.092660 -0.099844 -0.141444 0.086175 0.083232 0.089832 0.089752 0.101303 0.100525 0.094689 0.074293 0.097116 0.121063 0.129467 0.117090 0.128644 0.129652 0.124424 0.133715 0.125671 0.129769 0.127029 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 17.0386 17.0444 8.2637 8.3791 8.2971 7.0031 5.9344 5.9565 6.0885 6.2456 6.2493 6.2050 5.6433 5.9470 5.6661 5.9957 6.2670 6.1855 6.1345 5.7783 6.0898 6.2038 5.7564 6.2073 6.1693 6.0927 6.0998 6.1414 0.9138 0.9168 0.9102 0.9102 0.8987 0.8995 0.9053 0.9257 0.9029 0.8789 0.8705 0.8829 0.8714 0.8703 0.8756 0.8663 0.8743 0.8702 0.8730 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 -0.0386 -0.0444 -0.2637 -0.3791 -0.2971 -0.0031 0.0656 0.0435 -0.0885 -0.2456 -0.2493 -0.2050 0.3567 0.0530 0.3339 0.0043 -0.2670 -0.1855 -0.1345 0.2217 -0.0898 -0.2038 0.2436 -0.2073 -0.1693 -0.0927 -0.0998 -0.1414 0.0862 0.0832 0.0898 0.0898 0.1013 0.1005 0.0947 0.0743 0.0971 0.1211 0.1295 0.1171 0.1286 0.1297 0.1244 0.1337 0.1257 0.1298 0.1270 1.2888 1.2606 2.1381 2.1260 2.1162 3.1177 3.7649 3.8294 3.8663 3.9148 3.9101 3.9245 4.2393 4.2537 3.8319 3.6649 4.0278 3.9684 3.9908 3.8539 3.9538 4.0343 3.7965 4.0457 3.9633 3.9310 3.9474 3.9615 1.0512 1.0342 1.0017 1.0015 1.0209 1.0022 1.0042 1.0102 1.0317 1.0184 1.0174 1.0198 0.9996 1.0117 1.0135 1.0032 0.9990 0.9997 1.0002 1.2888 1.2606 2.1381 2.1260 2.1162 3.1177 3.7649 3.8294 3.8663 3.9148 3.9101 3.9245 4.2393 4.2537 3.8319 3.6649 4.0278 3.9684 3.9908 3.8539 3.9538 4.0343 3.7965 4.0457 3.9633 3.9310 3.9474 3.9615 1.0512 1.0342 1.0017 1.0015 1.0209 1.0022 1.0042 1.0102 1.0317 1.0184 1.0174 1.0198 0.9996 1.0117 1.0135 1.0032 0.9990 0.9997 1.0002 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 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 1.1549 1.1429 0.8662 1.9361 1.0152 0.9283 3.0595 0.9122 0.8618 0.9655 0.9528 0.9110 1.0260 0.9862 1.0470 1.0124 0.9906 0.9889 0.9827 0.9944 0.9881 0.9878 1.8728 0.9522 0.9099 0.9231 1.0000 1.3643 1.3873 1.3933 0.9449 1.4416 0.9638 1.4009 1.4612 0.9759 0.9702 1.4257 1.3699 1.4365 0.9716 1.4400 0.9657 1.4290 0.9743 1.4295 0.9700 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 -0.023326161 -2050.685407807319 -5.04949 5.32923 0.27974 31.84149 -31.61378 0.22771 21.07918 -19.71022 1.36896 1.41569 3.59839