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:-2.0911,.0827,.2661;-4.1133,1.5731,1.687;2.0708,2.0022,-.556;2.5011,2.4649,1.5883;-.4078,-2.3506,-.5044;3.8329,.6927,-3.0236;-.0762,4.1409,-.5345;-.6865,2.8446,-.1043;.5517,3.3808,.6133;.5625,4.2148,-1.902;-.7389,5.4429,-.144;-1.9557,2.7439,.6287;1.8023,2.5959,.6237;-2.6241,1.6138,.829;3.07,.9933,-.5426;2.5133,-.2936,.0169;3.4878,.834,-1.9374;1.3437,-.8098,-.523;3.134,-.9281,1.0804;.7823,-1.9541,.0186;2.5752,-2.0864,1.6;1.399,-2.603,1.0834;-.7461,-3.6756,-.5262;-2.0111,-4.0229,-.0794;.1178,-4.637,-1.0345;-2.4173,-5.3471,-.1487;-.2976,-5.9579,-1.0879;-1.5629,-6.319,-.6472;-.4835,2.0123,-.7679;.371,3.8112,1.5913;1.4072,4.9052,-1.9009;-.1691,4.5918,-2.6183;.9141,3.2561,-2.2707;-1.5674,5.6691,-.817;-.0225,6.2623,-.2128;-1.1251,5.4425,.875;-2.3875,3.6443,1.0472;3.9405,1.3107,.0401;.8513,-.3276,-1.3586;4.0346,-.5142,1.5144;3.049,-2.5833,2.4357;.9608,-3.4935,1.5147;-2.6701,-3.2573,.3091;1.1002,-4.3567,-1.393;-3.4066,-5.6181,.1951;.3722,-6.7084,-1.4862;-1.8819,-7.3511,-.6971; 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 2868.3023818199 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 6.519e-06 Time for diagonalization 0.550 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.503 sec Total time needed 1.064 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:-2.0911,.0827,.2661;-4.1133,1.5731,1.687;2.0708,2.0022,-.556;2.5011,2.4649,1.5883;-.4078,-2.3506,-.5044;3.8329,.6927,-3.0236;-.0762,4.1409,-.5345;-.6865,2.8446,-.1043;.5517,3.3808,.6133;.5625,4.2148,-1.902;-.7389,5.4429,-.144;-1.9557,2.7439,.6287;1.8023,2.5959,.6237;-2.6241,1.6138,.829;3.07,.9933,-.5426;2.5133,-.2936,.0169;3.4878,.834,-1.9374;1.3437,-.8098,-.523;3.134,-.9281,1.0804;.7823,-1.9541,.0186;2.5752,-2.0864,1.6;1.399,-2.603,1.0834;-.7461,-3.6756,-.5262;-2.0111,-4.0229,-.0794;.1178,-4.637,-1.0345;-2.4173,-5.3471,-.1487;-.2976,-5.9579,-1.0879;-1.5629,-6.319,-.6472;-.4835,2.0123,-.7679;.371,3.8112,1.5913;1.4072,4.9052,-1.9009;-.1691,4.5918,-2.6183;.9141,3.2561,-2.2707;-1.5674,5.6691,-.817;-.0225,6.2623,-.2128;-1.1251,5.4425,.875;-2.3875,3.6443,1.0472;3.9405,1.3107,.0401;.8513,-.3276,-1.3586;4.0346,-.5142,1.5144;3.049,-2.5833,2.4357;.9608,-3.4935,1.5147;-2.6701,-3.2573,.3091;1.1002,-4.3567,-1.393;-3.4066,-5.6181,.1951;.3722,-6.7084,-1.4862;-1.8819,-7.3511,-.6971; 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:-2.0911,.0827,.2661;-4.1133,1.5731,1.687;2.0708,2.0022,-.556;2.5011,2.4649,1.5883;-.4078,-2.3506,-.5044;3.8329,.6927,-3.0236;-.0762,4.1409,-.5345;-.6865,2.8446,-.1043;.5517,3.3808,.6133;.5625,4.2148,-1.902;-.7389,5.4429,-.144;-1.9557,2.7439,.6287;1.8023,2.5959,.6237;-2.6241,1.6138,.829;3.07,.9933,-.5426;2.5133,-.2936,.0169;3.4878,.834,-1.9374;1.3437,-.8098,-.523;3.134,-.9281,1.0804;.7823,-1.9541,.0186;2.5752,-2.0864,1.6;1.399,-2.603,1.0834;-.7461,-3.6756,-.5262;-2.0111,-4.0229,-.0794;.1178,-4.637,-1.0345;-2.4173,-5.3471,-.1487;-.2976,-5.9579,-1.0879;-1.5629,-6.319,-.6472;-.4835,2.0123,-.7679;.371,3.8112,1.5913;1.4072,4.9052,-1.9009;-.1691,4.5918,-2.6183;.9141,3.2561,-2.2707;-1.5674,5.6691,-.817;-.0225,6.2623,-.2128;-1.1251,5.4425,.875;-2.3875,3.6443,1.0472;3.9405,1.3107,.0401;.8513,-.3276,-1.3586;4.0346,-.5142,1.5144;3.049,-2.5833,2.4357;.9608,-3.4935,1.5147;-2.6701,-3.2573,.3091;1.1002,-4.3567,-1.393;-3.4066,-5.6181,.1951;.3722,-6.7084,-1.4862;-1.8819,-7.3511,-.6971; -2050.65701637 2868.30238182 -4918.95939819 -8511.99278589 3593.03338770 -4095.20440539 2044.54738901 2.00298825 108.000118126621 108.000118126621 216.000236253243 -151.874374164544 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 -2765.6986 -2765.6568 -525.2745 -524.7870 -523.3450 -392.7730 -283.7179 -283.0226 -282.9444 -281.9006 -281.6801 -280.9889 -280.9738 -280.7310 -280.6866 -280.6587 -280.5614 -280.2467 -280.1616 -280.1574 -280.1349 -280.0610 -280.0439 -279.9970 -279.9388 -279.9109 -279.8831 -279.6748 -260.9624 -260.9249 -199.8059 -199.7692 -199.5580 -199.5490 -199.5176 -199.5134 -34.2243 -33.2062 -31.5935 -28.5616 -28.2770 -27.9441 -27.3755 -26.8528 -26.0629 -25.4840 -24.4718 -24.3488 -23.9160 -23.8154 -23.3437 -23.2056 -22.4248 -21.3906 -20.8058 -20.4200 -19.9733 -19.4959 -19.2013 -18.9577 -18.4008 -18.3153 -17.7766 -17.1795 -16.7730 -16.6870 -16.5336 -16.4168 -16.1718 -16.0536 -16.0069 -15.6161 -15.2084 -15.0861 -14.9341 -14.8030 -14.6612 -14.5437 -14.3719 -14.2505 -14.1509 -13.9101 -13.7086 -13.5768 -13.4288 -13.2834 -13.1706 -13.0744 -12.9327 -12.7914 -12.6945 -12.4746 -12.3517 -12.2610 -12.1214 -12.0398 -11.8913 -11.7766 -11.6892 -11.4751 -11.2493 -11.0735 -10.3939 -9.8533 -9.6249 -9.5501 -9.0432 -8.6885 0.7804 1.0667 1.3020 1.5181 1.8290 2.2968 2.4653 2.5706 2.8646 2.9249 3.1836 3.4579 3.5740 3.6822 3.7394 4.0816 4.1526 4.1673 4.3813 4.4667 4.5588 4.6772 4.8338 4.8891 5.0929 5.2490 5.3005 5.3878 5.5938 5.7600 5.8112 5.8597 5.9785 6.1166 6.2386 6.4669 6.4802 6.5685 6.7998 6.9427 7.0027 7.1327 7.3534 7.4204 7.4285 7.5177 7.5511 7.7522 7.8671 7.8752 7.9296 8.0920 8.1229 8.3147 8.3417 8.3787 8.5526 8.6912 8.7328 8.9078 8.9523 9.0257 9.1631 9.2977 9.3448 9.4500 9.6568 9.7273 9.8037 9.8955 10.0605 10.1254 10.2108 10.3640 10.4675 10.5070 10.5853 10.8499 10.8794 11.0047 11.0759 11.2395 11.3418 11.3510 11.4275 11.4700 11.6519 11.7525 11.8232 11.8848 11.9414 11.9982 12.1467 12.2821 12.4085 12.5375 12.5814 12.6696 12.7391 12.8136 12.8523 12.9074 12.9833 13.1274 13.1549 13.2699 13.4203 13.5019 13.5514 13.6486 13.6953 13.7366 13.7961 13.8979 13.9732 14.0327 14.0743 14.3594 14.4717 14.5464 14.5821 14.6112 14.7450 14.8590 14.9600 15.1158 15.1683 15.2708 15.3962 15.4748 15.5890 15.6955 15.7528 15.8639 15.8939 15.9500 16.0081 16.2040 16.2815 16.4510 16.6066 16.7030 16.8163 16.8843 16.9647 17.1063 17.1552 17.3112 17.4201 17.6729 17.6985 17.8006 17.9934 18.1038 18.3972 18.6102 18.7075 18.7377 18.8494 19.0714 19.1574 19.3505 19.3794 19.5184 19.6844 19.9032 19.9219 19.9842 20.1547 20.2516 20.3131 20.4169 20.6322 20.7254 20.8361 20.9229 21.1144 21.1393 21.3715 21.5356 21.5875 21.7192 21.9135 21.9660 22.0660 22.1480 22.4122 22.5093 22.6437 22.7891 22.9025 23.0972 23.1514 23.2524 23.3306 23.5118 23.6077 23.7543 23.8779 23.9985 24.1460 24.2291 24.4329 24.6306 24.7552 24.7908 25.0064 25.1163 25.2783 25.5349 25.5889 25.6844 25.8968 26.2165 26.3292 26.5059 26.6069 26.7245 26.8848 27.1929 27.2164 27.2775 27.4022 27.4580 27.7752 28.0163 28.1233 28.1917 28.3366 28.4149 28.5734 28.6434 28.7481 28.8369 29.1242 29.1697 29.2480 29.3660 29.6460 29.7025 29.7442 29.8618 30.3508 30.3975 30.4335 30.6475 30.8050 30.9160 31.0367 31.2612 31.3513 31.4779 31.6495 31.8237 31.9185 32.0509 32.1714 32.3863 32.4506 32.6330 32.6796 32.7553 32.8317 33.0229 33.1063 33.4188 33.5043 33.7072 33.8419 33.8722 33.9945 34.2105 34.3275 34.5152 34.6357 34.6967 34.8655 35.0369 35.1848 35.3714 35.4211 35.5819 35.6986 35.7880 35.9228 36.1015 36.1958 36.5120 36.5779 36.6961 36.8468 36.9682 37.1407 37.1779 37.3408 37.4909 37.6977 37.8377 37.8877 37.9279 37.9822 38.2592 38.3137 38.3473 38.5321 38.6534 38.8596 38.9173 39.0238 39.1201 39.2513 39.3572 39.6022 39.7000 39.7827 39.9195 40.1512 40.2868 40.3067 40.4976 40.6559 40.7563 40.8501 41.2026 41.4070 41.6165 41.7649 42.0430 42.1782 42.2591 42.3511 42.4092 42.5131 42.6505 42.7747 42.8323 42.9513 43.1257 43.2975 43.4261 43.5492 43.5704 43.7708 43.9971 44.0377 44.1318 44.2106 44.3591 44.5301 44.5605 45.0231 45.1573 45.2128 45.4443 45.5730 45.6006 45.7443 45.9526 46.0408 46.2925 46.4255 46.5319 46.8533 46.9262 47.0145 47.1819 47.3189 47.4424 47.6044 47.6979 47.9547 48.1604 48.2971 48.4127 48.5715 48.6831 48.9302 49.0582 49.3958 49.5652 49.6932 49.9297 50.0152 50.1688 50.2173 50.4527 50.8448 50.8798 51.2068 51.2503 51.4406 51.6504 51.8013 51.8358 52.1358 52.2598 52.2802 52.5937 52.8052 52.8428 53.0678 53.1316 53.2989 53.3794 53.7136 53.9173 54.3000 54.4363 54.9334 54.9898 55.1766 55.4058 55.6314 55.7564 55.9249 55.9821 56.2540 56.3964 56.5797 56.7050 56.9699 57.1216 57.4071 57.4979 57.6566 57.8669 58.2323 58.3109 58.4412 58.6115 58.6546 58.8601 59.0710 59.1573 59.4143 59.4946 59.5951 59.6709 59.9238 60.0908 60.2989 60.9215 60.9833 61.0572 61.2423 61.4898 61.5870 61.8801 62.1968 62.3202 62.6624 63.0259 63.0982 63.3598 63.4206 63.5613 63.6280 63.7699 63.8815 64.1886 64.3002 64.5983 64.8632 65.0237 65.3064 65.4643 65.7947 65.8541 66.2065 66.2832 66.4605 66.5172 66.6505 66.9076 66.9831 67.2389 67.2964 67.4692 67.7547 67.9944 68.0290 68.1805 68.2967 68.6076 68.7707 68.9961 69.4112 69.5408 69.7465 70.1736 70.3097 70.5458 70.8532 71.0532 71.3700 71.6884 71.9482 72.3949 72.5035 72.6270 72.7865 73.0637 73.5273 73.6682 73.9188 74.0856 74.2858 74.4514 74.5530 74.8910 75.0358 75.1934 75.4455 75.6969 75.8708 76.0033 76.2526 76.3020 76.3866 76.6274 76.7193 76.8998 77.0209 77.2258 77.3472 77.3758 77.5493 77.7662 77.9701 78.0647 78.1337 78.4059 78.5052 78.6664 78.7020 78.8636 79.0864 79.1830 79.3141 79.3986 79.5499 79.7266 79.8758 80.0529 80.2120 80.5251 80.6104 80.7921 81.0012 81.0333 81.1653 81.3942 81.4406 81.6322 81.7447 81.9110 82.1267 82.2495 82.3304 82.4147 82.6221 82.7166 82.8428 83.0172 83.1072 83.3082 83.4901 83.6008 83.6469 83.9376 84.1602 84.2557 84.3815 84.5265 84.6657 84.7970 84.8334 85.0797 85.1437 85.2510 85.2962 85.4161 85.4569 85.6927 85.7933 85.8912 85.9585 86.0464 86.1893 86.2323 86.3649 86.6601 86.8967 86.9166 87.0047 87.2315 87.2802 87.4462 87.6863 87.7918 88.0194 88.0749 88.2527 88.3173 88.5694 88.6638 88.6668 88.7719 88.9045 88.9664 89.0447 89.1756 89.2044 89.5404 89.6022 89.8169 89.8597 89.9220 89.9912 90.2928 90.3954 90.5835 90.7926 90.8316 90.9460 91.1148 91.3146 91.4360 91.5826 91.7499 91.9384 92.1614 92.3077 92.3346 92.4571 92.5710 92.6312 92.7972 92.8532 92.9237 93.1180 93.1977 93.2540 93.4490 93.5833 93.7997 93.8398 93.8662 94.0499 94.1151 94.2380 94.4644 94.4953 94.7165 94.8034 95.0585 95.1309 95.2615 95.3607 95.4905 95.5997 95.7164 95.8454 96.1551 96.2579 96.3962 96.6465 96.6996 96.7790 96.8186 96.9939 97.2993 97.3204 97.4024 97.5952 97.8103 98.0595 98.1127 98.2561 98.4373 98.5203 98.6515 98.7036 99.0253 99.1295 99.1914 99.2912 99.4814 99.6079 99.8015 100.1611 100.1781 100.3563 100.5908 100.6743 101.0850 101.1699 101.4310 101.6146 101.8270 102.0267 102.2098 102.4069 102.4924 102.7608 102.9374 103.1086 103.2880 103.7218 103.7630 104.0221 104.1517 104.5450 104.7431 104.7943 104.9449 105.1747 105.3624 105.4328 105.4586 105.6435 105.6787 105.7914 106.0408 106.1318 106.2508 106.3374 106.6189 106.7639 106.8491 107.0569 107.0888 107.3096 107.3261 107.4171 107.7916 107.9485 108.1818 108.3223 108.7140 108.8393 109.1494 109.1835 109.2974 109.4196 109.5315 109.6487 109.8179 110.2147 110.3345 110.5741 110.6386 110.7022 110.7342 110.9013 111.0693 111.2631 111.4112 111.4512 111.7788 111.9132 112.0926 112.1987 112.3400 112.4810 112.7329 113.0033 113.2702 113.2981 113.7272 113.9091 114.0750 114.2574 114.3769 114.4933 114.6272 114.8640 115.0378 115.2167 115.2555 115.3754 115.5774 115.8548 115.9510 116.1922 116.4119 116.4826 116.5521 116.8194 116.9041 116.9769 117.0587 117.2480 117.4073 117.5333 117.7319 117.8457 118.0705 118.2515 118.3168 118.3412 118.3863 118.4503 118.6859 118.7965 119.1197 119.3204 119.5477 119.6988 119.9339 120.0468 120.2416 120.5155 120.5412 120.6742 120.7976 121.1900 121.3473 121.4031 121.4644 121.6242 121.9018 122.0553 122.4935 122.6288 122.8491 123.0105 123.2717 123.3853 123.6630 123.9007 124.1730 124.7142 124.9495 125.3164 125.3977 125.9301 126.1182 126.3885 126.5532 126.7183 127.0154 127.2538 127.7810 127.8736 128.1712 128.3680 128.4610 128.8048 128.9880 129.0325 129.2999 129.4082 129.6317 129.7210 130.1379 130.1602 130.3909 130.5541 130.7661 130.9761 131.1210 131.2729 131.4434 131.8052 131.9850 132.2480 132.5974 132.7235 132.7769 132.8004 133.1012 133.3374 133.6073 134.2393 134.3699 134.7548 134.9756 135.4023 135.6078 135.9019 136.0110 136.1132 136.6988 137.0224 137.6345 137.8787 138.0904 138.1527 138.2717 138.3961 138.4541 139.2122 139.3180 139.9558 140.2019 140.3749 140.8603 141.1079 141.1836 141.7415 141.8643 142.2121 142.9098 143.1090 143.3149 143.8342 144.0875 144.1152 144.2297 144.5159 144.7325 144.8567 145.0094 145.1509 145.4224 145.5856 146.0207 146.1747 146.4778 146.8856 147.1648 147.2219 147.5594 147.7240 147.9615 148.1335 148.1993 148.6847 148.8015 149.4424 149.5937 149.6011 149.9997 150.1587 150.8160 151.2178 151.5166 151.6930 151.7884 152.3143 152.4453 153.1069 153.3107 154.1155 154.3266 154.4597 154.9235 155.4217 155.9044 156.2275 156.4978 157.0269 157.2282 157.4578 157.5363 157.9143 158.1828 158.7435 159.0675 159.4958 159.5150 159.6555 160.8242 161.0564 161.3310 161.6407 162.3158 162.8600 163.3701 164.0800 164.6080 166.0688 167.1148 168.2156 169.4245 169.4695 172.3507 172.6749 172.8241 173.0959 174.0670 175.9337 177.3739 177.8806 179.0081 180.9110 181.8003 185.6438 186.9374 187.7319 187.9180 188.2583 189.9347 192.1241 193.1152 193.7270 195.9786 196.4867 198.9524 202.1151 205.8734 206.6804 207.0112 221.3143 222.2276 222.5328 223.0711 223.6454 224.0595 225.9452 226.6650 228.3237 229.9256 294.5442 295.9350 296.1833 299.9406 309.2572 314.6894 609.5067 618.3142 620.8758 625.1564 630.1616 631.2938 631.4977 632.2621 633.8799 634.3540 635.2348 635.6912 636.6439 636.7535 637.5224 640.3776 641.9376 643.8773 646.8151 650.0947 657.4043 658.1020 704.7313 711.7768 877.4236 1198.8479 1212.3905 1215.5145 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 -0.040523 -0.046524 -0.277767 -0.340911 -0.312752 0.002142 0.100431 0.003916 -0.053597 -0.231050 -0.278377 -0.202594 0.314144 0.064530 0.299532 0.090054 -0.270368 -0.266989 -0.133728 0.226640 -0.096360 -0.167444 0.235248 -0.193718 -0.154982 -0.102563 -0.118617 -0.136012 0.077917 0.088060 0.092385 0.086827 0.093319 0.103736 0.097986 0.075825 0.099894 0.123341 0.131432 0.109938 0.128976 0.136580 0.121530 0.136657 0.127855 0.128814 0.127161 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 17.0405 17.0465 8.2778 8.3409 8.3128 6.9979 5.8996 5.9961 6.0536 6.2310 6.2784 6.2026 5.6859 5.9355 5.7005 5.9099 6.2704 6.2670 6.1337 5.7734 6.0964 6.1674 5.7648 6.1937 6.1550 6.1026 6.1186 6.1360 0.9221 0.9119 0.9076 0.9132 0.9067 0.8963 0.9020 0.9242 0.9001 0.8767 0.8686 0.8901 0.8710 0.8634 0.8785 0.8633 0.8721 0.8712 0.8728 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 -0.0405 -0.0465 -0.2778 -0.3409 -0.3128 0.0021 0.1004 0.0039 -0.0536 -0.2310 -0.2784 -0.2026 0.3141 0.0645 0.2995 0.0901 -0.2704 -0.2670 -0.1337 0.2266 -0.0964 -0.1674 0.2352 -0.1937 -0.1550 -0.1026 -0.1186 -0.1360 0.0779 0.0881 0.0924 0.0868 0.0933 0.1037 0.0980 0.0758 0.0999 0.1233 0.1314 0.1099 0.1290 0.1366 0.1215 0.1367 0.1279 0.1288 0.1272 1.3209 1.2613 2.0983 2.1680 2.0681 3.1145 3.7656 3.8416 3.7965 3.9027 3.9308 3.9228 4.2973 4.2520 3.8792 3.5976 4.0179 4.0630 4.0202 3.8237 3.9615 3.9840 3.8014 4.0292 3.9694 3.9578 3.9535 3.9543 1.0369 1.0290 1.0040 1.0018 1.0158 0.9997 1.0040 1.0076 1.0314 1.0178 1.0265 1.0146 1.0009 1.0036 1.0204 1.0030 0.9997 0.9996 0.9999 1.3209 1.2613 2.0983 2.1680 2.0681 3.1145 3.7656 3.8416 3.7965 3.9027 3.9308 3.9228 4.2973 4.2520 3.8792 3.5976 4.0179 4.0630 4.0202 3.8237 3.9615 3.9840 3.8014 4.0292 3.9694 3.9578 3.9535 3.9543 1.0369 1.0290 1.0040 1.0018 1.0158 0.9997 1.0040 1.0076 1.0314 1.0178 1.0265 1.0146 1.0009 1.0036 1.0204 1.0030 0.9997 0.9996 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 1.1998 1.1607 1.1146 0.9019 2.0059 0.9504 0.9292 3.0521 0.9344 0.9034 0.9454 0.9389 0.8372 1.0288 0.9929 1.0414 1.0090 0.9923 0.9896 0.9864 0.9991 0.9879 0.9892 1.8676 0.9495 0.9027 0.9387 1.0015 1.3645 1.3809 1.4359 0.9606 1.4528 0.9676 1.3852 1.4474 0.9704 0.9538 1.4140 1.3887 1.4472 0.9672 1.4416 0.9642 1.4286 0.9727 1.4314 0.9727 0.9766 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 -0.026650230 -2050.683666604714 11.40566 -11.99352 -0.58786 4.42427 -4.41549 0.00878 -6.33410 7.04556 0.71146 0.92295 2.34596