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 47 48 49 50 51 52 53 Cl O O O O O N N 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 H H H H H H H 1 2 2 2 2 2 3 3 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 5 5 5 5 5 5 5 5 371.6666999999997 AuxInfo=1/0/N:13,14,25,26,27,18,19,21,22,15,10,23,16,24,11,20,9,12,17,1,7,8,6,2,5,4,3/E:(1,2)(3,4)(6,7)(8,9)/CRV:6.3,7.3,8.3,9.3,13.3,14.3,16.3,18.3,19.3,23.1,24.1,25.1/rA:54nClO1OOO1O1NNCCCC3CCCC3C3C3C3C3C3C3CC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s9;s7;s2s7s9;s10;s10;s11;s11;s3s5s8;s16;s16;s4s6s15;s18;s19;s3;s1s21s22;s23;s23;s4;s9;s10;s11;s7;s13;s13;s13;s14;s14;s14;s8;s15;s15;s18;s19;s21;s22;s23;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-6.4553,-1.5964,-.9662;1.2868,-1.4249,-1.0212;4.9896,1.1559,-1.716;-1.3405,-.9396,4.5265;3.7071,2.7285,-.7205;-1.112,.5948,2.9264;-.0367,-.3553,.4689;2.8639,.7091,-1.3197;1.5367,.9557,-.8236;.6777,1.7515,-1.8355;-.7344,-1.5235,.959;.9271,-.3996,-.473;-.6287,2.2592,-1.2347;.4311,.9851,-3.1281;-.5148,-1.6942,2.4615;-2.1911,-1.5253,.5284;3.8449,1.6303,-1.208;-2.4838,-1.3477,-.8227;-3.2506,-1.7434,1.3991;-1.0233,-.5458,3.2993;-3.7844,-1.3693,-1.2904;-4.5634,-1.7653,.9473;6.1552,1.9862,-1.6274;-4.8251,-1.5737,-.3961;7.0973,1.5149,-2.7176;6.7755,1.882,-.2453;-1.7881,.0659,5.4311;1.6152,1.5609,.0857;1.2858,2.6301,-2.0691;-.2558,-2.3799,.4781;-.2763,.524,.9;-1.1026,2.9664,-1.9156;-.4647,2.7863,-.292;-1.3488,1.4595,-1.0552;-.0474,1.6316,-3.8644;-.2256,.1264,-2.9767;1.3582,.6192,-3.5686;3.0613,-.2048,-1.6965;-.9426,-2.6357,2.8089;.5624,-1.7741,2.6382;-1.6783,-1.1998,-1.5313;-3.0848,-1.9091,2.4555;-3.9887,-1.2325,-2.3432;-5.3747,-1.9316,1.6421;5.8692,3.024,-1.8166;7.4005,.4787,-2.5618;7.9975,2.1294,-2.7201;6.6377,1.5922,-3.7028;6.0944,2.2382,.5257;7.0542,.8515,-.019;7.6789,2.4908,-.1946;-2.6944,.5519,5.0703;-1.9964,-.4464,6.366;-1.0245,.8262,5.5943; 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 1622 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 212 Dim 1226 ENuc 2693.5463488008 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 6.350e-06 Time for diagonalization 0.532 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.254 sec Total time needed 0.792 sec 17 8 8 8 8 8 7 7 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 1 1 1 1 1 1 1 371.6666999999997 AuxInfo=1/0/N:13,14,25,26,27,18,19,21,22,15,10,23,16,24,11,20,9,12,17,1,7,8,6,2,5,4,3/E:(1,2)(3,4)(6,7)(8,9)/CRV:6.3,7.3,8.3,9.3,13.3,14.3,16.3,18.3,19.3,23.1,24.1,25.1/rA:54nClO1OOO1O1NNCCCC3CCCC3C3C3C3C3C3C3CC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s9;s7;s2s7s9;s10;s10;s11;s11;s3s5s8;s16;s16;s4s6s15;s18;s19;s3;s1s21s22;s23;s23;s4;s9;s10;s11;s7;s13;s13;s13;s14;s14;s14;s8;s15;s15;s18;s19;s21;s22;s23;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-6.4553,-1.5964,-.9662;1.2868,-1.4249,-1.0212;4.9896,1.1559,-1.716;-1.3405,-.9396,4.5265;3.7071,2.7285,-.7205;-1.112,.5948,2.9264;-.0367,-.3553,.4689;2.8639,.7091,-1.3197;1.5367,.9557,-.8236;.6777,1.7515,-1.8355;-.7344,-1.5235,.959;.9271,-.3996,-.473;-.6286,2.2592,-1.2347;.4311,.9851,-3.1281;-.5148,-1.6942,2.4615;-2.1911,-1.5253,.5284;3.8449,1.6303,-1.208;-2.4838,-1.3477,-.8227;-3.2507,-1.7434,1.3991;-1.0233,-.5458,3.2993;-3.7844,-1.3693,-1.2904;-4.5634,-1.7653,.9473;6.1552,1.9862,-1.6274;-4.8251,-1.5737,-.3961;7.0973,1.5149,-2.7176;6.7755,1.882,-.2453;-1.7881,.0659,5.4311;1.6152,1.5609,.0857;1.2858,2.6301,-2.0691;-.2558,-2.3799,.4781;-.2763,.524,.9;-1.1026,2.9664,-1.9156;-.4647,2.7863,-.292;-1.3488,1.4595,-1.0552;-.0474,1.6316,-3.8644;-.2256,.1264,-2.9767;1.3582,.6192,-3.5686;3.0613,-.2048,-1.6965;-.9426,-2.6357,2.8089;.5624,-1.7741,2.6382;-1.6783,-1.1998,-1.5313;-3.0848,-1.9091,2.4555;-3.9887,-1.2325,-2.3432;-5.3747,-1.9316,1.6421;5.8692,3.024,-1.8166;7.4005,.4787,-2.5618;7.9975,2.1294,-2.7201;6.6377,1.5922,-3.7028;6.0944,2.2382,.5257;7.0542,.8515,-.019;7.6789,2.4908,-.1946;-2.6944,.5519,5.0703;-1.9964,-.4464,6.366;-1.0245,.8262,5.5943; 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 4 371.6666999999997 AuxInfo=1/0/N:13,14,25,26,27,18,19,21,22,15,10,23,16,24,11,20,9,12,17,1,7,8,6,2,5,4,3/E:(1,2)(3,4)(6,7)(8,9)/CRV:6.3,7.3,8.3,9.3,13.3,14.3,16.3,18.3,19.3,23.1,24.1,25.1/rA:54nClO1OOO1O1NNCCCC3CCCC3C3C3C3C3C3C3CC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s9;s7;s2s7s9;s10;s10;s11;s11;s3s5s8;s16;s16;s4s6s15;s18;s19;s3;s1s21s22;s23;s23;s4;s9;s10;s11;s7;s13;s13;s13;s14;s14;s14;s8;s15;s15;s18;s19;s21;s22;s23;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-6.4553,-1.5964,-.9662;1.2868,-1.4249,-1.0212;4.9896,1.1559,-1.716;-1.3405,-.9396,4.5265;3.7071,2.7285,-.7205;-1.112,.5948,2.9264;-.0367,-.3553,.4689;2.8639,.7091,-1.3197;1.5367,.9557,-.8236;.6777,1.7515,-1.8355;-.7344,-1.5235,.959;.9271,-.3996,-.473;-.6287,2.2592,-1.2347;.4311,.9851,-3.1281;-.5148,-1.6942,2.4615;-2.1911,-1.5253,.5284;3.8449,1.6303,-1.208;-2.4838,-1.3477,-.8227;-3.2506,-1.7434,1.3991;-1.0233,-.5458,3.2993;-3.7844,-1.3693,-1.2904;-4.5634,-1.7653,.9473;6.1552,1.9862,-1.6274;-4.8251,-1.5737,-.3961;7.0973,1.5149,-2.7176;6.7755,1.882,-.2453;-1.7881,.0659,5.4311;1.6152,1.5609,.0857;1.2858,2.6301,-2.0691;-.2558,-2.3799,.4781;-.2763,.524,.9;-1.1026,2.9664,-1.9156;-.4647,2.7863,-.292;-1.3488,1.4595,-1.0552;-.0474,1.6316,-3.8644;-.2256,.1264,-2.9767;1.3582,.6192,-3.5686;3.0613,-.2048,-1.6965;-.9426,-2.6357,2.8089;.5624,-1.7741,2.6382;-1.6783,-1.1998,-1.5313;-3.0848,-1.9091,2.4555;-3.9887,-1.2325,-2.3432;-5.3747,-1.9316,1.6421;5.8692,3.024,-1.8166;7.4005,.4787,-2.5618;7.9975,2.1294,-2.7201;6.6377,1.5922,-3.7028;6.0944,2.2382,.5257;7.0542,.8515,-.019;7.6789,2.4908,-.1946;-2.6944,.5519,5.0703;-1.9964,-.4464,6.366;-1.0245,.8262,5.5943; -1686.33491377 2693.54634880 -4379.88126257 -7662.31866560 3282.43740303 -3366.72539322 1680.39047945 2.00353753 106.000095948864 106.000095948864 212.000191897729 -138.349794567261 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 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.2731 -525.2356 -524.1388 -523.5144 -522.5947 -522.1915 -393.2781 -392.8235 -283.7812 -283.3612 -282.6248 -281.6100 -281.5216 -281.4502 -281.1846 -280.9477 -280.6054 -280.4483 -280.2794 -280.2474 -280.2294 -280.1615 -279.8790 -279.3392 -279.3200 -279.2273 -279.2242 -260.5452 -199.3805 -199.1448 -199.1367 -34.1516 -33.2608 -31.8748 -31.5696 -30.6004 -28.9176 -28.4742 -27.8033 -26.4185 -25.4999 -25.1402 -24.6058 -24.1153 -23.9701 -23.0627 -22.6346 -21.9443 -21.8255 -21.3115 -20.1631 -20.0813 -19.5186 -19.3270 -19.0748 -18.7806 -18.2236 -17.9231 -17.6117 -17.2550 -16.8243 -16.6622 -16.3263 -16.1580 -16.0093 -15.8848 -15.7179 -15.5837 -15.3693 -15.1713 -15.0143 -14.8012 -14.6738 -14.6262 -14.4821 -14.3574 -14.0300 -13.9546 -13.8209 -13.5867 -13.5424 -13.3887 -13.3194 -13.2020 -13.1710 -12.9315 -12.8866 -12.7591 -12.4975 -12.4218 -12.3161 -11.9465 -11.9052 -11.7669 -11.7009 -11.5872 -11.5460 -11.2149 -10.8209 -10.5410 -10.1679 -10.0478 -9.8646 -9.7541 -9.3569 -8.9846 1.1412 1.2417 1.9791 2.5369 2.7352 3.1497 3.1929 3.4147 3.5480 3.8337 3.9436 3.9934 4.0912 4.2048 4.4180 4.5060 4.5527 4.6298 4.7033 4.8757 4.9511 5.1199 5.1683 5.1923 5.2608 5.3265 5.4461 5.4786 5.5838 5.8638 5.9344 5.9731 6.0663 6.1994 6.2784 6.3743 6.4969 6.5389 6.6121 6.6253 6.7368 6.9590 7.1317 7.1844 7.2987 7.4977 7.5464 7.7334 7.8499 7.9294 8.1169 8.1654 8.2186 8.2770 8.3399 8.4570 8.5296 8.6616 8.7672 8.8850 8.9302 8.9854 9.1741 9.3113 9.4421 9.5967 9.6830 9.7866 9.9578 10.0592 10.1285 10.2413 10.4195 10.5041 10.6114 10.6652 10.7979 11.0016 11.0454 11.0989 11.1776 11.2454 11.3635 11.6055 11.6459 11.7383 11.8617 11.9518 12.0122 12.1333 12.2027 12.3259 12.3732 12.4758 12.5058 12.5317 12.7248 12.8595 12.9653 13.0693 13.2475 13.2813 13.3564 13.4072 13.6066 13.6479 13.7146 13.8297 13.8738 13.9929 14.0294 14.0735 14.1118 14.1862 14.2743 14.3786 14.4445 14.4979 14.6000 14.6433 14.6661 14.7215 14.8038 14.9174 14.9796 15.0591 15.1757 15.2522 15.2961 15.3331 15.3866 15.4647 15.6267 15.7848 15.8656 16.0120 16.0892 16.1593 16.2603 16.4289 16.5198 16.6232 16.7100 16.8595 16.9423 17.1585 17.2838 17.5248 17.5485 17.7184 17.7866 17.8742 17.9903 18.0454 18.2142 18.4448 18.4806 18.5521 18.6761 18.8274 18.9464 19.0377 19.0792 19.3189 19.3979 19.4889 19.8743 19.9799 20.0247 20.1064 20.1373 20.2634 20.5330 20.6839 20.8368 20.9373 21.1032 21.2173 21.2842 21.5072 21.5764 21.7648 21.9795 22.0282 22.1581 22.2404 22.4011 22.6347 22.7510 22.9649 23.0103 23.1152 23.2977 23.3938 23.4685 23.6673 23.9024 23.9817 24.1295 24.2706 24.4235 24.5597 24.6789 24.8825 24.9628 25.0480 25.3339 25.4028 25.5599 25.6949 25.7877 25.9893 26.0326 26.1471 26.3518 26.3710 26.5339 26.5818 26.8505 27.0419 27.1209 27.2533 27.5008 27.5479 27.6374 27.6880 27.7829 27.9685 28.1215 28.1808 28.3539 28.4825 28.6212 28.6960 28.7611 28.8863 28.9055 29.1124 29.2117 29.3404 29.4594 29.6951 29.8407 29.8997 30.0180 30.0859 30.2504 30.3018 30.4664 30.6376 30.8071 30.9906 31.1043 31.1124 31.2713 31.3758 31.4564 31.6177 31.7298 31.8137 32.0689 32.1977 32.3767 32.5078 32.5712 32.7046 32.8882 33.0313 33.0982 33.1181 33.2565 33.6128 33.6615 33.8077 34.0230 34.1163 34.2144 34.2616 34.4299 34.6135 34.7218 34.9590 35.0385 35.2335 35.3456 35.4092 35.7159 35.7769 35.8708 35.9553 36.2280 36.3710 36.4481 36.6124 37.0318 37.1250 37.2305 37.3649 37.4171 37.5641 37.7074 37.7716 37.9069 38.0575 38.0996 38.3627 38.3972 38.4423 38.5770 38.7966 38.9541 39.0547 39.2378 39.3700 39.4634 39.5395 39.6518 39.7738 39.9452 40.0876 40.2066 40.3705 40.6137 40.6447 40.8213 40.9058 40.9769 41.1799 41.2966 41.3802 41.4421 41.6135 41.7148 41.8745 41.9197 42.0193 42.1296 42.2418 42.3414 42.5018 42.5404 42.7248 42.8419 42.9134 43.0127 43.1427 43.2428 43.4970 43.6440 43.7798 43.8247 44.0506 44.1702 44.2421 44.3058 44.4452 44.5316 44.6730 44.8396 44.9561 45.0646 45.2306 45.2967 45.4085 45.5082 45.6858 45.8550 46.0116 46.0535 46.2170 46.3897 46.5299 46.5985 46.7795 46.8507 46.9469 47.2537 47.4822 47.5048 47.6727 47.7582 47.7926 48.1241 48.1742 48.3238 48.5488 48.7438 49.0536 49.1759 49.2419 49.4393 49.6204 49.9170 50.0813 50.1925 50.2658 50.7295 50.9503 51.0709 51.3790 51.4672 51.8056 51.9421 52.0003 52.2441 52.3240 52.4884 52.7745 52.9909 53.0383 53.3081 53.4895 53.6705 53.9282 54.3987 54.5692 54.8514 55.1365 55.5373 55.8672 55.9708 56.1143 56.3314 56.5727 56.6758 56.8870 57.0009 57.0964 57.4132 57.5088 57.6874 57.7996 58.0297 58.1935 58.3855 58.7373 58.7727 58.9712 59.1695 59.3602 59.5247 59.6084 59.8292 59.9644 60.0864 60.3513 60.5633 60.6139 60.6865 61.0129 61.1831 61.3374 61.4888 61.6976 62.0803 62.3281 62.5251 62.8833 62.9699 63.1172 63.1733 63.4654 63.7778 64.0075 64.1840 64.4699 64.7338 64.8449 64.9404 65.1263 65.3728 65.5262 65.7508 65.8651 66.1253 66.1788 66.7010 66.9976 67.2598 67.3659 67.5594 67.7355 67.7981 67.8547 68.4685 68.6505 68.9588 69.2361 69.3745 69.9414 69.9797 70.2279 70.2675 70.5162 70.7073 70.9855 71.0708 71.1872 71.7721 71.8619 71.8976 72.1293 72.2145 72.2766 72.5652 72.7166 72.7990 73.0637 73.6186 73.6709 73.9299 74.2542 74.7627 74.9297 75.0844 75.1520 75.4984 75.7669 75.9288 76.1479 76.2557 76.5634 76.7725 76.8461 77.0049 77.1322 77.2507 77.2973 77.5426 77.8353 78.0206 78.1168 78.1444 78.2994 78.4204 78.5905 78.8733 78.9766 79.2562 79.2967 79.4692 79.5886 79.5992 79.6820 79.8446 79.9138 79.9863 80.2265 80.3492 80.3796 80.4452 80.6014 80.6702 80.7126 80.8361 81.1056 81.2566 81.4829 81.5516 81.7493 81.8125 81.8705 82.0327 82.1640 82.3412 82.5734 82.6177 82.8315 82.9996 83.1052 83.2262 83.3313 83.4547 83.6563 83.7323 83.9099 84.0198 84.0956 84.2448 84.3625 84.5169 84.5434 84.6881 84.8952 85.0183 85.0534 85.1286 85.4045 85.5611 85.5832 85.6195 85.7214 85.8129 86.0899 86.2008 86.3213 86.4934 86.6881 86.7716 86.9207 86.9505 87.0246 87.2189 87.3899 87.6028 87.6306 87.8760 87.9788 88.2994 88.3542 88.4694 88.5287 88.6650 88.7673 88.9087 88.9645 89.2185 89.3008 89.4523 89.5611 89.5903 89.7962 89.8524 89.8923 90.3166 90.5055 90.5496 90.6601 90.8636 90.8711 90.9839 91.1317 91.2053 91.3594 91.4657 91.6566 91.7480 91.8660 91.9877 92.1662 92.2499 92.3512 92.4771 92.5720 92.8069 92.8753 92.9550 93.0271 93.1732 93.3528 93.5882 93.7739 93.8296 93.8398 93.9838 94.1246 94.2743 94.4209 94.5561 94.6138 94.7068 94.8614 95.0914 95.2415 95.3282 95.5223 95.7771 95.9149 96.0337 96.1565 96.4670 96.5610 96.7278 96.7805 96.8321 97.0573 97.1515 97.2754 97.4318 97.5465 97.6208 97.7875 97.8265 98.0425 98.0803 98.2068 98.3493 98.4901 98.5239 98.5957 98.7365 98.7715 99.0036 99.1952 99.2281 99.3749 99.4961 99.6324 99.6894 99.8449 100.0223 100.0925 100.2009 100.3567 100.5262 100.7599 100.9062 101.0081 101.1696 101.3118 101.4371 101.7243 101.8815 102.1983 102.2830 102.3419 102.6589 102.7782 102.8367 102.9550 102.9830 103.4633 103.5871 103.7225 103.9360 104.0215 104.1248 104.4437 104.5727 104.8181 105.0590 105.1972 105.2541 105.2964 105.5929 105.6309 105.7938 105.9321 106.1112 106.1345 106.4727 106.6797 106.8262 106.8651 106.9439 107.1248 107.1839 107.3737 107.4634 107.7086 107.7875 108.0581 108.2464 108.3453 108.4972 108.7227 108.7421 109.0087 109.1421 109.3191 109.5478 109.6918 109.8405 110.0344 110.1715 110.2883 110.3866 110.6590 110.6721 110.7795 110.9177 111.0214 111.1635 111.4217 111.4881 111.5779 111.7148 111.8257 112.0992 112.4815 112.5724 112.7357 112.8464 112.9496 113.0344 113.2684 113.4590 113.5102 113.5800 113.6960 113.7907 114.0939 114.2107 114.3381 114.4648 114.5311 114.7354 114.8847 115.0152 115.1508 115.3292 115.3775 115.5279 115.7444 115.8488 116.0968 116.2535 116.3339 116.4050 116.6824 116.7458 116.8841 116.9806 117.0415 117.3035 117.4345 117.6046 117.6654 117.8596 118.0647 118.0836 118.2647 118.4109 118.5387 118.5716 118.8270 119.0412 119.2154 119.2526 119.4690 119.5410 119.8393 120.0685 120.2175 120.3475 120.6294 120.6711 120.8442 120.9559 121.2741 121.3693 121.5810 121.7306 121.7878 121.8900 122.0737 122.2765 122.6080 122.8090 122.9555 123.1944 123.3055 123.5149 123.5882 123.8830 124.3614 124.6536 124.7874 125.0626 125.2873 125.4720 125.5982 125.7896 125.8765 125.9843 126.3488 126.5388 126.7503 127.2290 127.4476 127.6732 127.7511 127.9753 128.0807 128.2862 128.4828 128.4976 128.6724 128.8566 129.2883 129.4267 129.6286 129.7657 130.2964 130.5464 130.6207 130.8218 131.0249 131.1711 131.4344 131.5968 131.7355 131.8434 131.9831 132.2504 132.3342 132.4995 132.6639 132.7938 133.1868 133.2585 133.4894 133.5625 133.6798 134.1391 134.3762 134.6919 134.7779 135.1405 135.4387 135.7521 136.1564 136.2824 136.4219 136.5738 136.9038 137.1201 137.2177 137.5169 137.8919 138.0214 138.1656 138.4293 138.5496 138.9405 138.9982 139.2872 139.4704 139.8755 140.1282 140.5870 140.7371 141.0482 141.4229 141.4528 141.7164 141.7943 142.2445 142.3706 142.4677 142.5358 143.0495 143.1064 143.3413 143.5320 143.8180 143.9445 144.2323 144.4270 144.5151 144.8785 145.1065 145.2139 145.3456 145.4158 145.7126 145.7458 146.0041 146.0827 146.2981 146.6026 147.1210 147.2604 147.4852 147.7471 147.8323 147.9653 148.1690 148.2153 148.3965 148.5126 148.6020 148.9171 149.0864 149.2382 149.4890 149.6795 149.8879 150.0191 150.1435 150.4013 150.7697 150.9254 151.1778 151.2443 151.5174 151.6420 151.9932 152.2299 152.5680 152.7583 152.9023 153.0436 153.2446 153.3234 153.6338 153.6609 153.9895 154.1056 154.2928 154.5442 154.6507 154.8509 155.1482 155.3965 155.5616 155.9408 156.1800 156.3484 156.8462 156.9356 157.1946 157.2773 157.5445 157.6090 157.8227 157.9538 158.0785 158.3814 158.7493 158.8185 158.8758 159.1592 159.9114 160.0308 160.3436 160.7605 161.2909 161.6459 161.6933 162.4533 162.9132 163.0885 163.2620 164.3015 164.9037 166.0014 167.9789 168.4804 168.5527 169.1561 170.2868 170.8731 171.4723 172.6324 172.8900 173.1758 173.8654 174.1254 175.2310 176.7649 177.5802 178.0588 178.2391 178.5147 179.1915 179.3864 179.7676 181.6927 182.3859 182.8485 183.5954 185.1454 185.6653 186.1440 186.6707 187.4561 187.7936 188.9591 189.9661 190.3386 191.0684 192.0957 193.8729 195.0231 195.3050 196.7166 197.1182 198.6958 200.1577 200.2537 203.2785 205.3007 206.7783 208.0975 221.6685 223.0658 223.5334 227.5359 229.7287 294.9810 297.6535 312.7126 616.1729 626.5036 631.7215 633.8677 634.3372 635.4681 636.3282 637.7725 638.3221 639.8632 640.4899 643.8618 644.9443 645.7780 646.7100 647.2277 648.5570 650.3662 655.5958 713.4204 904.0607 905.2603 1198.8576 1199.5315 1203.1793 1207.0032 1212.6166 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 47 48 49 50 51 52 53 Cl O O O O O N N 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 H H H H H H H -0.076512 -0.427093 -0.321480 -0.266385 -0.443914 -0.388154 -0.211873 -0.256239 0.070940 0.078116 0.184255 0.228943 -0.326893 -0.288521 -0.166539 -0.011242 0.457945 -0.228406 -0.130354 0.349559 -0.141756 -0.145851 0.147641 0.109554 -0.231323 -0.258517 -0.130608 0.105276 0.058779 0.113305 0.181457 0.095602 0.101201 0.083991 0.091967 0.077428 0.093714 0.162835 0.108674 0.112248 0.170890 0.108653 0.120599 0.116164 0.060620 0.081872 0.076104 0.090404 0.101943 0.080289 0.080331 0.113099 0.122372 0.114888 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 Cl O O O O O N N 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 H H H H H H H 17.0765 8.4271 8.3215 8.2664 8.4439 8.3882 7.2119 7.2562 5.9291 5.9219 5.8157 5.7711 6.3269 6.2885 6.1665 6.0112 5.5421 6.2284 6.1304 5.6504 6.1418 6.1459 5.8524 5.8904 6.2313 6.2585 6.1306 0.8947 0.9412 0.8867 0.8185 0.9044 0.8988 0.9160 0.9080 0.9226 0.9063 0.8372 0.8913 0.8878 0.8291 0.8913 0.8794 0.8838 0.9394 0.9181 0.9239 0.9096 0.8981 0.9197 0.9197 0.8869 0.8776 0.8851 17.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 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 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0765 -0.4271 -0.3215 -0.2664 -0.4439 -0.3882 -0.2119 -0.2562 0.0709 0.0781 0.1843 0.2289 -0.3269 -0.2885 -0.1665 -0.0112 0.4579 -0.2284 -0.1304 0.3496 -0.1418 -0.1459 0.1476 0.1096 -0.2313 -0.2585 -0.1306 0.1053 0.0588 0.1133 0.1815 0.0956 0.1012 0.0840 0.0920 0.0774 0.0937 0.1628 0.1087 0.1122 0.1709 0.1087 0.1206 0.1162 0.0606 0.0819 0.0761 0.0904 0.1019 0.0803 0.0803 0.1131 0.1224 0.1149 1.2288 2.0669 2.0916 2.1332 2.0641 2.0854 3.1780 3.1911 3.9026 3.7334 3.7615 4.2469 3.9619 3.9516 3.9202 3.8879 4.3556 4.0045 3.9570 4.1024 4.0524 4.0887 3.8749 3.9198 3.9310 3.9007 3.8879 1.0390 1.0272 1.0385 1.0258 1.0103 1.0033 1.0018 1.0016 1.0068 1.0179 1.0538 1.0180 1.0142 0.9843 1.0238 1.0160 1.0170 1.0241 1.0089 1.0080 1.0110 1.0197 1.0089 1.0098 0.9946 0.9928 0.9956 1.2288 2.0669 2.0916 2.1332 2.0641 2.0854 3.1780 3.1911 3.9026 3.7334 3.7615 4.2469 3.9619 3.9516 3.9202 3.8879 4.3556 4.0045 3.9570 4.1024 4.0524 4.0887 3.8749 3.9198 3.9310 3.9007 3.8879 1.0390 1.0272 1.0385 1.0258 1.0103 1.0033 1.0018 1.0016 1.0068 1.0179 1.0538 1.0180 1.0142 0.9843 1.0238 1.0160 1.0170 1.0241 1.0089 1.0080 1.0110 1.0197 1.0089 1.0098 0.9946 0.9928 0.9956 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.9984 1.8802 1.1590 0.8831 1.1881 0.8875 1.8704 1.9032 0.8327 1.2823 0.9517 0.9350 1.2528 0.9507 0.9120 0.9294 1.0155 0.9184 0.9270 1.0015 0.8814 0.9814 1.0011 0.9945 1.0077 0.9785 0.9942 0.9766 0.9933 0.9507 1.0309 0.9732 1.4081 1.3696 1.4867 0.9383 1.4748 0.9401 1.3947 0.9699 1.4231 0.9666 0.9590 0.9578 1.0074 0.9860 0.9892 0.9933 0.9882 0.9855 0.9877 0.9782 0.9823 0.9808 0 23 1 11 2 16 2 22 3 19 3 26 4 16 5 19 6 10 6 11 6 30 7 8 7 16 7 37 8 9 8 11 8 27 9 12 9 13 9 28 10 14 10 15 10 29 12 31 12 32 12 33 13 34 13 35 13 36 14 19 14 38 14 39 15 17 15 18 17 20 17 40 18 21 18 41 20 23 20 42 21 23 21 43 22 24 22 25 22 44 24 45 24 46 24 47 25 48 25 49 25 50 26 51 26 52 26 53 -0.028779901 -1686.363693672948 39.91047 -39.98419 -0.07373 16.54321 -16.91445 -0.37123 -2.45802 3.78689 1.32887 1.38172 3.51205