Orca 5.0.2 RELEASE 1 2 3 4 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 Cl Cl O O O 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 H 1 1 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-1.4116,1.0608,2.7587;-2.1174,-1.1759,1.0791;1.1802,3.1963,-.5682;-.2134,1.9051,-1.7439;2.6183,-2.4853,-1.0861;-2.4959,3.7458,-.7882;-2.2347,2.8301,.3639;-1.0805,3.5997,-.2874;-3.1515,5.0657,-.4482;-2.9303,3.216,-2.1333;-2.31,1.3627,.2473;-.0352,2.807,-.9708;-1.9893,.5307,1.2291;2.2648,2.3511,-.9447;2.1995,1.0182,-.2499;2.401,-.1497,-.9701;1.9308,.9462,1.1124;2.3601,-1.3797,-.3309;1.876,-.2881,1.7395;2.0978,-1.4571,1.0303;1.8737,-3.6151,-.9128;2.5281,-4.8307,-1.052;.5075,-3.5753,-.66;1.8109,-6.0114,-.9378;-.1939,-4.7645,-.538;.4497,-5.986,-.673;-2.4994,3.2123,1.3441;-.6954,4.4254,.2996;-4.2377,4.9629,-.4357;-2.8438,5.439,.5296;-2.8967,5.8266,-1.1876;-2.6914,3.9406,-2.913;-2.4606,2.2791,-2.4138;-4.0127,3.0756,-2.1367;-2.644,.9197,-.6809;2.3003,2.2211,-2.0285;3.1567,2.9016,-.6432;2.5744,-.1148,-2.0385;1.7526,1.8469,1.6852;1.6596,-.3437,2.7978;2.0594,-2.4155,1.5312;3.5913,-4.8436,-1.2524;-.007,-2.6283,-.5595;2.3252,-6.957,-1.0484;-1.2572,-4.7309,-.3394;-.1055,-6.9091,-.577; 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 1498 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 204 Dim 1108 ENuc 2648.4244464487 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 6.485e-06 Time for diagonalization 0.432 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.207 sec Total time needed 0.645 sec 17 17 8 8 8 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 1 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-1.4116,1.0608,2.7587;-2.1174,-1.1759,1.0791;1.1802,3.1963,-.5682;-.2134,1.9051,-1.7439;2.6183,-2.4853,-1.0861;-2.4959,3.7458,-.7882;-2.2347,2.8301,.3639;-1.0805,3.5997,-.2874;-3.1515,5.0657,-.4482;-2.9303,3.216,-2.1333;-2.31,1.3627,.2473;-.0352,2.807,-.9708;-1.9893,.5307,1.2291;2.2648,2.3511,-.9447;2.1995,1.0182,-.2499;2.401,-.1497,-.9701;1.9308,.9462,1.1124;2.3601,-1.3797,-.3309;1.876,-.2881,1.7395;2.0978,-1.4571,1.0303;1.8737,-3.6151,-.9128;2.5281,-4.8307,-1.052;.5075,-3.5753,-.66;1.8109,-6.0114,-.9378;-.1939,-4.7645,-.538;.4497,-5.986,-.673;-2.4994,3.2123,1.3441;-.6954,4.4254,.2996;-4.2377,4.9629,-.4357;-2.8438,5.439,.5296;-2.8967,5.8266,-1.1876;-2.6914,3.9406,-2.913;-2.4606,2.2791,-2.4138;-4.0127,3.0756,-2.1367;-2.644,.9197,-.6809;2.3003,2.2211,-2.0285;3.1567,2.9016,-.6432;2.5744,-.1148,-2.0385;1.7526,1.8469,1.6852;1.6596,-.3437,2.7978;2.0594,-2.4155,1.5312;3.5913,-4.8436,-1.2524;-.007,-2.6283,-.5595;2.3252,-6.957,-1.0484;-1.2572,-4.7309,-.3394;-.1055,-6.9091,-.577; 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 4 371.1288999999997 AuxInfo=1/0/N:9,10,26,24,25,19,17,22,23,20,16,11,14,15,21,18,7,13,8,12,6,1,2,4,3,5/E:(1,2)(4,5)(8,9)(22,23)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,18.3,20.3,24.1/rA:46nClClOO1OCCCCCC3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s3s4s8;s1s2s11;s3;s14;s15;s15;s5s16;s17;s18s19;s5;s21;s21;s22;s23;s24s25;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s17;s19;s20;s22;s23;s24;s25;s26;/rC:-1.4116,1.0608,2.7587;-2.1174,-1.1759,1.0791;1.1802,3.1963,-.5682;-.2134,1.9051,-1.7439;2.6183,-2.4853,-1.0861;-2.4959,3.7458,-.7882;-2.2347,2.8301,.3639;-1.0805,3.5997,-.2874;-3.1515,5.0657,-.4482;-2.9303,3.216,-2.1333;-2.31,1.3627,.2473;-.0352,2.807,-.9708;-1.9893,.5307,1.2291;2.2648,2.3511,-.9447;2.1995,1.0182,-.2499;2.401,-.1497,-.9701;1.9308,.9462,1.1124;2.3601,-1.3797,-.3309;1.876,-.2881,1.7395;2.0978,-1.4571,1.0303;1.8737,-3.6151,-.9128;2.5281,-4.8307,-1.052;.5075,-3.5753,-.66;1.8109,-6.0114,-.9378;-.1939,-4.7645,-.538;.4497,-5.986,-.673;-2.4994,3.2123,1.3441;-.6954,4.4254,.2996;-4.2377,4.9629,-.4357;-2.8438,5.439,.5296;-2.8967,5.8266,-1.1876;-2.6914,3.9406,-2.913;-2.4606,2.2791,-2.4138;-4.0127,3.0756,-2.1367;-2.644,.9197,-.6809;2.3003,2.2211,-2.0285;3.1567,2.9016,-.6432;2.5744,-.1148,-2.0385;1.7526,1.8469,1.6852;1.6596,-.3437,2.7978;2.0594,-2.4155,1.5312;3.5913,-4.8436,-1.2524;-.007,-2.6283,-.5595;2.3252,-6.957,-1.0484;-1.2572,-4.7309,-.3394;-.1055,-6.9091,-.577; -1958.42234627 2648.42444645 -4606.84679272 -7950.51707345 3343.67028073 -3911.05140355 1952.62905727 2.00296692 102.000074033918 102.000074033918 204.000148067836 -143.518067443474 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.6357 -2765.5661 -524.6925 -524.3927 -522.9566 -283.2916 -282.8017 -281.4279 -281.4079 -281.3983 -280.7111 -280.5898 -280.4127 -280.3758 -280.0989 -279.8134 -279.7733 -279.7715 -279.7189 -279.6915 -279.6827 -279.6431 -279.6332 -279.6206 -279.5807 -279.4913 -260.9040 -260.8327 -199.7453 -199.6777 -199.5009 -199.4923 -199.4259 -199.4212 -33.6412 -32.8051 -31.0830 -28.4368 -27.7276 -26.9038 -26.4918 -25.9776 -24.6345 -24.1952 -24.0443 -23.5963 -23.4468 -22.9352 -22.5881 -22.2292 -20.8381 -20.3514 -19.7798 -19.5462 -19.2476 -18.6957 -18.1295 -17.9594 -17.3659 -17.0659 -16.7980 -16.3615 -16.3010 -16.0759 -16.0229 -15.7679 -15.6321 -15.5073 -15.1683 -14.9039 -14.7141 -14.6394 -14.4567 -14.3729 -14.2423 -13.9334 -13.8348 -13.7764 -13.5632 -13.3901 -13.2569 -13.1128 -12.8980 -12.6929 -12.4623 -12.3764 -12.2729 -12.1177 -11.9218 -11.8398 -11.7353 -11.5735 -11.2701 -11.1099 -11.0023 -10.5351 -10.3376 -9.4463 -9.2608 -9.2012 -8.9329 -8.2600 1.2482 1.4409 1.6366 1.9516 2.1638 2.3876 2.5503 3.0528 3.3201 3.5892 3.6991 3.9228 4.0484 4.1777 4.3402 4.4773 4.6193 4.6591 4.6912 4.7895 4.9464 5.1015 5.1504 5.2195 5.4054 5.5763 5.7621 5.9355 5.9686 6.2153 6.2491 6.2824 6.4293 6.4878 6.5881 6.7336 6.8892 6.9262 7.1024 7.1975 7.3522 7.6061 7.6363 7.7715 7.8120 7.8339 7.9512 8.0346 8.1059 8.2504 8.3131 8.5578 8.6803 8.7297 8.8068 8.8314 8.9843 9.1725 9.2598 9.4738 9.5312 9.5666 9.6747 9.7615 9.9155 9.9644 10.0991 10.3140 10.4219 10.5802 10.5883 10.8142 10.8760 10.9910 11.0401 11.2637 11.4176 11.4565 11.5328 11.6871 11.7639 11.8359 11.8691 11.9821 12.1255 12.1464 12.2912 12.4137 12.5008 12.6878 12.7193 12.7738 12.8948 12.9715 13.0657 13.1212 13.1882 13.2895 13.3467 13.3669 13.5032 13.5568 13.7036 13.7422 13.8224 13.8573 14.0317 14.1401 14.2079 14.3005 14.3975 14.4834 14.5474 14.5966 14.6459 14.8078 14.8358 14.8930 15.1285 15.1575 15.3013 15.3282 15.4575 15.4822 15.6317 15.7149 15.8096 15.8813 15.9764 16.1160 16.1983 16.3968 16.5151 16.5719 16.6841 16.8299 16.8962 16.9678 17.0467 17.3664 17.4420 17.6145 17.7579 17.8108 17.9806 18.0806 18.3525 18.5842 18.7531 19.0534 19.1062 19.2083 19.3674 19.4114 19.5330 19.6356 19.8900 20.0530 20.1808 20.3063 20.4536 20.5849 20.6297 20.7864 20.8825 21.1140 21.1805 21.3213 21.4563 21.5926 21.6762 21.7560 21.8558 21.9228 21.9936 22.2704 22.4053 22.5635 22.6670 22.8740 22.8999 23.1351 23.2097 23.3776 23.5339 23.7124 23.8364 23.8760 23.9794 24.3358 24.4122 24.5013 24.5949 24.7009 24.9167 24.9704 25.1778 25.3036 25.5250 25.6039 25.9008 25.9705 26.0743 26.3089 26.4956 26.6805 26.7992 26.9630 27.1758 27.3145 27.4688 27.5061 27.6246 27.8153 27.9716 28.0425 28.3807 28.4474 28.6861 28.7427 28.9842 29.0298 29.2564 29.2799 29.4432 29.5083 29.6032 29.7538 29.9779 30.0928 30.2096 30.3271 30.4503 30.6128 30.7872 30.9384 31.0405 31.1693 31.3193 31.5051 31.7612 31.8447 31.8757 32.0121 32.1645 32.2537 32.3431 32.4554 32.7332 32.7685 33.0120 33.2788 33.4249 33.4867 33.7792 33.9028 34.1430 34.2395 34.3232 34.3956 34.5845 34.7363 35.0422 35.0948 35.1821 35.2835 35.3698 35.4459 35.6724 35.9196 36.0499 36.1352 36.1663 36.2461 36.3247 36.7576 36.8826 37.0050 37.2237 37.3910 37.5109 37.6339 37.7279 37.8488 38.0484 38.1660 38.3060 38.3842 38.4978 38.6390 38.7851 38.9368 39.0177 39.1886 39.2641 39.3646 39.4439 39.8073 39.9068 40.0603 40.1841 40.4539 40.4876 40.5660 40.8177 40.9309 41.0615 41.3029 41.3846 41.4192 41.5465 41.8176 42.0677 42.1304 42.1724 42.3500 42.5667 42.6847 42.8263 43.0408 43.0995 43.3046 43.3538 43.5149 43.6191 43.7638 43.9537 44.0249 44.1753 44.2770 44.5534 44.9047 44.9965 45.0308 45.1905 45.3710 45.4385 45.5816 45.7447 46.0333 46.2019 46.3771 46.4476 46.5350 46.5907 46.6889 46.9642 47.1042 47.1884 47.4196 47.5590 47.8503 48.0772 48.2703 48.4284 48.6149 48.7005 48.9769 49.2082 49.2934 49.5922 49.6765 49.8465 49.9721 50.2949 50.3817 50.5039 50.6855 50.7478 50.8422 51.3960 51.5309 51.5813 51.7780 51.8530 51.9824 52.2084 52.2671 52.5035 52.8264 52.8870 53.0659 53.2011 53.2858 53.3631 53.5978 54.1068 54.3234 54.4765 54.6682 54.6970 54.8704 55.2147 55.2704 55.6483 56.0810 56.1777 56.3055 56.4970 56.6694 56.7776 56.9665 57.2535 57.4004 57.5445 57.6172 57.8434 57.9902 58.0610 58.2928 58.3794 58.6425 59.0256 59.1105 59.2933 59.3869 59.5999 59.6714 59.7690 59.9959 60.1726 60.2832 60.6140 60.9631 61.1066 61.3911 61.7837 61.8222 61.9838 62.1423 62.7037 62.8846 63.2760 63.3698 63.5218 63.7387 64.0722 64.3983 64.5047 64.5383 64.8202 65.0484 65.1410 65.2216 65.4565 65.4982 65.6091 65.8738 66.1159 66.1912 66.4490 66.6945 66.8487 66.9110 67.1834 67.4008 67.6744 67.7741 67.9772 68.1114 68.2215 68.7564 68.9717 69.2573 69.3759 69.6903 69.7714 69.9856 70.2775 70.6082 70.6993 71.0381 71.6294 71.7791 71.9063 72.2066 72.7329 72.8524 72.9793 73.4315 73.6154 73.7177 74.0035 74.3335 74.7128 74.8343 74.9040 75.2837 75.6730 75.9400 76.2239 76.3384 76.4278 76.6915 76.7617 76.9780 77.1129 77.1474 77.3062 77.4391 77.6875 77.7954 77.8450 78.0746 78.1067 78.3638 78.4600 78.6886 78.7677 79.1024 79.2616 79.3582 79.4286 79.5757 79.7007 79.7174 79.8422 79.9375 80.1753 80.3691 80.5914 80.7601 80.9799 81.1724 81.3865 81.6205 81.6470 81.9222 82.0386 82.1789 82.4028 82.4589 82.6045 82.7451 82.9393 83.0686 83.0915 83.1878 83.4415 83.5800 83.7007 83.9008 84.0835 84.1998 84.3283 84.4634 84.7483 84.7780 84.9318 85.0253 85.2147 85.2983 85.4984 85.6404 85.6553 85.8408 86.0658 86.1546 86.2070 86.2398 86.3902 86.5065 86.6068 86.6567 86.8808 86.9970 87.1209 87.2066 87.5364 87.7508 87.9441 87.9549 88.0161 88.1969 88.3050 88.4135 88.5823 88.6518 88.7655 88.8965 89.0049 89.2155 89.4491 89.6046 89.7242 89.8200 89.8826 89.9440 90.0016 90.1778 90.3535 90.6318 90.7388 90.9643 91.1432 91.2402 91.3441 91.6728 91.8393 91.9083 92.0387 92.1449 92.4136 92.4433 92.5915 92.6184 92.8564 93.0362 93.0631 93.1836 93.4115 93.4994 93.5567 93.6608 93.8024 93.8919 94.0475 94.2174 94.2618 94.4686 94.6555 94.7350 94.8929 94.9983 95.2483 95.3286 95.3890 95.4744 95.6121 95.6993 95.8255 95.9102 96.0618 96.1560 96.4356 96.4913 96.6248 96.7320 96.8745 97.1719 97.3506 97.3853 97.5066 97.6893 97.8325 97.8969 98.1996 98.2844 98.3912 98.5426 98.8345 98.8834 99.2413 99.3633 99.5121 99.6150 99.7923 99.9264 99.9982 100.1447 100.2981 100.6186 100.6909 100.7881 100.9334 101.3022 101.5544 101.6676 101.9242 101.9622 102.2285 102.4879 102.6884 102.8758 103.0976 103.1224 103.5110 103.7312 103.9749 104.1886 104.3849 104.4778 104.7238 104.7401 105.0591 105.1423 105.2456 105.4574 105.5262 105.6517 105.7319 105.8043 105.9753 106.2420 106.4108 106.4818 106.5833 106.8588 106.9396 107.1576 107.1718 107.3646 107.6041 107.7030 107.8053 108.0435 108.1779 108.3378 108.7031 108.7284 108.7855 109.1077 109.2867 109.4532 109.6393 109.7452 110.0454 110.2426 110.3317 110.3635 110.6797 110.9779 111.0405 111.2692 111.4399 111.5722 111.8982 112.0127 112.2863 112.3882 112.6866 112.8766 112.8902 113.1448 113.3227 113.4574 113.7170 113.7758 113.9408 114.0946 114.3496 114.5261 114.6414 114.7409 114.8506 115.0725 115.2531 115.3077 115.6597 115.8556 115.9996 116.1488 116.4107 116.5912 116.7937 116.8342 117.0711 117.1966 117.2439 117.3791 117.5765 117.6554 117.8776 118.0132 118.2239 118.3014 118.4922 118.5616 118.6071 118.9928 119.0771 119.2021 119.3137 119.4447 119.5627 119.7415 119.9043 120.1672 120.2230 120.4320 120.4648 120.7453 120.8747 121.0124 121.0786 121.2931 121.6197 121.7520 121.9141 122.2425 122.2982 122.4313 122.7064 122.9542 123.1909 123.5142 124.0010 124.0656 124.6117 124.7282 125.0006 125.4544 125.8782 126.0704 126.4598 126.5531 126.7850 127.1583 127.9215 128.1007 128.7069 128.9239 128.9995 129.1949 129.3015 129.3907 129.5807 129.8935 129.9732 130.0692 130.2096 130.5908 130.8087 130.9993 131.1801 131.3591 131.5032 131.9534 132.0722 132.2576 132.4484 132.7750 132.9454 133.0116 133.1192 133.3361 133.7063 134.0353 134.2396 134.4097 134.6878 135.0499 135.2743 135.5589 135.8532 135.9605 136.4608 136.7526 136.8998 136.9831 137.2049 137.6139 138.0528 138.2279 138.3320 138.6650 138.7661 138.9352 139.4458 139.7088 140.7531 140.8557 140.9561 141.2604 141.4858 141.8586 141.9785 142.9333 143.7576 144.0492 144.0847 144.4154 144.4895 144.6254 144.8520 145.0475 145.3053 145.4014 145.6529 145.8926 145.9765 146.4144 146.6347 146.8537 147.2868 147.6673 148.0222 148.3175 148.3813 148.5559 148.7716 149.0195 149.3461 149.6743 149.8402 150.3252 150.5198 150.6828 150.8483 151.2365 151.2830 151.5633 151.8390 152.6278 152.8083 153.1619 153.2094 153.8139 154.6022 154.8573 154.9429 155.1508 155.6454 156.1444 156.5931 156.8790 157.2825 157.3440 157.5143 158.0094 158.3464 158.4781 159.2431 159.8759 160.0183 160.2989 160.8539 161.2089 161.8675 162.6153 162.9464 164.3794 164.7705 165.2708 167.4592 168.7134 170.4376 171.9441 172.3267 172.7031 173.2389 174.7782 176.7262 177.8827 179.3538 180.3074 181.2142 182.6742 185.4298 186.5823 187.2605 187.6404 189.7444 190.1375 192.4889 192.7425 193.3878 195.9261 196.7770 199.7654 202.4667 205.2031 206.7999 207.1870 221.9862 222.4324 223.0865 223.4950 223.7643 224.2882 226.1177 226.6040 228.3531 229.8161 296.2035 296.7154 297.3245 297.8172 309.1611 314.4215 609.7913 618.1886 621.2884 624.4384 631.7349 632.2678 632.8588 634.0839 634.5601 635.4486 635.5508 636.0444 637.0482 637.9566 638.0173 640.1220 642.5129 647.2453 650.2717 657.7195 658.4462 705.9034 711.4643 1201.6513 1210.1208 1215.2394 -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 Cl Cl O O O 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 H -0.058799 -0.054811 -0.272691 -0.379879 -0.302040 0.106004 -0.058075 -0.059039 -0.234678 -0.270669 -0.138784 0.331437 0.058317 0.066702 0.059726 -0.182921 -0.218294 0.228321 -0.109190 -0.169762 0.231352 -0.207938 -0.142497 -0.094942 -0.117922 -0.142850 0.090828 0.082935 0.091549 0.073435 0.092223 0.087508 0.103089 0.093262 0.112852 0.101663 0.108799 0.103577 0.117662 0.126682 0.130685 0.122840 0.126151 0.123295 0.121527 0.123360 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 Cl Cl O O O 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 H 17.0588 17.0548 8.2727 8.3799 8.3020 5.8940 6.0581 6.0590 6.2347 6.2707 6.1388 5.6686 5.9417 5.9333 5.9403 6.1829 6.2183 5.7717 6.1092 6.1698 5.7686 6.2079 6.1425 6.0949 6.1179 6.1429 0.9092 0.9171 0.9085 0.9266 0.9078 0.9125 0.8969 0.9067 0.8871 0.8983 0.8912 0.8964 0.8823 0.8733 0.8693 0.8772 0.8738 0.8767 0.8785 0.8766 17.0000 17.0000 8.0000 8.0000 8.0000 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 1.0000 -0.0588 -0.0548 -0.2727 -0.3799 -0.3020 0.1060 -0.0581 -0.0590 -0.2347 -0.2707 -0.1388 0.3314 0.0583 0.0667 0.0597 -0.1829 -0.2183 0.2283 -0.1092 -0.1698 0.2314 -0.2079 -0.1425 -0.0949 -0.1179 -0.1429 0.0908 0.0829 0.0915 0.0734 0.0922 0.0875 0.1031 0.0933 0.1129 0.1017 0.1088 0.1036 0.1177 0.1267 0.1307 0.1228 0.1262 0.1233 0.1215 0.1234 1.2688 1.2560 2.1233 2.1048 2.1057 3.7948 3.8646 3.8425 3.8984 3.8996 3.8827 4.1830 4.1851 3.8575 3.6620 4.0804 3.9410 3.8662 3.8845 3.9595 3.8544 4.0307 3.9162 3.9384 3.9452 3.9653 1.0195 1.0313 1.0046 1.0072 1.0050 1.0040 1.0247 0.9984 1.0250 1.0099 0.9886 1.0256 1.0254 1.0062 1.0036 1.0145 1.0226 0.9989 1.0021 1.0006 1.2688 1.2560 2.1233 2.1048 2.1057 3.7948 3.8646 3.8425 3.8984 3.8996 3.8827 4.1830 4.1851 3.8575 3.6620 4.0804 3.9410 3.8662 3.8845 3.9595 3.8544 4.0307 3.9162 3.9384 3.9452 3.9653 1.0195 1.0313 1.0046 1.0072 1.0050 1.0040 1.0247 0.9984 1.0250 1.0099 0.9886 1.0256 1.0254 1.0062 1.0036 1.0145 1.0226 0.9989 1.0021 1.0006 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.1661 1.1384 1.1477 0.8867 1.9106 0.9561 0.9616 0.9583 0.9156 0.9421 0.9401 0.8467 1.0007 0.9997 1.0051 1.0269 0.9938 0.9819 0.9945 0.9853 0.9926 0.9921 1.8434 0.9688 0.9210 1.0178 0.9771 1.4113 1.3542 1.4594 0.9565 1.4105 0.9946 1.3743 1.4223 0.9863 0.9688 1.4171 1.3901 1.4467 0.9723 1.4237 0.9477 1.4265 0.9758 1.4391 0.9725 0.9788 0 12 1 12 2 11 2 13 3 11 4 17 4 20 5 6 5 7 5 8 5 9 6 7 6 10 6 26 7 11 7 27 8 28 8 29 8 30 9 31 9 32 9 33 10 12 10 34 13 14 13 35 13 36 14 15 14 16 15 17 15 37 16 18 16 38 17 19 18 19 18 39 19 40 20 21 20 22 21 23 21 41 22 24 22 42 23 25 23 43 24 25 24 44 25 45 -0.026728870 -1958.449075140159 -1.54304 1.18496 -0.35808 11.76205 -10.82994 0.93211 -14.53824 14.72172 0.18348 1.01524 2.58054