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:-6.1972,-2.4598,-.532;1.2903,-1.8632,-.3962;5.1758,.6356,-.4801;-2.6031,1.5091,3.239;3.5071,2.1517,-.354;-1.5493,2.0683,1.3553;.1003,-.0562,.2715;3.1844,.0846,-1.2523;1.7678,.2132,-1.48;1.3927,-.1696,-2.9206;-.698,-.754,1.2469;1.0309,-.68,-.4831;2.1195,.7237,-3.9182;-.1163,-.0969,-3.1306;-.8698,.0843,2.523;-2.0526,-1.1978,.73;3.9187,1.0584,-.6603;-2.7152,-.5343,-.2946;-2.6909,-2.2703,1.3435;-1.6978,1.3236,2.2913;-3.9865,-.9214,-.6904;-3.9607,-2.6684,.9625;6.1179,1.5524,.0947;-4.6067,-1.9827,-.0537;6.6267,2.5252,-.954;7.2297,.702,.6766;-3.4431,2.6524,3.1143;1.512,1.2641,-1.323;1.7069,-1.2069,-3.08;-.1364,-1.6484,1.5244;-.0444,.9363,.1677;3.2013,.6604,-3.8114;1.8339,1.7701,-3.7899;1.8707,.4374,-4.9406;-.3663,-.3102,-4.1699;-.4988,.9019,-2.9044;-.6598,-.8152,-2.517;3.5815,-.8385,-1.3295;-1.3217,-.5283,3.3025;.1161,.3933,2.8839;-2.244,.2963,-.8019;-2.1866,-2.8159,2.1328;-4.491,-.3962,-1.4895;-4.4416,-3.5068,1.4468;5.6275,2.1111,.8962;5.8231,3.1439,-1.3492;7.1021,1.9952,-1.7809;7.37,3.1906,-.5133;7.9748,1.34,1.152;6.8516,.0115,1.4302;7.7327,.1213,-.0977;-2.8669,3.5771,3.1384;-4.0209,2.6208,2.1909;-4.117,2.621,3.9659; 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 2704.7753908863 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 6.757e-06 Time for diagonalization 0.536 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.257 sec Total time needed 0.799 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:-6.1972,-2.4598,-.532;1.2903,-1.8632,-.3962;5.1758,.6356,-.4801;-2.6031,1.5091,3.239;3.5071,2.1517,-.354;-1.5493,2.0683,1.3553;.1003,-.0562,.2715;3.1844,.0846,-1.2523;1.7678,.2132,-1.48;1.3927,-.1696,-2.9206;-.698,-.754,1.2469;1.0309,-.68,-.4831;2.1195,.7237,-3.9182;-.1163,-.0969,-3.1306;-.8698,.0843,2.523;-2.0526,-1.1978,.73;3.9187,1.0584,-.6603;-2.7152,-.5343,-.2946;-2.6909,-2.2703,1.3435;-1.6978,1.3236,2.2914;-3.9865,-.9214,-.6904;-3.9607,-2.6684,.9625;6.1179,1.5524,.0947;-4.6067,-1.9827,-.0537;6.6267,2.5252,-.954;7.2297,.702,.6766;-3.4431,2.6524,3.1143;1.512,1.2641,-1.323;1.7069,-1.207,-3.08;-.1364,-1.6484,1.5244;-.0444,.9363,.1677;3.2013,.6604,-3.8114;1.8339,1.7701,-3.7899;1.8707,.4374,-4.9406;-.3663,-.3102,-4.1699;-.4988,.9019,-2.9044;-.6598,-.8152,-2.517;3.5815,-.8385,-1.3295;-1.3217,-.5283,3.3025;.1161,.3933,2.8839;-2.244,.2963,-.8019;-2.1866,-2.8159,2.1328;-4.491,-.3962,-1.4895;-4.4416,-3.5068,1.4468;5.6275,2.1111,.8962;5.8231,3.1439,-1.3492;7.1021,1.9952,-1.7809;7.37,3.1906,-.5133;7.9748,1.34,1.152;6.8516,.0115,1.4302;7.7327,.1213,-.0977;-2.8669,3.5771,3.1384;-4.0209,2.6208,2.1909;-4.117,2.621,3.9659; 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:-6.1972,-2.4598,-.532;1.2903,-1.8632,-.3962;5.1758,.6356,-.4801;-2.6031,1.5091,3.239;3.5071,2.1517,-.354;-1.5493,2.0683,1.3553;.1003,-.0562,.2715;3.1844,.0846,-1.2523;1.7678,.2132,-1.48;1.3927,-.1696,-2.9206;-.698,-.754,1.2469;1.0309,-.68,-.4831;2.1195,.7237,-3.9182;-.1163,-.0969,-3.1306;-.8698,.0843,2.523;-2.0526,-1.1978,.73;3.9187,1.0584,-.6603;-2.7152,-.5343,-.2946;-2.6909,-2.2703,1.3435;-1.6978,1.3236,2.2913;-3.9865,-.9214,-.6904;-3.9607,-2.6684,.9625;6.1179,1.5524,.0947;-4.6067,-1.9827,-.0537;6.6267,2.5252,-.954;7.2297,.702,.6766;-3.4431,2.6524,3.1143;1.512,1.2641,-1.323;1.7069,-1.2069,-3.08;-.1364,-1.6484,1.5244;-.0444,.9363,.1677;3.2013,.6604,-3.8114;1.8339,1.7701,-3.7899;1.8707,.4374,-4.9406;-.3663,-.3102,-4.1699;-.4988,.9019,-2.9044;-.6598,-.8152,-2.517;3.5815,-.8385,-1.3295;-1.3217,-.5283,3.3025;.1161,.3933,2.8839;-2.244,.2963,-.8019;-2.1866,-2.8159,2.1328;-4.491,-.3962,-1.4895;-4.4416,-3.5068,1.4468;5.6275,2.1111,.8962;5.8231,3.1439,-1.3492;7.1021,1.9952,-1.7809;7.37,3.1906,-.5133;7.9748,1.34,1.152;6.8516,.0115,1.4302;7.7327,.1213,-.0977;-2.8669,3.5771,3.1384;-4.0209,2.6208,2.1909;-4.117,2.621,3.9659; -1686.33525110 2704.77539089 -4391.11064198 -7685.06514634 3293.95450436 -3366.74176449 1680.40651339 2.00352816 106.000130622300 106.000130622300 212.000261244600 -138.347217959023 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 -2765.2264 -525.1232 -524.2383 -523.3714 -522.3883 -522.2949 -393.2002 -392.9713 -283.6388 -283.4753 -282.3953 -281.5520 -281.3939 -281.3700 -281.2641 -280.8759 -280.5077 -280.3156 -280.1918 -280.1669 -280.1652 -280.1019 -279.9204 -279.4010 -279.3604 -279.2727 -279.2271 -260.4985 -199.3336 -199.0982 -199.0903 -34.0323 -33.3635 -31.6858 -31.4285 -30.6970 -28.7961 -28.5825 -27.7421 -26.3555 -25.4786 -25.1382 -24.6721 -24.0310 -23.8626 -22.9698 -22.5757 -21.9987 -21.8447 -21.1594 -20.2965 -20.0237 -19.4487 -19.0974 -18.9066 -18.7313 -18.3610 -17.9400 -17.5292 -17.2074 -16.7811 -16.6763 -16.3404 -16.2462 -16.0963 -15.9148 -15.6797 -15.2938 -15.2356 -15.1483 -14.9927 -14.8876 -14.6103 -14.5612 -14.4444 -14.2191 -13.9236 -13.8915 -13.6003 -13.4975 -13.4589 -13.3591 -13.3221 -13.3020 -13.2369 -13.0536 -12.7922 -12.7381 -12.4332 -12.4166 -12.3270 -11.9411 -11.8453 -11.7308 -11.6382 -11.5750 -11.4602 -11.1726 -10.6958 -10.6469 -10.2031 -10.1110 -9.8098 -9.7103 -9.2029 -9.0278 1.2502 1.3369 1.9855 2.6899 2.8397 3.1026 3.2445 3.2914 3.5513 3.7169 3.8628 4.0372 4.1370 4.2641 4.4060 4.5065 4.5672 4.6775 4.7221 4.7492 4.8838 5.0046 5.0436 5.1109 5.2739 5.3321 5.4400 5.4784 5.7122 5.7677 5.8299 5.9226 5.9966 6.0471 6.2766 6.3392 6.4628 6.5181 6.6112 6.6548 6.7759 6.7832 6.9440 7.2534 7.3490 7.5459 7.5887 7.7780 7.8216 7.9015 8.1030 8.2175 8.2362 8.3076 8.4561 8.5384 8.5475 8.6297 8.6848 8.7428 8.9327 8.9498 9.1080 9.1440 9.2655 9.6156 9.6898 9.8056 9.9393 10.0227 10.0557 10.1715 10.4058 10.5922 10.6263 10.6942 10.8245 10.9474 11.0847 11.1522 11.2300 11.3117 11.4166 11.5397 11.5498 11.6750 11.8306 11.9549 12.0351 12.0913 12.2528 12.3465 12.3762 12.5158 12.5671 12.6517 12.8031 12.8840 12.9350 13.0296 13.1831 13.2390 13.4166 13.5005 13.5213 13.6294 13.6635 13.7450 13.8040 13.9101 13.9398 13.9766 14.0352 14.1801 14.2453 14.3276 14.4159 14.4713 14.4911 14.5867 14.6578 14.7387 14.7619 14.8750 14.8888 14.9511 14.9885 15.0369 15.1341 15.2310 15.2675 15.4155 15.4806 15.5169 15.7073 15.7658 15.9339 16.0177 16.0959 16.1755 16.4871 16.5306 16.5542 16.6088 16.8459 17.0096 17.1581 17.4171 17.4892 17.6273 17.7289 17.7730 17.8321 17.9476 18.0090 18.2113 18.3531 18.6120 18.6989 18.7975 18.8107 18.9510 19.0196 19.1111 19.1900 19.5868 19.7529 19.7875 19.9532 20.0966 20.2972 20.3984 20.5175 20.6339 20.7292 21.0093 21.0575 21.1211 21.3046 21.4771 21.5707 21.8370 21.9979 22.1606 22.2729 22.3365 22.5222 22.6098 22.7399 22.8490 23.0005 23.1653 23.2499 23.4579 23.6431 23.8283 23.8711 24.1282 24.2328 24.2484 24.5564 24.6097 24.6923 24.8270 24.9207 25.0754 25.1704 25.4154 25.5869 25.8169 25.9013 25.9690 26.0906 26.1865 26.2349 26.5049 26.5828 26.7022 26.7970 27.0532 27.2056 27.3922 27.4727 27.5766 27.6800 27.9795 28.0499 28.1564 28.2366 28.3501 28.4346 28.5628 28.6152 28.6329 28.7719 28.7850 29.0534 29.1844 29.2650 29.3214 29.3822 29.5135 29.7100 29.8307 29.8876 30.1109 30.2241 30.2776 30.4839 30.6209 30.6579 30.8174 30.8523 31.0639 31.2966 31.4318 31.4951 31.6621 31.7280 31.9335 32.0478 32.1421 32.3029 32.5299 32.6425 32.7701 32.8349 32.9892 33.0606 33.1376 33.2922 33.3599 33.5154 33.7579 33.9847 34.0559 34.1709 34.2588 34.4803 34.6060 34.7322 34.7861 34.8541 35.0250 35.1643 35.5656 35.6515 35.7508 35.9353 36.1578 36.3827 36.4574 36.5993 36.6950 36.9039 37.0585 37.0866 37.2203 37.2877 37.4609 37.5437 37.7108 37.9293 37.9902 38.1318 38.2502 38.2817 38.5191 38.7318 38.8507 38.9111 38.9807 39.2612 39.3409 39.5267 39.6117 39.7277 39.8383 39.9064 40.0376 40.2482 40.4023 40.4470 40.5625 40.7769 40.8474 40.8855 41.0310 41.1335 41.2135 41.2914 41.5029 41.5771 41.6835 41.7575 41.9859 42.0919 42.1607 42.3052 42.4136 42.5139 42.5774 42.7374 42.7617 42.8927 42.9995 43.1607 43.3946 43.5557 43.7493 43.7664 43.8953 44.0536 44.1627 44.2574 44.3324 44.5345 44.5532 44.7328 44.8465 44.9705 45.2413 45.2967 45.3379 45.5007 45.6281 45.6751 45.7510 45.8024 46.1671 46.2758 46.4067 46.4689 46.6848 46.8712 46.9501 47.2386 47.3641 47.5876 47.6035 47.7667 47.9551 48.0917 48.1050 48.4093 48.5577 48.6898 48.8317 49.0993 49.2598 49.5307 49.5786 49.7576 49.8199 50.2872 50.4075 50.6331 50.7598 51.0655 51.1988 51.3593 51.6861 51.8719 52.1613 52.2087 52.3991 52.5239 52.8409 52.9390 52.9928 53.3353 53.3607 53.6725 53.8962 54.1216 54.2176 54.6592 54.8992 55.1523 55.5817 55.7961 55.9414 55.9865 56.3826 56.5869 56.8718 57.1084 57.2247 57.4219 57.5965 57.6105 57.8543 58.1258 58.1835 58.4060 58.8146 58.8696 58.9398 59.3414 59.4863 59.5142 59.6454 59.7955 59.9358 59.9723 60.1057 60.1642 60.4842 60.7400 61.0337 61.1173 61.3278 61.6503 62.0826 62.2344 62.4673 62.6224 62.8976 63.0005 63.0797 63.3664 63.6373 63.8937 64.1088 64.2459 64.3578 64.6782 64.8018 64.9148 65.1853 65.2372 65.3517 65.5043 66.0334 66.1680 66.2521 66.6432 66.7767 67.0916 67.2458 67.4504 67.6817 67.9777 68.3769 68.4643 68.6295 68.8483 69.2019 69.2653 69.5343 69.8806 69.9685 70.0540 70.5814 70.6384 70.8646 71.0958 71.3483 71.7136 71.7964 71.8712 71.9341 72.1235 72.3761 72.5078 72.6207 72.8083 73.2696 73.3908 73.5557 73.8170 74.4164 74.5857 74.8584 75.1544 75.3424 75.6379 75.7523 75.8027 76.1577 76.2808 76.3185 76.3679 76.6264 76.7995 77.1014 77.3109 77.5873 77.6772 77.7143 77.9244 78.0888 78.1268 78.3786 78.4661 78.6272 78.6939 79.0276 79.1834 79.3190 79.4262 79.4835 79.6096 79.6722 79.8440 79.8551 79.8946 79.9661 80.1179 80.3335 80.5440 80.7252 80.7712 80.9826 81.1086 81.2793 81.3912 81.4711 81.5867 81.7815 81.8538 81.9864 82.0960 82.1740 82.3693 82.4095 82.4920 82.5858 82.7263 82.9622 83.1085 83.1353 83.3221 83.4960 83.5389 83.6121 83.8224 84.0320 84.0580 84.2880 84.3679 84.5200 84.6346 84.6703 84.7754 84.9705 85.0952 85.1057 85.3621 85.4407 85.6568 85.7796 85.8264 85.9898 86.2603 86.3723 86.4996 86.6607 86.7320 86.8330 87.0328 87.1049 87.1607 87.4284 87.5601 87.5949 87.8673 87.9780 88.1163 88.4304 88.4418 88.5396 88.7149 88.7895 88.8960 88.9361 89.0679 89.2160 89.3176 89.5145 89.6441 89.7512 89.7916 90.1092 90.2793 90.4104 90.4692 90.6042 90.8133 90.8320 90.9870 91.2412 91.3057 91.4268 91.6402 91.7052 91.8614 91.9451 92.0671 92.0917 92.1708 92.2971 92.4226 92.6537 92.8189 92.9073 92.9885 93.0541 93.1191 93.2249 93.4863 93.5653 93.7096 93.7706 93.8944 93.9641 94.1580 94.1987 94.2867 94.5237 94.7501 94.7806 94.9255 95.1378 95.3299 95.4492 95.7105 95.8131 95.9641 96.1173 96.2669 96.2927 96.4726 96.7584 96.8308 96.9011 97.0960 97.2628 97.3092 97.4002 97.4228 97.5494 97.6226 97.6960 97.9806 98.0975 98.2411 98.3183 98.5748 98.6124 98.6889 98.8904 99.0199 99.2332 99.2859 99.4424 99.4763 99.6785 99.7602 99.9639 100.0411 100.1820 100.3122 100.3923 100.5211 100.5398 100.7673 101.0035 101.2099 101.2671 101.4556 101.6083 102.0274 102.0989 102.3050 102.3817 102.4943 102.6118 102.8042 102.8832 103.3021 103.3914 103.5819 103.8458 104.0033 104.2104 104.3474 104.5763 104.7215 104.9292 105.0101 105.1543 105.3623 105.7155 105.8610 105.8667 105.9571 106.0739 106.1766 106.3087 106.4902 106.6016 106.7428 106.8719 106.9825 107.1281 107.2641 107.2995 107.5009 107.5700 107.8839 107.9900 108.2170 108.3449 108.5767 108.5928 108.6721 108.7369 109.1020 109.2462 109.3173 109.4083 109.6189 109.7847 109.8274 110.0085 110.1566 110.3893 110.6023 110.7401 110.7780 110.9820 111.1238 111.1747 111.2115 111.4612 111.5388 111.6850 111.9222 112.1165 112.3747 112.4226 112.7240 112.7770 112.9116 113.0286 113.3245 113.4143 113.5697 113.6044 113.7514 113.8544 114.1601 114.2671 114.3928 114.4428 114.5705 114.7195 114.8559 115.0074 115.1992 115.3274 115.3667 115.5899 115.8162 116.1027 116.1735 116.2311 116.2898 116.4755 116.6055 116.7001 116.9098 117.0483 117.1015 117.2191 117.2548 117.3730 117.5977 117.7770 118.0080 118.0304 118.3031 118.3198 118.4233 118.6047 118.8834 119.0750 119.1221 119.3313 119.4293 119.5558 119.8727 120.0273 120.1997 120.2930 120.6158 120.7281 120.7652 121.0017 121.2560 121.4745 121.5515 121.6878 121.8948 122.1715 122.2926 122.3864 122.4383 122.6050 123.0486 123.1487 123.6619 123.7049 124.0749 124.1905 124.3838 124.5476 124.8684 125.0352 125.4171 125.5948 125.8233 126.1343 126.2896 126.3711 126.5693 126.8504 126.9033 127.0680 127.1276 127.5991 127.7042 127.8379 128.0476 128.2418 128.4657 128.6552 128.9082 129.1977 129.2841 129.5519 129.7000 129.9623 130.2073 130.3432 130.5038 131.0453 131.2957 131.3046 131.4902 131.7093 131.9390 132.1664 132.2756 132.5185 132.5667 132.6722 132.7953 133.1825 133.3233 133.5819 133.8903 134.0448 134.2333 134.3139 134.5637 134.7171 135.1407 135.3896 135.5639 135.7472 135.8582 136.2408 136.3375 136.6243 136.7984 137.2176 137.4798 137.6125 137.7934 138.2429 138.6337 138.6699 139.0513 139.2575 139.3560 139.6615 139.8828 140.1559 140.2620 140.5346 140.7127 140.9999 141.3579 141.7462 141.9276 142.1561 142.4602 142.4750 142.5974 142.7048 143.0553 143.2720 143.5542 143.7676 143.8990 144.1199 144.2719 144.3169 144.7551 144.9764 145.0536 145.2693 145.2996 145.3946 145.7492 145.8645 146.1577 146.2404 146.6992 147.0317 147.1318 147.2178 147.5789 147.6820 147.7746 147.8786 148.1430 148.3038 148.4420 148.5045 148.6563 148.8967 149.2459 149.4482 149.5443 149.6806 149.8365 150.1656 150.3415 150.5464 150.8476 151.1517 151.3791 151.5771 152.0391 152.2023 152.3002 152.6171 152.7717 152.9193 153.1695 153.4333 153.5147 153.6843 153.7927 153.8944 153.9673 154.2238 154.4491 154.6468 154.7477 155.0256 155.1392 155.5542 155.6160 156.1398 156.3639 156.6206 156.7607 156.8915 157.2661 157.4063 157.5483 157.7528 157.8291 158.0708 158.3906 158.6556 158.7399 158.8473 158.9281 159.9267 160.0543 160.2479 160.5130 160.9352 161.1169 161.2984 162.0572 162.8583 162.8964 163.2183 164.6658 165.7853 166.3365 168.0754 168.3914 168.6869 169.4026 170.0529 171.1264 171.5678 172.3191 172.5503 173.1096 173.4943 173.8330 175.2695 177.3451 177.8137 178.2955 178.3934 178.6613 179.0038 179.3660 179.7015 181.7270 182.0617 183.0469 183.5820 185.0293 185.5339 185.8569 186.5926 187.0850 188.6574 188.7819 190.2694 190.3811 190.9638 192.0085 193.8762 194.8153 195.0909 196.8009 197.0288 198.6795 199.8211 200.0422 203.4683 205.8577 206.7718 207.9899 221.7200 223.0703 223.5828 227.5188 229.7628 295.0389 297.5938 312.7523 616.4264 626.4168 631.5572 633.9873 634.1486 635.2646 635.8081 637.1954 637.6312 638.5808 641.0636 644.2564 645.2861 645.7676 646.2917 646.8471 648.4767 648.7869 655.6060 713.2383 904.1844 905.3338 1198.8186 1199.5579 1202.7365 1207.4299 1212.5701 -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 -0.078751 -0.414887 -0.320113 -0.257397 -0.435869 -0.397284 -0.210535 -0.249421 0.024006 0.068346 0.124884 0.262709 -0.270398 -0.323649 -0.128372 0.138924 0.469150 -0.253098 -0.202903 0.373473 -0.124598 -0.127121 0.144654 0.089867 -0.258265 -0.231115 -0.124328 0.089074 0.050322 0.101403 0.171233 0.088869 0.082349 0.087072 0.090950 0.081495 0.109933 0.153747 0.094393 0.109291 0.131140 0.112149 0.120206 0.118241 0.060238 0.104977 0.080066 0.080369 0.076837 0.090982 0.082014 0.111856 0.112187 0.120698 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 17.0788 8.4149 8.3201 8.2574 8.4359 8.3973 7.2105 7.2494 5.9760 5.9317 5.8751 5.7373 6.2704 6.3236 6.1284 5.8611 5.5309 6.2531 6.2029 5.6265 6.1246 6.1271 5.8553 5.9101 6.2583 6.2311 6.1243 0.9109 0.9497 0.8986 0.8288 0.9111 0.9177 0.9129 0.9091 0.9185 0.8901 0.8463 0.9056 0.8907 0.8689 0.8879 0.8798 0.8818 0.9398 0.8950 0.9199 0.9196 0.9232 0.9090 0.9180 0.8881 0.8878 0.8793 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 -0.0788 -0.4149 -0.3201 -0.2574 -0.4359 -0.3973 -0.2105 -0.2494 0.0240 0.0683 0.1249 0.2627 -0.2704 -0.3236 -0.1284 0.1389 0.4691 -0.2531 -0.2029 0.3735 -0.1246 -0.1271 0.1447 0.0899 -0.2583 -0.2311 -0.1243 0.0891 0.0503 0.1014 0.1712 0.0889 0.0823 0.0871 0.0909 0.0815 0.1099 0.1537 0.0944 0.1093 0.1311 0.1121 0.1202 0.1182 0.0602 0.1050 0.0801 0.0804 0.0768 0.0910 0.0820 0.1119 0.1122 0.1207 1.2272 2.1163 2.0904 2.1509 2.0725 2.0854 3.1457 3.1478 3.9399 3.7927 3.8403 4.2108 3.9342 3.9663 3.8812 3.5358 4.3414 4.0276 4.0748 4.1249 4.0431 4.0204 3.8777 3.9304 3.8985 3.9312 3.8877 1.0516 1.0335 1.0409 1.0365 1.0190 1.0035 1.0075 1.0118 1.0035 1.0041 1.0449 1.0250 1.0158 1.0143 1.0104 1.0134 1.0138 1.0229 1.0202 1.0091 1.0098 1.0079 1.0107 1.0093 0.9947 0.9955 0.9937 1.2272 2.1163 2.0904 2.1509 2.0725 2.0854 3.1457 3.1478 3.9399 3.7927 3.8403 4.2108 3.9342 3.9663 3.8812 3.5358 4.3414 4.0276 4.0748 4.1249 4.0431 4.0204 3.8777 3.9304 3.8985 3.9312 3.8877 1.0516 1.0335 1.0409 1.0365 1.0190 1.0035 1.0075 1.0118 1.0035 1.0041 1.0449 1.0250 1.0158 1.0143 1.0104 1.0134 1.0138 1.0229 1.0202 1.0091 1.0098 1.0079 1.0107 1.0093 0.9947 0.9955 0.9937 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 1.0084 1.9627 1.1596 0.8821 1.2143 0.8884 1.8879 1.8965 0.8769 1.2274 0.9528 0.8677 1.2265 0.9692 0.9567 0.9368 1.0216 0.9511 0.9287 0.9830 0.8987 0.8983 1.0061 0.9926 0.9802 1.0005 0.9973 0.9911 0.9843 0.9504 1.0022 0.9766 1.2914 1.3806 1.4721 0.9827 1.4829 0.9699 1.4074 0.9725 1.3896 0.9727 0.9581 0.9601 1.0077 0.9882 0.9849 0.9874 0.9890 0.9934 0.9855 0.9806 0.9784 0.9827 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 -0.028446118 -1686.363697213462 41.47144 -41.51495 -0.04352 18.02626 -17.55112 0.47514 -7.84162 8.72279 0.88117 1.00205 2.54701