Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 Cl Cl O O O N C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 1 1 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-2.679,.6591,-.1616;-5.0655,-.8133,-.8458;1.316,-1.7201,-.2411;1.5085,-3.5991,-1.4297;1.6906,3.1334,1.2428;2.6183,-.6575,-3.1872;-.9421,-3.3458,1.1755;-1.4275,-2.1706,.3784;-.5226,-3.2002,-.2722;.038,-3.0808,2.2933;-1.8717,-4.497,1.4766;-2.8163,-2.0328,-.0779;.8559,-2.8941,-.7147;-3.4285,-.8798,-.3214;2.6084,-1.3171,-.6544;3.008,-.1068,.1525;2.6005,-.9743,-2.0833;2.1077,.941,.3137;4.2835,-.0339,.6862;2.5035,2.0736,1.0104;4.6642,1.1028,1.3875;3.7854,2.1557,1.5488;.5879,3.3555,.4615;.6889,3.4735,-.9185;-.6304,3.5242,1.1;-.4486,3.7533,-1.6591;-1.7585,3.8203,.3484;-1.6739,3.9282,-1.0314;-.9425,-1.2347,.6258;-.9949,-3.9045,-.9478;.7079,-3.9315,2.4307;-.5043,-2.9354,3.2289;.6456,-2.1939,2.1296;-2.503,-4.2669,2.3362;-1.2957,-5.392,1.7158;-2.5248,-4.7524,.6428;-3.3987,-2.9317,-.2378;3.3335,-2.1241,-.5091;1.1109,.8734,-.1038;4.9802,-.8518,.5546;5.6588,1.1691,1.807;4.0773,3.046,2.0897;1.6447,3.3488,-1.4119;-.6884,3.4339,2.1766;-.3719,3.8396,-2.7346;-2.709,3.9588,.8465;-2.557,4.1488,-1.6151; 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 2884.3173635720 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 6.760e-06 Time for diagonalization 0.522 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.440 sec Total time needed 0.981 sec 17 17 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-2.679,.6591,-.1616;-5.0655,-.8133,-.8458;1.316,-1.7201,-.2411;1.5085,-3.5991,-1.4297;1.6906,3.1334,1.2428;2.6183,-.6575,-3.1872;-.9421,-3.3458,1.1755;-1.4275,-2.1706,.3784;-.5226,-3.2002,-.2722;.038,-3.0808,2.2933;-1.8717,-4.497,1.4766;-2.8163,-2.0328,-.0779;.8559,-2.8941,-.7147;-3.4285,-.8798,-.3214;2.6084,-1.3171,-.6544;3.008,-.1068,.1525;2.6005,-.9743,-2.0833;2.1077,.941,.3137;4.2835,-.0339,.6862;2.5035,2.0736,1.0104;4.6642,1.1028,1.3875;3.7854,2.1557,1.5488;.5879,3.3555,.4615;.6889,3.4735,-.9185;-.6304,3.5242,1.1;-.4486,3.7533,-1.6591;-1.7585,3.8203,.3484;-1.6739,3.9282,-1.0314;-.9425,-1.2347,.6258;-.9949,-3.9045,-.9478;.7079,-3.9315,2.4307;-.5043,-2.9354,3.2289;.6456,-2.1939,2.1296;-2.503,-4.2669,2.3362;-1.2957,-5.392,1.7158;-2.5248,-4.7524,.6428;-3.3987,-2.9317,-.2378;3.3335,-2.1241,-.5091;1.1109,.8734,-.1038;4.9802,-.8518,.5546;5.6588,1.1691,1.807;4.0773,3.046,2.0897;1.6447,3.3488,-1.4119;-.6884,3.4339,2.1766;-.3719,3.8396,-2.7346;-2.709,3.9588,.8465;-2.5571,4.1488,-1.6151; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-2.679,.6591,-.1616;-5.0655,-.8133,-.8458;1.316,-1.7201,-.2411;1.5085,-3.5991,-1.4297;1.6906,3.1334,1.2428;2.6183,-.6575,-3.1872;-.9421,-3.3458,1.1755;-1.4275,-2.1706,.3784;-.5226,-3.2002,-.2722;.038,-3.0808,2.2933;-1.8717,-4.497,1.4766;-2.8163,-2.0328,-.0779;.8559,-2.8941,-.7147;-3.4285,-.8798,-.3214;2.6084,-1.3171,-.6544;3.008,-.1068,.1525;2.6005,-.9743,-2.0833;2.1077,.941,.3137;4.2835,-.0339,.6862;2.5035,2.0736,1.0104;4.6642,1.1028,1.3875;3.7854,2.1557,1.5488;.5879,3.3555,.4615;.6889,3.4735,-.9185;-.6304,3.5242,1.1;-.4486,3.7533,-1.6591;-1.7585,3.8203,.3484;-1.6739,3.9282,-1.0314;-.9425,-1.2347,.6258;-.9949,-3.9045,-.9478;.7079,-3.9315,2.4307;-.5043,-2.9354,3.2289;.6456,-2.1939,2.1296;-2.503,-4.2669,2.3362;-1.2957,-5.392,1.7158;-2.5248,-4.7524,.6428;-3.3987,-2.9317,-.2378;3.3335,-2.1241,-.5091;1.1109,.8734,-.1038;4.9802,-.8518,.5546;5.6588,1.1691,1.807;4.0773,3.046,2.0897;1.6447,3.3488,-1.4119;-.6884,3.4339,2.1766;-.3719,3.8396,-2.7346;-2.709,3.9588,.8465;-2.557,4.1488,-1.6151; -2050.65795883 2884.31736357 -4934.97532240 -8543.91118033 3608.93585792 -4095.18667089 2044.52871206 2.00299788 107.999992737483 107.999992737483 215.999985474965 -151.871917009341 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 -2765.7141 -2765.6541 -525.3528 -524.8013 -523.3811 -392.6042 -283.7366 -283.0387 -282.9492 -281.9827 -281.6789 -281.0132 -280.8252 -280.7941 -280.6883 -280.6800 -280.5889 -280.2993 -280.2128 -280.1925 -280.1270 -280.0494 -280.0427 -279.9994 -279.9766 -279.9312 -279.8867 -279.8147 -260.9767 -260.9216 -199.8205 -199.7664 -199.5711 -199.5647 -199.5142 -199.5100 -34.2982 -33.2187 -31.6247 -28.5563 -28.1492 -27.9553 -27.4059 -26.8816 -26.0579 -25.5418 -24.3856 -24.3810 -23.9202 -23.8535 -23.5065 -23.0559 -22.5137 -21.4659 -20.8845 -20.1890 -19.9663 -19.8571 -19.3062 -18.9433 -18.4115 -18.0701 -18.0461 -17.1788 -16.9895 -16.6863 -16.4747 -16.3092 -16.1683 -16.0398 -15.9779 -15.5304 -15.2929 -15.0898 -15.0166 -14.8616 -14.6104 -14.5477 -14.4367 -14.1741 -14.1257 -14.0443 -13.8077 -13.6659 -13.5330 -13.2508 -13.1624 -13.0823 -13.0039 -12.8200 -12.6929 -12.4511 -12.3130 -12.1437 -12.0006 -11.9205 -11.8903 -11.7888 -11.7808 -11.7298 -11.2567 -10.8996 -10.5341 -9.8785 -9.6388 -9.5517 -9.0256 -8.7179 0.7759 1.1797 1.2575 1.4857 1.8068 2.0911 2.3649 2.5532 2.8436 2.9524 3.2478 3.3652 3.6945 3.7527 3.7895 3.9643 4.0828 4.2089 4.2535 4.4890 4.5716 4.7585 4.8461 4.9428 5.0046 5.0943 5.2559 5.3812 5.5674 5.6367 5.7722 5.9336 5.9722 6.0682 6.0752 6.3088 6.3575 6.5209 6.5700 6.8096 6.9304 7.1633 7.2296 7.3679 7.4586 7.5650 7.5784 7.7297 7.7974 7.9235 7.9556 8.1173 8.1568 8.2517 8.4300 8.4927 8.5208 8.6781 8.8160 8.9490 8.9881 9.0630 9.1131 9.2028 9.2896 9.4686 9.5772 9.6574 9.7431 10.0049 10.1524 10.2546 10.4070 10.4281 10.5481 10.5847 10.7174 10.7890 10.8990 10.9547 11.1239 11.1362 11.2713 11.3291 11.4646 11.5500 11.6251 11.7373 11.7435 11.8589 11.9070 12.0278 12.1470 12.2301 12.3635 12.3766 12.5035 12.5816 12.6285 12.7168 12.7774 12.8638 12.9510 12.9931 13.0573 13.2906 13.4158 13.5769 13.6487 13.7392 13.7667 13.7909 13.8781 14.0080 14.0428 14.2524 14.3207 14.3671 14.5598 14.6037 14.6498 14.8210 14.8391 14.9445 15.0093 15.0683 15.2088 15.2838 15.3700 15.4768 15.5405 15.5837 15.8004 15.8501 15.8795 15.9291 15.9998 16.1540 16.2378 16.3612 16.3746 16.4989 16.6484 16.7840 16.8760 17.0157 17.0875 17.2583 17.4882 17.5250 17.6505 17.8227 17.9854 18.1166 18.1811 18.3985 18.4926 18.6931 18.8134 18.9834 19.1195 19.2068 19.3748 19.5623 19.6590 19.7021 19.8582 19.9918 20.1587 20.2157 20.4266 20.5362 20.5873 20.6757 20.8939 20.9064 21.0203 21.2332 21.3059 21.4709 21.5546 21.6481 21.7326 21.8447 22.0978 22.1191 22.2869 22.4400 22.6455 22.6529 22.7025 22.9422 23.1045 23.1751 23.2748 23.3963 23.5153 23.8074 23.8712 23.9795 24.0737 24.2125 24.3708 24.6371 24.7614 24.9217 25.0278 25.2207 25.3741 25.5190 25.6501 25.7032 25.7779 25.9146 26.0855 26.3254 26.5794 26.7289 26.9204 26.9911 27.0775 27.3168 27.5147 27.5656 27.8192 27.8915 27.9645 28.1783 28.3569 28.3997 28.6273 28.7865 28.8037 28.9773 29.0821 29.2444 29.3788 29.5312 29.6953 29.7488 29.9565 30.0279 30.2051 30.2864 30.4762 30.5938 30.7051 30.7885 30.9592 31.1389 31.2762 31.3340 31.4481 31.6668 31.7590 31.9091 31.9743 32.2831 32.3317 32.5179 32.7518 32.7865 32.9087 32.9773 33.2045 33.3342 33.4602 33.7429 33.8124 33.8991 34.0527 34.1537 34.3723 34.5229 34.5794 34.7086 34.8672 34.9276 35.1431 35.1490 35.3836 35.4835 35.7367 35.9071 35.9380 36.0912 36.2574 36.3375 36.4582 36.4979 36.6032 36.6841 36.9637 37.1393 37.2051 37.3986 37.4309 37.5988 37.9317 37.9931 38.0412 38.1548 38.2715 38.3238 38.4397 38.7026 38.8188 38.8654 38.9440 39.0530 39.1536 39.2657 39.4637 39.7859 39.8480 39.9859 40.2170 40.2916 40.4548 40.6292 40.7150 40.8239 41.0207 41.1594 41.3732 41.5585 41.6939 41.8182 41.9868 42.0581 42.3349 42.4236 42.6376 42.6932 42.7954 42.8547 43.0811 43.1216 43.3040 43.5202 43.5720 43.7261 43.8685 43.9135 44.0805 44.1891 44.3228 44.4674 44.5697 44.7368 45.0008 45.1237 45.3453 45.4573 45.5165 45.7202 45.7971 45.8762 46.0652 46.1388 46.3705 46.4075 46.5788 46.7251 46.9700 47.0756 47.5003 47.5863 47.7243 47.8322 47.8939 47.9733 48.2507 48.4576 48.5794 48.7716 49.1005 49.2109 49.3321 49.5594 49.7986 49.9052 50.0069 50.1283 50.2978 50.6174 50.7712 51.0365 51.1644 51.2399 51.4076 51.5215 51.6360 51.8402 51.9222 52.1917 52.2804 52.4611 52.7744 52.9144 53.0061 53.1382 53.3385 53.5728 53.7467 53.9446 54.4159 54.7144 54.8849 54.9375 55.1001 55.3152 55.4460 55.8089 55.8739 56.0640 56.3946 56.5051 56.6651 56.7556 56.8830 57.0503 57.1852 57.3334 57.5339 57.6934 57.9129 57.9426 58.0743 58.3685 58.5485 58.6578 58.7958 58.8848 59.0669 59.1875 59.3303 59.6447 59.8140 59.8949 60.0892 60.2219 60.2866 60.8327 60.9692 61.2220 61.5265 61.9164 62.0518 62.2579 62.5725 62.9089 63.0203 63.0856 63.3160 63.4286 63.5551 63.6857 63.8522 63.9719 64.0830 64.6326 64.9318 65.0402 65.2628 65.4272 65.5312 65.7916 65.8975 65.9694 66.1724 66.3808 66.6076 66.7801 67.0243 67.1535 67.3265 67.5438 67.6104 67.8855 68.0056 68.1752 68.3017 68.4749 68.6671 68.9212 69.1287 69.4998 69.6806 69.8313 69.9827 70.3298 70.4406 70.9546 71.0685 71.7406 71.8682 72.0873 72.4864 72.6554 72.9428 73.2922 73.3684 73.6965 73.8725 73.9331 74.1597 74.4808 74.5403 74.7099 74.9441 75.1801 75.3407 75.6383 76.0710 76.1221 76.2518 76.3476 76.4469 76.6566 76.7360 76.8167 77.0920 77.2556 77.3549 77.4272 77.6301 77.8574 78.0241 78.1158 78.3277 78.5208 78.6709 78.7121 78.8370 78.9529 79.0958 79.2226 79.2906 79.4337 79.6401 79.7913 79.8666 79.8945 79.9907 80.2292 80.4175 80.7008 80.8622 80.9521 81.3193 81.4101 81.5793 81.7881 81.8841 81.9836 82.0436 82.2760 82.2989 82.4932 82.5902 82.7537 82.8982 83.0284 83.2312 83.2571 83.3669 83.4460 83.6116 83.7089 83.9317 83.9826 84.2761 84.5134 84.5570 84.6051 84.7677 84.9029 84.9472 85.0173 85.2064 85.3570 85.3828 85.4630 85.7709 85.8069 85.9171 86.1016 86.1524 86.3638 86.4501 86.5382 86.6094 86.8605 86.8881 87.0429 87.1303 87.3598 87.6774 87.7418 87.8639 88.0160 88.1441 88.2934 88.3181 88.5862 88.6530 88.7636 88.8502 89.0030 89.1284 89.2155 89.2880 89.5151 89.6325 89.6662 89.7597 89.9640 90.0363 90.2115 90.3765 90.5116 90.6497 90.8756 90.9408 91.1711 91.2772 91.5219 91.5598 91.7254 91.8362 92.1287 92.1745 92.3602 92.3870 92.5192 92.5541 92.7754 92.8433 92.9125 92.9950 93.1756 93.2586 93.3712 93.5548 93.7159 93.8907 93.9473 93.9990 94.0403 94.1524 94.4560 94.4850 94.5594 94.9342 95.0708 95.2088 95.2628 95.3775 95.4934 95.5803 95.7411 95.7921 96.0060 96.1449 96.2500 96.4769 96.6530 96.7869 96.8165 97.0180 97.1462 97.2592 97.3699 97.4640 97.6244 97.9265 98.0661 98.3414 98.3911 98.4442 98.6872 98.7549 98.7913 99.0114 99.3643 99.4098 99.4948 99.6848 99.8213 99.9144 100.1034 100.2617 100.6979 100.8098 101.0354 101.4596 101.5204 101.7105 101.7895 101.9041 102.1217 102.4563 102.6882 102.8511 102.9629 103.1249 103.4154 103.4599 103.7362 103.7728 104.1310 104.1935 104.6079 104.6740 104.8712 105.0358 105.0485 105.1906 105.2700 105.3645 105.5048 105.6553 105.7998 106.0354 106.1331 106.1737 106.4000 106.6079 106.6299 106.8333 106.9980 107.2089 107.4523 107.6184 107.7312 108.0451 108.1225 108.4371 108.5742 108.7765 109.0548 109.1094 109.3240 109.4135 109.5141 109.6753 109.7498 110.0703 110.1484 110.3170 110.5116 110.7017 110.7250 110.9641 111.0312 111.0453 111.2444 111.4002 111.6795 111.8234 111.8279 112.1849 112.4200 112.6743 112.7868 112.8800 113.0668 113.4331 113.5688 113.7254 114.1304 114.2343 114.4062 114.4816 114.5286 114.6441 114.7317 115.1085 115.1534 115.4159 115.4659 115.7832 115.8701 116.1361 116.2522 116.4468 116.5817 116.5956 116.7281 116.7929 117.0893 117.1758 117.3420 117.4387 117.7360 117.7892 117.8936 118.0982 118.2201 118.2835 118.4216 118.5639 118.8181 118.8936 119.1937 119.2929 119.3712 119.5648 119.6543 120.0519 120.2058 120.3432 120.6159 120.7452 120.8820 121.0733 121.1381 121.3537 121.4226 121.5808 121.7071 122.0039 122.4515 122.5579 122.6782 122.8898 123.1578 123.3209 123.6749 123.9713 124.1710 125.0575 125.3059 125.4913 125.7381 125.9044 126.0337 126.4401 126.5460 126.8151 126.9705 127.0819 127.5524 127.9387 128.3271 128.4171 128.5941 128.7097 128.7343 129.0038 129.2463 129.2684 129.4697 129.7386 130.0142 130.1578 130.4412 130.6164 130.6818 130.9383 131.1227 131.2650 131.4269 131.6231 131.9153 132.0750 132.2413 132.5616 132.6259 132.7383 133.1286 133.2777 133.6067 134.1275 134.2522 134.6922 135.0107 135.1750 135.3517 135.9509 136.2267 136.3346 137.0819 137.3837 137.6630 137.8327 138.0057 138.0912 138.2657 138.5161 138.9175 139.2857 139.4151 139.6039 139.8702 140.3964 140.7269 141.0298 141.1355 141.3553 141.9736 142.2449 142.6852 143.1121 143.1699 143.5713 143.9026 144.1032 144.2533 144.4277 144.5604 144.8022 144.8369 145.0643 145.0968 145.4107 145.9648 146.1383 146.2626 146.8622 146.9831 147.5560 147.6734 147.9012 147.9293 148.0896 148.3641 148.4907 148.6612 149.3402 149.3651 149.9171 149.9516 150.2667 150.8797 151.2059 151.2560 151.6392 151.9113 152.0301 152.4666 152.9360 153.2982 153.6005 154.0273 154.3738 155.2361 155.5387 155.8751 156.2639 156.3382 156.8779 157.0551 157.4144 157.6045 158.2694 158.3973 158.7895 158.9403 159.3543 159.6623 159.7818 160.2999 161.3456 161.6292 161.8015 162.3828 162.7390 163.2808 163.6203 164.4534 167.0607 167.3618 167.8854 168.8147 170.5676 171.9036 172.2686 173.0987 173.2383 174.6810 175.7541 177.1225 177.2872 178.8709 181.4435 181.9899 185.2546 187.1150 187.2229 187.4600 188.3818 189.7173 191.8534 192.9191 193.6157 195.5425 196.4690 198.2351 201.9010 206.3555 206.6665 207.4195 221.3242 221.9714 222.4618 223.0739 223.2195 224.1134 225.9081 226.3945 228.1335 229.7424 294.5548 296.1029 296.2969 298.9780 309.3214 314.7716 609.9847 619.8454 620.1209 624.6714 629.1088 630.7085 632.0672 632.2774 634.0523 634.3365 635.3297 635.8318 636.4672 636.9858 637.4114 639.7321 642.6274 643.2708 646.7868 649.9148 657.3398 658.2389 703.9438 712.0645 877.3162 1198.7553 1211.9821 1215.2620 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 -0.041991 -0.048283 -0.282286 -0.329978 -0.294310 -0.000464 0.067497 0.070077 -0.071928 -0.246528 -0.264159 -0.214925 0.337067 0.062999 0.291715 0.040490 -0.245662 -0.191845 -0.171557 0.251504 -0.085231 -0.208050 0.252890 -0.177776 -0.174622 -0.091011 -0.172135 -0.125312 0.070718 0.087228 0.094961 0.090342 0.088904 0.100172 0.096478 0.076609 0.096486 0.112387 0.116252 0.112191 0.128031 0.129500 0.139200 0.125259 0.133128 0.135310 0.130655 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 17.0420 17.0483 8.2823 8.3300 8.2943 7.0005 5.9325 5.9299 6.0719 6.2465 6.2642 6.2149 5.6629 5.9370 5.7083 5.9595 6.2457 6.1918 6.1716 5.7485 6.0852 6.2080 5.7471 6.1778 6.1746 6.0910 6.1721 6.1253 0.9293 0.9128 0.9050 0.9097 0.9111 0.8998 0.9035 0.9234 0.9035 0.8876 0.8837 0.8878 0.8720 0.8705 0.8608 0.8747 0.8669 0.8647 0.8693 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 -0.0420 -0.0483 -0.2823 -0.3300 -0.2943 -0.0005 0.0675 0.0701 -0.0719 -0.2465 -0.2642 -0.2149 0.3371 0.0630 0.2917 0.0405 -0.2457 -0.1918 -0.1716 0.2515 -0.0852 -0.2080 0.2529 -0.1778 -0.1746 -0.0910 -0.1721 -0.1253 0.0707 0.0872 0.0950 0.0903 0.0889 0.1002 0.0965 0.0766 0.0965 0.1124 0.1163 0.1122 0.1280 0.1295 0.1392 0.1253 0.1331 0.1353 0.1307 1.3061 1.2582 2.1299 2.1766 2.1236 3.1167 3.7723 3.7952 3.8393 3.9144 3.9200 3.9316 4.2717 4.2506 3.8848 3.7393 3.9738 3.9499 4.0096 3.8399 3.9669 4.0347 3.7705 3.9686 3.9848 3.9310 3.8905 3.8880 1.0323 1.0298 1.0014 1.0034 1.0142 1.0009 1.0034 1.0100 1.0329 1.0253 1.0323 1.0122 1.0000 1.0124 1.0018 1.0122 0.9979 1.0012 0.9997 1.3061 1.2582 2.1299 2.1766 2.1236 3.1167 3.7723 3.7952 3.8393 3.9144 3.9200 3.9316 4.2717 4.2506 3.8848 3.7393 3.9738 3.9499 4.0096 3.8399 3.9669 4.0347 3.7705 3.9686 3.9848 3.9310 3.8905 3.8880 1.0323 1.0298 1.0014 1.0034 1.0142 1.0009 1.0034 1.0100 1.0329 1.0253 1.0323 1.0122 1.0000 1.0124 1.0018 1.0122 0.9979 1.0012 0.9997 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 1.2023 1.1523 1.1138 0.9171 2.0063 1.0280 0.9161 3.0486 0.9084 0.8861 0.9529 0.9531 0.8770 1.0296 0.9936 1.0412 1.0035 0.9943 0.9891 0.9846 0.9962 0.9869 0.9889 1.8741 0.9467 0.8883 0.9309 0.9970 1.3654 1.4076 1.3847 0.9511 1.4396 0.9584 1.3879 1.4755 0.9748 0.9693 1.3702 1.4176 1.4396 0.9678 1.4055 0.9810 1.4141 0.9711 1.3930 0.9992 0.9868 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 -0.026466677 -2050.684425509339 14.47546 -14.71416 -0.23871 -9.23857 9.01798 -0.22059 14.23415 -12.33562 1.89853 1.92616 4.89590