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:.3995,-6.5141,-.4537;2.5779,-6.4719,-2.3433;-.683,-.3972,-1.1374;-1.3843,-1.8051,.4576;-.8189,4.8005,.0368;-2.37,1.0058,-3.6113;1.6614,-2.409,.7916;1.0364,-3.4558,-.0807;.8388,-1.9856,-.4083;1.129,-2.2492,2.1953;3.1458,-2.1444,.696;1.8161,-4.2901,-1.0032;-.5197,-1.4206,-.2821;1.6166,-5.5831,-1.2298;-1.9587,.2412,-1.1473;-2,1.3923,-.1735;-2.1756,.6731,-2.5295;-1.3812,2.5947,-.4854;-2.6175,1.2206,1.0585;-1.3939,3.635,.4322;-2.6222,2.2664,1.9676;-2.0185,3.4756,1.6648;-.3089,5.6594,.971;-.717,6.9827,.9272;.63,5.2369,1.9034;-.1777,7.8925,1.8248;1.1536,6.1536,2.8009;.7531,7.482,2.7667;.1629,-3.9332,.3484;1.4085,-1.5945,-1.2436;.0777,-2.5076,2.287;1.2543,-1.2214,2.5405;1.6917,-2.8956,2.8705;3.3791,-1.1617,1.1079;3.5231,-2.1626,-.3257;3.7032,-2.8871,1.2689;2.6183,-3.8241,-1.5618;-2.7445,-.4778,-.8972;-.9018,2.7452,-1.4454;-3.0835,.2772,1.3079;-3.1094,2.1438,2.9255;-2.0434,4.2878,2.3793;-1.4457,7.293,.19;.9515,4.2033,1.9249;-.494,8.9265,1.7885;1.8854,5.8267,3.5275;1.1683,8.193,3.4681; 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 2648.3428208423 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 7.016e-06 Time for diagonalization 0.265 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.266 sec Total time needed 0.538 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:.3995,-6.5141,-.4537;2.5779,-6.4719,-2.3433;-.683,-.3972,-1.1374;-1.3843,-1.8051,.4576;-.8189,4.8005,.0368;-2.37,1.0058,-3.6113;1.6614,-2.409,.7916;1.0364,-3.4558,-.0807;.8388,-1.9856,-.4083;1.129,-2.2492,2.1953;3.1458,-2.1444,.696;1.8161,-4.2901,-1.0032;-.5197,-1.4206,-.2821;1.6166,-5.5831,-1.2298;-1.9587,.2412,-1.1473;-2,1.3923,-.1735;-2.1756,.6731,-2.5295;-1.3812,2.5947,-.4854;-2.6175,1.2206,1.0585;-1.3939,3.635,.4322;-2.6222,2.2664,1.9676;-2.0185,3.4756,1.6648;-.3089,5.6594,.971;-.7171,6.9827,.9272;.63,5.2369,1.9034;-.1777,7.8925,1.8248;1.1535,6.1536,2.8009;.7531,7.482,2.7667;.1629,-3.9332,.3484;1.4085,-1.5945,-1.2436;.0777,-2.5076,2.287;1.2543,-1.2214,2.5405;1.6917,-2.8956,2.8705;3.3791,-1.1617,1.1079;3.5231,-2.1626,-.3257;3.7032,-2.8871,1.2689;2.6183,-3.8241,-1.5618;-2.7445,-.4778,-.8972;-.9018,2.7452,-1.4454;-3.0835,.2772,1.3079;-3.1094,2.1438,2.9255;-2.0434,4.2878,2.3793;-1.4457,7.293,.19;.9515,4.2033,1.9249;-.494,8.9265,1.7885;1.8854,5.8267,3.5275;1.1683,8.193,3.4681; 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:.3995,-6.5141,-.4537;2.5779,-6.4719,-2.3433;-.683,-.3972,-1.1374;-1.3843,-1.8051,.4576;-.8189,4.8005,.0368;-2.37,1.0058,-3.6113;1.6614,-2.409,.7916;1.0364,-3.4558,-.0807;.8388,-1.9856,-.4083;1.129,-2.2492,2.1953;3.1458,-2.1444,.696;1.8161,-4.2901,-1.0032;-.5197,-1.4206,-.2821;1.6166,-5.5831,-1.2298;-1.9587,.2412,-1.1473;-2,1.3923,-.1735;-2.1756,.6731,-2.5295;-1.3812,2.5947,-.4854;-2.6175,1.2206,1.0585;-1.3939,3.635,.4322;-2.6222,2.2664,1.9676;-2.0185,3.4756,1.6648;-.3089,5.6594,.971;-.717,6.9827,.9272;.63,5.2369,1.9034;-.1777,7.8925,1.8248;1.1536,6.1536,2.8009;.7531,7.482,2.7667;.1629,-3.9332,.3484;1.4085,-1.5945,-1.2436;.0777,-2.5076,2.287;1.2543,-1.2214,2.5405;1.6917,-2.8956,2.8705;3.3791,-1.1617,1.1079;3.5231,-2.1626,-.3257;3.7032,-2.8871,1.2689;2.6183,-3.8241,-1.5618;-2.7445,-.4778,-.8972;-.9018,2.7452,-1.4454;-3.0835,.2772,1.3079;-3.1094,2.1438,2.9255;-2.0434,4.2878,2.3793;-1.4457,7.293,.19;.9515,4.2033,1.9249;-.494,8.9265,1.7885;1.8854,5.8267,3.5275;1.1683,8.193,3.4681; -2050.66179701 2648.34282084 -4699.00461785 -8071.86736238 3372.86274452 -4095.19262226 2044.53082525 2.00299872 108.000160837967 108.000160837967 216.000321675935 -151.870228901904 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 -2765.7248 -2765.6685 -525.3453 -524.7702 -523.4533 -392.7487 -283.8105 -282.9930 -282.9895 -281.9293 -281.7198 -280.9957 -280.9590 -280.7115 -280.7007 -280.6952 -280.6136 -280.2582 -280.1764 -280.1762 -280.1388 -280.1132 -280.1074 -280.0728 -280.0073 -279.9608 -279.9127 -279.6592 -260.9932 -260.9363 -199.8364 -199.7816 -199.5882 -199.5807 -199.5289 -199.5242 -34.2484 -33.2058 -31.6738 -28.5806 -28.2561 -27.9694 -27.3901 -26.9126 -26.0847 -25.5512 -24.4915 -24.3712 -23.9804 -23.8469 -23.3686 -23.2604 -22.4273 -21.4538 -20.7926 -20.4024 -20.0292 -19.4990 -19.2150 -18.7420 -18.4743 -18.3303 -17.6523 -17.2172 -17.2021 -16.5439 -16.5373 -16.4193 -16.2499 -16.1242 -15.9969 -15.7052 -15.1838 -15.0800 -15.0313 -14.8711 -14.6766 -14.6106 -14.3087 -14.2197 -14.1209 -14.0645 -13.8445 -13.5713 -13.4583 -13.2571 -13.1896 -13.1648 -12.9916 -12.8042 -12.7541 -12.4966 -12.4183 -12.1891 -12.1505 -12.0299 -11.9541 -11.7868 -11.6732 -11.5156 -11.2721 -10.8722 -10.6898 -9.9006 -9.6786 -9.5754 -9.0799 -8.7293 0.7664 1.1522 1.2629 1.4719 1.7797 2.0479 2.4775 2.6636 2.7372 2.9850 3.0478 3.4215 3.5466 3.7495 3.9421 4.0313 4.2435 4.3098 4.4368 4.5084 4.5856 4.6415 4.7993 4.8370 4.9551 5.1025 5.1599 5.3236 5.5873 5.6433 5.7321 5.8209 5.8316 5.9284 6.1024 6.2741 6.3598 6.4246 6.6801 6.8793 7.0308 7.1454 7.2734 7.3050 7.4667 7.5448 7.6298 7.7089 7.7334 7.8013 7.8648 7.9837 8.0470 8.0988 8.2473 8.3724 8.4292 8.5121 8.6485 8.7172 8.8882 9.0418 9.1599 9.2164 9.2675 9.4808 9.5647 9.6943 9.7449 9.8249 9.9377 10.0002 10.0224 10.2621 10.3083 10.4644 10.5387 10.6468 10.7694 10.8492 10.9541 11.0421 11.2040 11.3162 11.4193 11.4927 11.5132 11.5888 11.6925 11.7123 11.7483 11.8453 11.9380 12.0102 12.0698 12.2258 12.3469 12.4265 12.4704 12.5829 12.6452 12.6805 12.8422 12.8793 12.9858 13.0911 13.1152 13.2177 13.4404 13.4849 13.5787 13.5947 13.6431 13.7376 13.8267 13.9287 14.0809 14.1213 14.1492 14.2192 14.3265 14.4871 14.5927 14.6601 14.7443 14.8798 15.0688 15.1373 15.1914 15.2935 15.3317 15.4419 15.5268 15.5885 15.6573 15.7294 15.8664 15.9588 16.0257 16.1862 16.2404 16.2935 16.4561 16.4818 16.6188 16.7019 16.8484 17.0082 17.1562 17.3379 17.4890 17.5252 17.6922 17.7618 17.9621 18.0489 18.2516 18.5027 18.5316 18.5644 18.7810 19.0252 19.0386 19.2060 19.4166 19.5926 19.6345 19.8889 19.9777 20.1674 20.2015 20.2976 20.3079 20.3573 20.5397 20.5916 20.7800 20.9512 20.9936 21.1538 21.2634 21.2974 21.5013 21.5414 21.7107 21.7742 21.9098 22.1151 22.1309 22.3609 22.5852 22.6896 22.8731 22.9882 23.1358 23.3018 23.3591 23.4054 23.6518 23.7796 23.8866 23.9576 24.1560 24.2290 24.4066 24.5600 24.7501 24.8160 24.9081 25.1183 25.2029 25.5648 25.9185 26.0512 26.1944 26.3529 26.4148 26.5078 26.7762 26.8332 27.0678 27.1256 27.2581 27.4156 27.4686 27.6364 27.8321 27.9641 28.1709 28.3929 28.4479 28.4976 28.5794 28.7181 28.9012 29.0197 29.1456 29.1930 29.3130 29.4823 29.5435 29.8964 29.9399 30.1111 30.2227 30.2888 30.4252 30.4714 30.5925 30.7385 30.9298 31.1676 31.2444 31.3399 31.5864 31.7738 31.8148 32.0029 32.1913 32.3445 32.4217 32.4884 32.6294 32.7844 32.8042 32.9608 33.4069 33.4513 33.6421 33.8239 33.8532 33.9811 34.1337 34.2818 34.3611 34.5391 34.7073 34.9689 34.9931 35.0895 35.3032 35.4107 35.5609 35.6869 35.8560 35.9253 35.9738 36.2059 36.3702 36.4433 36.6297 36.7239 36.8016 36.9160 37.0851 37.3141 37.3702 37.5309 37.7398 37.7825 37.9236 37.9666 38.0215 38.2224 38.2702 38.4717 38.5903 38.6584 38.8705 38.9009 39.0634 39.1798 39.2652 39.5084 39.5635 39.7618 39.9609 40.3066 40.3989 40.5334 40.5981 40.6917 40.8582 40.8887 41.0503 41.2986 41.6061 41.6981 41.7966 41.8810 41.9417 42.0235 42.3352 42.4008 42.5008 42.8317 42.8544 43.0376 43.2415 43.3347 43.5018 43.6087 43.6645 43.7425 43.8526 43.9372 44.0465 44.1346 44.2172 44.3487 44.5293 44.6943 44.9486 45.0297 45.2463 45.4493 45.5596 45.6288 45.8867 46.0734 46.2202 46.3872 46.4136 46.6890 46.8593 46.9848 47.1938 47.2974 47.4025 47.6475 47.7944 47.9006 48.1523 48.2195 48.3189 48.4351 48.8968 48.9808 49.1137 49.2497 49.5446 49.6704 49.8504 50.0060 50.3187 50.5269 50.6464 50.7050 50.8927 51.0560 51.0914 51.3355 51.4208 51.4465 51.6023 51.8485 51.9814 52.0798 52.3460 52.3689 52.4934 52.6522 53.0475 53.0768 53.1980 53.2307 53.6010 53.9544 54.1602 54.3393 54.7814 55.0338 55.1347 55.1629 55.4664 55.6820 55.8408 56.0648 56.1852 56.2502 56.7655 56.9042 56.9968 57.1354 57.2242 57.3293 57.7721 57.9106 58.1223 58.2083 58.3983 58.6085 58.7362 58.7705 59.0974 59.2167 59.3493 59.3822 59.6202 59.7954 59.9142 60.1572 60.2329 60.4445 60.6336 61.2620 61.3313 61.6065 61.7013 61.7813 62.0092 62.2831 62.8446 62.9590 63.0194 63.1011 63.2652 63.3577 63.6127 63.7047 63.8295 64.1054 64.3962 64.5381 64.6884 64.7257 65.0355 65.3155 65.3937 65.5513 65.6782 65.9110 66.0137 66.1812 66.5676 66.8780 66.9343 67.2109 67.3938 67.5692 67.6442 67.7440 67.9760 68.4587 68.5418 68.7341 68.9859 69.0468 69.4655 69.5850 70.0930 70.2158 70.6184 71.0416 71.2963 71.6539 71.8529 71.9565 72.5019 72.6343 72.8168 73.0308 73.3383 73.6011 73.8362 73.9553 74.2136 74.3160 74.4508 74.6093 74.8182 74.8530 75.0745 75.1877 75.4972 75.6497 75.8942 76.2231 76.3862 76.6395 76.7499 76.8228 77.0976 77.2667 77.3730 77.5493 77.7433 77.7968 77.9464 78.0430 78.1343 78.1674 78.4197 78.6047 78.7474 78.8673 78.9458 79.0264 79.2403 79.3246 79.3598 79.5396 79.5614 79.6645 79.8857 80.1443 80.2823 80.4054 80.9212 80.9492 81.0910 81.3083 81.3438 81.4090 81.6348 81.7580 81.8762 82.0243 82.1222 82.1686 82.3222 82.6286 82.7006 82.7681 82.9372 83.0662 83.1588 83.4883 83.5450 83.5803 83.8215 84.1031 84.1903 84.3775 84.4427 84.5559 84.6752 84.9225 85.0316 85.0486 85.2187 85.2698 85.2802 85.4100 85.5557 85.6795 85.8063 85.8542 85.9579 86.1279 86.2598 86.3801 86.4777 86.6604 86.9851 87.2133 87.3249 87.5420 87.6304 87.7405 87.9365 88.0187 88.1370 88.3927 88.4441 88.5096 88.5830 88.6949 88.8406 88.8965 88.9467 89.0302 89.2230 89.3227 89.4466 89.5956 89.6572 89.7194 89.8533 90.1783 90.2418 90.5020 90.6755 90.8139 91.0074 91.0368 91.0613 91.2269 91.2831 91.7428 91.9598 92.0762 92.1588 92.1914 92.2856 92.4720 92.5185 92.6238 92.7859 92.9238 93.0289 93.1815 93.2448 93.3091 93.3685 93.6242 93.6998 93.8312 94.0455 94.1821 94.2914 94.3906 94.3969 94.5207 94.7135 94.7647 94.9695 95.1195 95.2748 95.3294 95.4692 95.4930 95.7014 95.9095 95.9981 96.1843 96.4400 96.5890 96.6367 96.8690 96.9460 97.1241 97.2655 97.4016 97.4968 97.7009 97.8860 97.9433 97.9923 98.2397 98.2954 98.3543 98.5462 98.6567 98.7806 98.9440 99.2891 99.4901 99.5053 99.6687 100.0785 100.2080 100.3238 100.4201 100.6132 101.0072 101.1215 101.3190 101.4369 101.9224 101.9550 102.1811 102.4701 102.6226 102.6880 102.8020 103.2597 103.4127 103.5998 103.8962 104.0484 104.2248 104.3696 104.5255 104.6188 104.9236 105.0202 105.2333 105.2760 105.3223 105.3797 105.4698 105.7407 105.8591 105.9218 106.1463 106.3010 106.3874 106.5195 106.5973 106.6981 107.0052 107.1001 107.2539 107.3600 107.6402 107.7771 107.9929 108.2207 108.4125 108.4509 108.7318 108.9980 109.1212 109.2771 109.4322 109.5821 109.8010 109.9496 110.1265 110.3965 110.5872 110.6639 110.7243 110.7974 110.9046 111.0906 111.1300 111.2706 111.3418 111.4708 111.9353 112.0176 112.1842 112.4269 112.5332 112.8617 113.1189 113.2371 113.3982 113.5023 113.8932 113.9575 114.1554 114.2596 114.3329 114.4651 114.7680 114.9866 115.0725 115.2602 115.5621 115.6731 116.0134 116.1195 116.2069 116.3230 116.4010 116.5145 116.7438 116.8080 116.9364 117.1098 117.2563 117.4038 117.5686 117.6181 117.6931 117.9335 118.0379 118.2055 118.2683 118.3707 118.4661 118.6880 118.8187 118.9382 119.1493 119.5326 119.6454 119.7981 119.8550 120.0510 120.1830 120.4594 120.5147 120.8252 120.9970 121.1766 121.4236 121.6774 121.8966 122.0193 122.2665 122.8100 122.8847 123.1739 123.2675 123.3685 123.6231 123.8998 124.1229 124.3868 125.1861 125.2414 125.5356 125.8372 125.9512 126.2993 126.3767 126.6101 127.0098 127.3817 127.6884 127.8854 128.0705 128.3115 128.5262 128.7017 128.8034 128.9638 129.1226 129.4133 129.6274 129.7362 130.0567 130.1146 130.3297 130.4389 130.5540 130.8569 131.0483 131.2753 131.5555 131.5943 131.8896 131.9488 132.1196 132.3545 132.6312 132.7479 132.8818 132.9580 133.8976 134.1249 134.3234 134.6456 134.7420 134.8270 135.2063 135.3002 135.9527 136.1614 136.4362 136.6735 137.2938 137.8317 137.9087 138.0044 138.2323 138.2847 138.6228 138.7893 139.1269 139.2391 140.0104 140.3122 140.5705 140.9626 140.9978 141.3415 141.7454 141.9395 142.6670 142.8698 143.6971 143.8339 143.9486 143.9761 144.0337 144.2173 144.3075 144.9113 144.9499 145.3256 145.5061 145.6477 145.8766 146.0657 146.3765 146.6342 146.8752 147.0903 147.3955 147.5570 147.8939 148.0419 148.1173 148.6410 148.7825 149.2134 149.3821 149.7515 150.0129 150.1055 150.3513 150.7130 151.2090 151.6956 151.9926 152.0916 152.1233 152.5038 153.2906 153.4490 154.2538 154.6359 154.8188 155.2488 155.6626 156.1889 156.3853 156.8988 157.0560 157.2743 157.4113 157.4184 158.3934 158.8543 159.0777 159.2278 159.3633 159.5444 160.3248 160.7522 161.5511 161.5909 161.7496 162.0777 163.4944 163.9372 164.4830 165.5963 167.0762 167.9982 168.9102 169.6500 172.2979 172.5173 172.6120 173.0957 173.9162 175.6926 177.3445 178.7414 179.3642 181.0944 182.2147 184.9512 185.5871 186.6153 187.2599 189.0059 189.8054 191.8399 192.5332 193.4961 195.8863 196.1986 198.6560 201.7654 204.6473 206.4670 206.5718 221.2978 221.6455 222.3549 222.8884 222.9014 223.4892 225.7220 225.9434 227.8895 229.3107 294.4624 294.7325 295.6784 297.0980 308.5353 313.3170 608.8352 617.8960 620.1655 625.2582 628.8021 631.2124 631.4340 632.2026 633.9283 634.4282 635.0791 635.1798 636.4267 636.6325 637.4504 639.2315 641.7145 642.4633 646.8327 650.0728 657.1611 658.0293 702.1436 708.0652 876.7141 1200.1763 1212.7344 1215.0783 -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 -0.038931 -0.043083 -0.259464 -0.388922 -0.292390 -0.001593 0.068410 0.039143 -0.099133 -0.247648 -0.242892 -0.202017 0.371422 0.052467 0.325285 -0.007720 -0.261307 -0.186218 -0.127172 0.193263 -0.123653 -0.144501 0.218026 -0.188492 -0.155331 -0.100831 -0.116796 -0.133619 0.087155 0.083009 0.102566 0.087372 0.090003 0.093521 0.073939 0.099887 0.097497 0.121720 0.122118 0.124669 0.130841 0.135066 0.128480 0.132210 0.128125 0.127684 0.127836 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 17.0389 17.0431 8.2595 8.3889 8.2924 7.0016 5.9316 5.9609 6.0991 6.2476 6.2429 6.2020 5.6286 5.9475 5.6747 6.0077 6.2613 6.1862 6.1272 5.8067 6.1237 6.1445 5.7820 6.1885 6.1553 6.1008 6.1168 6.1336 0.9128 0.9170 0.8974 0.9126 0.9100 0.9065 0.9261 0.9001 0.9025 0.8783 0.8779 0.8753 0.8692 0.8649 0.8715 0.8678 0.8719 0.8723 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 -0.0389 -0.0431 -0.2595 -0.3889 -0.2924 -0.0016 0.0684 0.0391 -0.0991 -0.2476 -0.2429 -0.2020 0.3714 0.0525 0.3253 -0.0077 -0.2613 -0.1862 -0.1272 0.1933 -0.1237 -0.1445 0.2180 -0.1885 -0.1553 -0.1008 -0.1168 -0.1336 0.0872 0.0830 0.1026 0.0874 0.0900 0.0935 0.0739 0.0999 0.0975 0.1217 0.1221 0.1247 0.1308 0.1351 0.1285 0.1322 0.1281 0.1277 0.1278 1.2883 1.2621 2.1352 2.1113 2.1119 3.1155 3.7520 3.8336 3.8806 3.9137 3.9111 3.9231 4.2152 4.2520 3.8144 3.7205 4.0279 4.0986 3.9687 3.9130 3.9778 3.9287 3.8216 4.0336 3.9587 3.9366 3.9438 3.9532 1.0496 1.0354 1.0217 1.0019 1.0011 1.0042 1.0103 1.0023 1.0307 1.0192 1.0290 1.0210 1.0011 1.0039 1.0122 1.0031 0.9988 0.9998 0.9999 1.2883 1.2621 2.1352 2.1113 2.1119 3.1155 3.7520 3.8336 3.8806 3.9137 3.9111 3.9231 4.2152 4.2520 3.8144 3.7205 4.0279 4.0986 3.9687 3.9130 3.9778 3.9287 3.8216 4.0336 3.9587 3.9366 3.9438 3.9532 1.0496 1.0354 1.0217 1.0019 1.0011 1.0042 1.0103 1.0023 1.0307 1.0192 1.0290 1.0210 1.0011 1.0039 1.0122 1.0031 0.9988 0.9998 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 1.1966 1.1555 1.1441 0.8568 1.9160 1.0074 0.9261 3.0571 0.9082 0.8664 0.9639 0.9551 0.9038 1.0250 0.9896 1.0477 1.0178 0.9833 0.9899 0.9889 0.9885 0.9869 0.9941 1.8704 0.9528 0.9343 0.9133 1.0001 1.4353 1.3501 1.4604 0.9365 1.4617 0.9729 1.3593 1.4349 0.9708 0.9595 1.4315 1.3794 1.4327 0.9707 1.4335 0.9663 1.4305 0.9732 1.4288 0.9721 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 -0.022587460 -2050.684384469499 4.00667 -3.08826 0.91841 37.63197 -36.85340 0.77857 24.26207 -22.30381 1.95826 2.29879 5.84306