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:-6.4061,-1.6052,-1.0322;1.2295,-1.4208,-1.067;4.9665,1.1515,-1.7383;-1.3691,-.8903,4.5416;3.7129,2.6815,-.6452;-1.0785,.6248,2.934;-.0158,-.3657,.5001;2.8397,.7067,-1.3402;1.5192,.951,-.8261;.6507,1.7624,-1.8169;-.72,-1.5302,.9902;.9065,-.4033,-.4816;-.6509,2.255,-1.1934;.391,1.0195,-3.1207;-.5244,-1.6817,2.4981;-2.169,-1.5392,.535;3.8327,1.61,-1.1928;-2.4332,-1.434,-.8299;-3.2475,-1.6855,1.3968;-1.022,-.5147,3.3169;-3.7257,-1.4542,-1.3194;-4.5523,-1.7057,.9224;6.1434,1.9603,-1.6087;-4.7859,-1.5847,-.4341;7.0645,1.5575,-2.7432;6.7802,1.752,-.2462;-1.7991,.1341,5.4334;1.614,1.5466,.0873;1.2557,2.6459,-2.041;-.2321,-2.3915,.5279;-.2417,.5126,.9408;-.4788,2.7643,-.2424;-1.3657,1.4488,-1.0217;-1.1345,2.9734,-1.8556;-.0932,1.6801,-3.8406;-.266,.1597,-2.9778;1.3132,.6604,-3.577;3.0218,-.1886,-1.7659;-.9731,-2.6111,2.8513;.5488,-1.7759,2.6914;-1.6113,-1.3495,-1.5302;-3.104,-1.7969,2.4634;-3.9089,-1.3746,-2.3819;-5.3792,-1.8157,1.6102;5.8677,3.0119,-1.7199;7.353,.5081,-2.6695;7.9742,2.157,-2.7124;6.5937,1.7151,-3.7134;6.1132,2.0621,.5567;7.048,.705,-.0954;7.6916,2.3454,-.1654;-1.0147,.8716,5.6029;-2.6849,.6455,5.0569;-2.0361,-.3655,6.3682; 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 2695.9300317766 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 6.442e-06 Time for diagonalization 0.540 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.263 sec Total time needed 0.810 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:-6.4061,-1.6052,-1.0322;1.2295,-1.4208,-1.067;4.9665,1.1515,-1.7383;-1.3691,-.8903,4.5416;3.7129,2.6815,-.6452;-1.0785,.6248,2.934;-.0158,-.3657,.5001;2.8397,.7067,-1.3402;1.5192,.951,-.8261;.6507,1.7624,-1.8169;-.72,-1.5302,.9902;.9065,-.4033,-.4816;-.6509,2.255,-1.1934;.391,1.0195,-3.1207;-.5244,-1.6817,2.4981;-2.169,-1.5392,.535;3.8327,1.61,-1.1928;-2.4332,-1.434,-.8299;-3.2475,-1.6855,1.3968;-1.022,-.5147,3.3169;-3.7257,-1.4542,-1.3194;-4.5523,-1.7057,.9224;6.1434,1.9603,-1.6087;-4.7859,-1.5847,-.4341;7.0645,1.5575,-2.7432;6.7802,1.752,-.2462;-1.7991,.1341,5.4334;1.614,1.5466,.0873;1.2557,2.6459,-2.041;-.2321,-2.3915,.5279;-.2417,.5126,.9409;-.4788,2.7643,-.2424;-1.3657,1.4488,-1.0217;-1.1345,2.9734,-1.8556;-.0932,1.6801,-3.8406;-.266,.1597,-2.9778;1.3132,.6604,-3.577;3.0218,-.1886,-1.7659;-.9731,-2.6111,2.8513;.5488,-1.7759,2.6914;-1.6113,-1.3495,-1.5302;-3.104,-1.7969,2.4634;-3.9089,-1.3746,-2.3819;-5.3792,-1.8157,1.6102;5.8677,3.0119,-1.7199;7.353,.5081,-2.6695;7.9742,2.157,-2.7124;6.5937,1.7151,-3.7134;6.1132,2.0621,.5567;7.048,.705,-.0954;7.6916,2.3454,-.1654;-1.0147,.8716,5.6029;-2.6849,.6455,5.0569;-2.0361,-.3655,6.3682; 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:-6.4061,-1.6052,-1.0322;1.2295,-1.4208,-1.067;4.9665,1.1515,-1.7383;-1.3691,-.8903,4.5416;3.7129,2.6815,-.6452;-1.0785,.6248,2.934;-.0158,-.3657,.5001;2.8397,.7067,-1.3402;1.5192,.951,-.8261;.6507,1.7624,-1.8169;-.72,-1.5302,.9902;.9065,-.4033,-.4816;-.6509,2.255,-1.1934;.391,1.0195,-3.1207;-.5244,-1.6817,2.4981;-2.169,-1.5392,.535;3.8327,1.61,-1.1928;-2.4332,-1.434,-.8299;-3.2475,-1.6855,1.3968;-1.022,-.5147,3.3169;-3.7257,-1.4542,-1.3194;-4.5523,-1.7057,.9224;6.1434,1.9603,-1.6087;-4.7859,-1.5847,-.4341;7.0645,1.5575,-2.7432;6.7802,1.752,-.2462;-1.7991,.1341,5.4334;1.614,1.5466,.0873;1.2557,2.6459,-2.041;-.2321,-2.3915,.5279;-.2417,.5126,.9408;-.4788,2.7643,-.2424;-1.3657,1.4488,-1.0217;-1.1345,2.9734,-1.8556;-.0932,1.6801,-3.8406;-.266,.1597,-2.9778;1.3132,.6604,-3.577;3.0218,-.1886,-1.7659;-.9731,-2.6111,2.8513;.5488,-1.7759,2.6914;-1.6113,-1.3495,-1.5302;-3.104,-1.7969,2.4634;-3.9089,-1.3746,-2.3819;-5.3792,-1.8157,1.6102;5.8677,3.0119,-1.7199;7.353,.5081,-2.6695;7.9742,2.157,-2.7124;6.5937,1.7151,-3.7134;6.1132,2.0621,.5567;7.048,.705,-.0954;7.6916,2.3454,-.1654;-1.0147,.8716,5.6029;-2.6849,.6455,5.0569;-2.0361,-.3655,6.3682; -1686.33483899 2695.93003178 -4382.26487077 -7667.11242856 3284.84755779 -3366.73030989 1680.39547090 2.00353451 105.999974872624 105.999974872624 211.999949745249 -138.350471293608 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 -2765.2671 -525.2488 -524.1405 -523.5298 -522.5746 -522.1876 -393.2619 -392.8281 -283.7981 -283.3603 -282.6028 -281.6042 -281.5312 -281.4515 -281.1802 -280.9234 -280.6186 -280.4340 -280.2739 -280.2399 -280.2195 -280.1467 -279.8736 -279.3381 -279.3074 -279.2316 -279.2103 -260.5392 -199.3745 -199.1389 -199.1307 -34.1676 -33.2630 -31.8497 -31.5832 -30.6017 -28.9067 -28.4743 -27.7967 -26.4117 -25.4967 -25.1411 -24.6043 -24.1093 -23.9709 -23.0647 -22.6266 -21.9470 -21.8108 -21.3077 -20.1591 -20.0753 -19.5191 -19.3084 -19.0703 -18.7775 -18.2397 -17.9231 -17.6145 -17.2608 -16.8320 -16.6706 -16.3315 -16.1416 -15.9993 -15.8841 -15.7115 -15.5655 -15.3754 -15.1774 -15.0129 -14.7941 -14.6712 -14.6201 -14.4762 -14.3521 -14.0177 -13.9426 -13.8039 -13.5541 -13.5445 -13.3936 -13.3410 -13.1974 -13.1712 -12.9397 -12.8843 -12.7649 -12.5063 -12.4047 -12.3110 -11.9340 -11.9015 -11.7549 -11.6910 -11.6015 -11.5388 -11.2094 -10.8301 -10.5382 -10.1731 -10.0406 -9.8491 -9.7366 -9.3502 -8.9816 1.1406 1.2558 1.9595 2.5591 2.7327 3.1535 3.1926 3.4196 3.5362 3.8476 3.9503 3.9890 4.0846 4.2082 4.4287 4.4978 4.5621 4.6346 4.7052 4.8775 4.9471 5.1224 5.1810 5.2007 5.2681 5.3328 5.4418 5.4739 5.6192 5.8406 5.9260 5.9767 6.0548 6.2238 6.2505 6.3752 6.5034 6.5373 6.6262 6.6433 6.7417 6.9517 7.1364 7.1713 7.3062 7.4896 7.5241 7.7362 7.8280 7.9145 8.0929 8.1577 8.2197 8.2955 8.3339 8.5011 8.5477 8.6738 8.7952 8.8809 8.9196 8.9883 9.1710 9.3013 9.4302 9.6256 9.6697 9.7717 9.8998 10.0184 10.1360 10.2334 10.4199 10.5175 10.6041 10.6933 10.8138 11.0037 11.0453 11.0852 11.2180 11.2400 11.3420 11.6177 11.6467 11.7214 11.8619 11.9065 12.0163 12.1221 12.2062 12.3218 12.3656 12.4723 12.5226 12.5426 12.6963 12.8493 12.9181 13.0836 13.2196 13.2987 13.3849 13.4249 13.6218 13.6861 13.7110 13.8267 13.8795 13.9930 14.0369 14.0577 14.0743 14.1795 14.2735 14.3735 14.4323 14.5047 14.6088 14.6609 14.7122 14.7521 14.7810 14.9349 14.9631 15.0582 15.1758 15.2705 15.3084 15.3549 15.3777 15.4667 15.6050 15.7940 15.8866 16.0616 16.0657 16.1550 16.2869 16.4265 16.4874 16.6148 16.6846 16.8006 16.9403 17.0956 17.2756 17.5378 17.5503 17.6887 17.7246 17.8659 17.9747 18.0686 18.2035 18.4215 18.4697 18.5482 18.6712 18.6935 18.9232 19.0112 19.0341 19.2975 19.3610 19.4277 19.8759 20.0019 20.0319 20.1251 20.1314 20.2713 20.5211 20.6685 20.8771 20.9002 21.0875 21.2242 21.2768 21.5634 21.5897 21.8121 21.8695 22.0326 22.1746 22.3023 22.3912 22.6334 22.6989 22.9677 23.0064 23.0947 23.3312 23.4212 23.4829 23.7055 23.9177 24.0597 24.1274 24.2254 24.4496 24.6258 24.6423 24.8778 24.9855 25.0882 25.3582 25.4350 25.5109 25.7451 25.7994 25.9787 26.0703 26.1571 26.3187 26.3727 26.5424 26.6054 26.9035 27.0590 27.1396 27.3275 27.4378 27.5217 27.6248 27.6971 27.8561 27.9904 28.0907 28.2121 28.3642 28.4560 28.6428 28.6779 28.7521 28.8540 28.9833 29.1149 29.2488 29.3647 29.4405 29.6676 29.8082 29.9322 30.0085 30.0476 30.2693 30.2822 30.4531 30.6775 30.8512 31.0048 31.0660 31.1273 31.2570 31.3485 31.4780 31.6440 31.7786 31.8495 32.0278 32.1755 32.3610 32.4490 32.5576 32.7504 32.9606 33.0792 33.1136 33.1946 33.2681 33.6186 33.6580 33.7418 34.0630 34.1723 34.2128 34.2942 34.4058 34.5928 34.7314 34.9943 35.0373 35.2549 35.3310 35.4088 35.7267 35.7325 35.8425 36.0384 36.2248 36.3594 36.4616 36.6383 37.0323 37.0761 37.1936 37.3363 37.4096 37.5896 37.7073 37.7345 37.9177 38.0540 38.1392 38.3113 38.3632 38.4712 38.5939 38.8553 38.9524 39.1116 39.3125 39.3852 39.4631 39.5606 39.6956 39.7721 39.9859 40.1249 40.1456 40.3172 40.5099 40.6790 40.8154 40.9003 40.9677 41.1695 41.2990 41.4014 41.4907 41.5867 41.7287 41.8707 41.9406 42.0126 42.1354 42.2927 42.3688 42.5173 42.6010 42.7492 42.8432 42.8740 43.0240 43.1597 43.2704 43.5108 43.6256 43.6810 43.8788 44.0163 44.1087 44.3032 44.3467 44.4677 44.5367 44.6376 44.8035 44.9908 45.0964 45.2338 45.2781 45.3526 45.5103 45.7158 45.9019 45.9933 46.0817 46.2331 46.4706 46.5192 46.6221 46.7880 46.8275 46.9498 47.2171 47.5053 47.5306 47.6636 47.7955 47.8781 48.0222 48.2106 48.3189 48.5815 48.8202 49.0803 49.1226 49.2017 49.3611 49.5541 49.9489 50.0823 50.1847 50.4096 50.7065 50.9217 51.0265 51.3755 51.4724 51.8174 51.9233 51.9603 52.2319 52.3318 52.5194 52.7929 52.9683 53.0490 53.3889 53.4675 53.6216 53.9550 54.3218 54.5273 54.8253 55.1268 55.4452 55.8827 55.8915 56.1012 56.2302 56.4225 56.7741 56.9097 57.0762 57.2015 57.3927 57.5489 57.7177 57.7601 57.9482 58.1930 58.4251 58.6475 58.7656 58.9749 59.1641 59.3550 59.5256 59.6055 59.8421 59.9434 60.0935 60.2563 60.4482 60.6587 60.7971 60.9728 61.1924 61.3303 61.5136 61.7184 62.0842 62.3309 62.5995 62.9201 63.0090 63.1445 63.1868 63.4741 63.6651 64.0439 64.1641 64.5045 64.6839 64.8437 64.9290 65.0821 65.4141 65.6149 65.7127 65.8926 66.0853 66.1412 66.6667 66.9758 67.1914 67.3279 67.5842 67.7257 67.8209 67.8561 68.5287 68.6240 68.9370 69.2248 69.4057 69.7669 69.9946 70.2142 70.3368 70.5302 70.7171 70.9790 71.0521 71.1466 71.7563 71.8618 71.8944 72.1036 72.1912 72.2546 72.5853 72.6691 72.8040 73.0810 73.6202 73.6624 73.9305 74.3212 74.7424 74.8771 75.0924 75.1428 75.4992 75.8001 75.9641 76.1386 76.2256 76.5086 76.7546 76.8048 76.9369 77.1222 77.2546 77.3002 77.6073 77.7685 78.0218 78.1475 78.1880 78.2881 78.4684 78.6673 78.8869 79.0209 79.2701 79.3090 79.4831 79.5886 79.6683 79.7208 79.8580 79.9642 79.9736 80.2090 80.3146 80.3796 80.4236 80.6251 80.7026 80.7614 80.8543 81.1007 81.3116 81.4950 81.5525 81.7596 81.7951 81.8732 81.9938 82.1893 82.3298 82.5836 82.6371 82.8181 83.0447 83.0891 83.2297 83.3514 83.4665 83.5991 83.7267 83.9167 84.0690 84.0969 84.2342 84.3073 84.5550 84.6092 84.6774 84.8728 84.9814 85.0661 85.1443 85.4757 85.5725 85.6281 85.6707 85.7287 85.7895 86.0590 86.1612 86.2205 86.4086 86.6470 86.7163 86.9138 86.9616 87.0201 87.2353 87.3939 87.5487 87.6073 87.8375 88.0150 88.2368 88.3415 88.4626 88.5913 88.6302 88.8048 88.9200 89.0388 89.2768 89.3087 89.4221 89.5678 89.5866 89.7367 89.8832 89.9370 90.2584 90.4111 90.6119 90.7054 90.8088 90.8927 91.0037 91.1297 91.2195 91.3511 91.5509 91.6367 91.7551 91.8457 91.9520 92.1654 92.2417 92.3965 92.4587 92.5501 92.7818 92.8432 92.8972 93.0433 93.1148 93.4212 93.5901 93.8010 93.8599 93.9486 94.0228 94.1563 94.2787 94.4339 94.5589 94.6388 94.7401 94.8669 95.0641 95.2389 95.3092 95.5383 95.7570 95.9241 96.0310 96.2369 96.4747 96.4940 96.6789 96.7777 96.8394 97.0597 97.1543 97.2851 97.4558 97.5138 97.6926 97.7743 97.7936 98.0543 98.0909 98.2080 98.3620 98.4636 98.5061 98.6439 98.7751 98.8321 98.9733 99.1282 99.1973 99.3611 99.4764 99.6401 99.7188 99.8530 99.9278 100.0813 100.2303 100.3733 100.5294 100.7288 100.8463 101.0367 101.1743 101.3274 101.4554 101.7137 101.8868 102.2126 102.2554 102.3477 102.6371 102.7426 102.8315 102.9333 103.0073 103.5142 103.5850 103.6939 103.9506 104.0745 104.1343 104.5082 104.6163 104.7720 105.0595 105.2014 105.2804 105.4316 105.5942 105.6360 105.8221 105.9657 106.0565 106.1844 106.4683 106.7145 106.8196 106.8868 106.9727 107.0999 107.1922 107.3758 107.4583 107.6921 107.7432 108.0062 108.2768 108.3699 108.5071 108.6904 108.7566 108.9852 109.0431 109.3031 109.5067 109.7980 109.8741 110.0647 110.1703 110.1912 110.4195 110.6247 110.7345 110.8373 110.9172 111.1442 111.2039 111.4397 111.5009 111.5600 111.7381 111.8152 112.0817 112.4098 112.6025 112.8108 112.8496 112.9166 112.9714 113.2124 113.4500 113.5003 113.5361 113.6672 113.8086 114.1098 114.1878 114.3198 114.4643 114.5174 114.7726 114.8763 115.0523 115.1395 115.3191 115.3766 115.5218 115.7416 115.8426 116.0379 116.1759 116.3248 116.3859 116.6855 116.7296 116.9002 116.9720 117.0447 117.2471 117.4288 117.5447 117.7199 117.9076 118.0620 118.1096 118.2887 118.5054 118.5269 118.5500 118.8426 118.9546 119.2103 119.3317 119.4046 119.6544 119.8786 120.0680 120.2465 120.2981 120.5840 120.6467 120.8515 120.8848 121.2060 121.3270 121.5780 121.6765 121.7886 121.9544 122.0682 122.3080 122.5508 122.8597 122.9191 123.1481 123.2466 123.5050 123.5480 123.7993 124.3274 124.6149 124.8124 124.9876 125.3230 125.4038 125.5396 125.8229 125.8864 125.9676 126.3551 126.5914 126.7069 127.3510 127.5204 127.6863 127.7243 127.9472 128.1392 128.3454 128.4381 128.4953 128.6013 128.8646 129.2890 129.4002 129.6066 129.7626 130.2327 130.4829 130.6420 130.7528 131.0123 131.1559 131.4746 131.6054 131.7736 131.8498 131.9324 132.2900 132.3089 132.5081 132.6570 132.7784 133.1131 133.2710 133.4022 133.6076 133.6587 134.1635 134.3667 134.6758 134.7595 135.1954 135.4286 135.7478 136.1785 136.2513 136.4058 136.4379 136.9186 137.1289 137.2577 137.5737 137.9140 137.9382 138.1541 138.4573 138.5670 138.9251 139.0639 139.3303 139.5225 139.8695 140.1316 140.6290 140.7480 141.0231 141.4370 141.5136 141.6531 141.7966 142.2471 142.4274 142.4778 142.5173 143.0208 143.2428 143.3701 143.5341 143.7798 143.9338 144.2433 144.4380 144.5811 144.8677 145.0960 145.2291 145.3778 145.4080 145.7202 145.7536 145.9922 146.1488 146.3242 146.6044 147.0646 147.2125 147.4941 147.7839 147.8314 147.9697 148.1116 148.1778 148.3821 148.5100 148.6369 148.9220 149.0968 149.2473 149.4747 149.6259 149.8794 150.0051 150.1936 150.4486 150.7064 150.9768 151.0556 151.2424 151.4981 151.6566 151.9709 152.1574 152.5086 152.7545 152.9298 153.1909 153.2231 153.3119 153.6399 153.7239 153.9785 154.0802 154.2651 154.4210 154.6024 154.7686 155.2205 155.4169 155.5527 155.8941 156.1396 156.3198 156.8542 156.9091 157.1856 157.2693 157.5632 157.5993 157.8836 157.9615 158.0634 158.4147 158.7072 158.8285 158.8927 159.1692 159.7764 160.0049 160.3596 160.7164 161.2259 161.6236 161.6771 162.4089 162.8778 163.0517 163.2102 164.3181 164.9972 166.0059 167.9484 168.5091 168.5349 169.1425 170.2913 170.8572 171.4122 172.6279 172.9027 173.1523 173.8526 174.0778 175.1986 176.6617 177.6171 178.0498 178.3065 178.5224 179.2027 179.4497 179.7693 181.7652 182.3728 182.9052 183.4664 185.1632 185.6784 186.1525 186.6286 187.4564 187.7526 188.9342 190.0832 190.4167 191.0954 192.0819 193.8793 195.0516 195.3107 196.8715 197.1224 198.7128 200.1156 200.2334 203.2578 205.3196 206.7372 208.1141 221.6725 223.0734 223.5363 227.5445 229.7344 294.9854 297.6552 312.7210 616.3451 626.5491 631.7158 633.8737 634.3920 635.4680 636.3601 637.6929 638.2702 639.8268 640.5244 643.9617 644.9297 645.7829 646.6919 647.2354 648.5505 650.4072 655.5844 713.4130 904.0893 905.2184 1198.8593 1199.5363 1203.4109 1207.1103 1212.5756 -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 -0.076676 -0.428064 -0.321647 -0.266423 -0.443805 -0.388067 -0.208580 -0.256885 0.066303 0.085443 0.198329 0.229039 -0.327998 -0.286405 -0.173518 -0.016043 0.457855 -0.237335 -0.129228 0.350614 -0.135131 -0.146077 0.145707 0.106895 -0.230664 -0.258184 -0.130932 0.104910 0.057276 0.113334 0.182345 0.100737 0.085091 0.095373 0.091663 0.075781 0.091875 0.162373 0.109802 0.112211 0.168271 0.109606 0.121340 0.116006 0.061633 0.082067 0.075791 0.090346 0.101569 0.080593 0.080424 0.115157 0.113175 0.122726 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 17.0767 8.4281 8.3216 8.2664 8.4438 8.3881 7.2086 7.2569 5.9337 5.9146 5.8017 5.7710 6.3280 6.2864 6.1735 6.0160 5.5421 6.2373 6.1292 5.6494 6.1351 6.1461 5.8543 5.8931 6.2307 6.2582 6.1309 0.8951 0.9427 0.8867 0.8177 0.8993 0.9149 0.9046 0.9083 0.9242 0.9081 0.8376 0.8902 0.8878 0.8317 0.8904 0.8787 0.8840 0.9384 0.9179 0.9242 0.9097 0.8984 0.9194 0.9196 0.8848 0.8868 0.8773 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 -0.0767 -0.4281 -0.3216 -0.2664 -0.4438 -0.3881 -0.2086 -0.2569 0.0663 0.0854 0.1983 0.2290 -0.3280 -0.2864 -0.1735 -0.0160 0.4579 -0.2373 -0.1292 0.3506 -0.1351 -0.1461 0.1457 0.1069 -0.2307 -0.2582 -0.1309 0.1049 0.0573 0.1133 0.1823 0.1007 0.0851 0.0954 0.0917 0.0758 0.0919 0.1624 0.1098 0.1122 0.1683 0.1096 0.1213 0.1160 0.0616 0.0821 0.0758 0.0903 0.1016 0.0806 0.0804 0.1152 0.1132 0.1227 1.2288 2.0645 2.0917 2.1332 2.0640 2.0855 3.1797 3.1914 3.9029 3.7382 3.7531 4.2512 3.9658 3.9546 3.9232 3.8830 4.3561 4.0056 3.9545 4.1027 4.0416 4.0895 3.8753 3.9220 3.9304 3.9019 3.8877 1.0419 1.0254 1.0365 1.0267 1.0035 1.0006 1.0101 1.0019 1.0062 1.0179 1.0527 1.0182 1.0137 0.9940 1.0239 1.0154 1.0171 1.0245 1.0090 1.0080 1.0111 1.0192 1.0090 1.0098 0.9957 0.9945 0.9927 1.2288 2.0645 2.0917 2.1332 2.0640 2.0855 3.1797 3.1914 3.9029 3.7382 3.7531 4.2512 3.9658 3.9546 3.9232 3.8830 4.3561 4.0056 3.9545 4.1027 4.0416 4.0895 3.8753 3.9220 3.9304 3.9019 3.8877 1.0419 1.0254 1.0365 1.0267 1.0035 1.0006 1.0101 1.0019 1.0062 1.0179 1.0527 1.0182 1.0137 0.9940 1.0239 1.0154 1.0171 1.0245 1.0090 1.0080 1.0111 1.0192 1.0090 1.0098 0.9957 0.9945 0.9927 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.9990 1.8802 1.1595 0.8825 1.1862 0.8874 1.8705 1.9021 0.8345 1.2829 0.9505 0.9242 1.2540 0.9524 0.9173 0.9315 1.0158 0.9180 0.9265 1.0000 0.8759 0.9740 1.0043 1.0071 0.9787 0.9943 0.9946 0.9772 0.9931 0.9532 1.0334 0.9730 1.4107 1.3675 1.4856 0.9376 1.4763 0.9388 1.3938 0.9692 1.4239 0.9670 0.9589 0.9586 1.0075 0.9859 0.9892 0.9933 0.9880 0.9854 0.9879 0.9809 0.9780 0.9822 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 -0.028807595 -1686.363646587745 39.59884 -39.67181 -0.07297 16.58251 -16.93582 -0.35331 -2.12258 3.47318 1.35060 1.39795 3.55332