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:-6.3042,-2.0715,-1.1791;1.3584,-1.6306,-.4483;5.315,.7817,-.9148;-2.4074,.5251,4.0666;3.8717,2.5201,-.8404;-1.5899,1.5478,2.2637;-.0292,-.1198,.5071;3.1476,.3701,-.9239;1.7429,.6824,-.9414;1.2166,.9618,-2.3686;-.8522,-1.0844,1.1935;1.0134,-.4778,-.2737;-.2452,1.3959,-2.363;1.4359,-.1997,-3.3298;-.9957,-.7464,2.6839;-2.2079,-1.3029,.5519;4.0945,1.3329,-.8926;-2.9139,-.2863,-.0814;-2.7937,-2.5615,.6332;-1.6916,.5641,2.9531;-4.1723,-.5173,-.6153;-4.0506,-2.8091,.1071;6.4491,1.6581,-.8862;-4.7358,-1.7783,-.5153;6.7155,2.2346,-2.2654;7.6087,.8242,-.3775;-3.0811,1.722,4.4448;1.5956,1.5956,-.3572;1.8131,1.8108,-2.717;-.31,-2.0301,1.1413;-.2253,.8565,.6593;-.5348,1.7587,-3.3495;-.4273,2.2094,-1.6566;-.9155,.5716,-2.1137;2.4792,-.5134,-3.3581;1.1621,.0999,-4.3424;.8316,-1.0688,-3.0694;3.4142,-.6005,-.9738;-1.5221,-1.5553,3.191;.0014,-.6904,3.1335;-2.49,.7042,-.1712;-2.2549,-3.3746,1.1063;-4.7102,.2813,-1.1072;-4.4886,-3.7954,.1713;6.2517,2.4747,-.1868;5.8816,2.8421,-2.6124;6.8993,1.4416,-2.9922;7.5995,2.8729,-2.237;7.398,.4087,.6077;7.8326,0,-1.056;8.503,1.4418,-.2957;-3.8033,2.0271,3.6878;-3.6005,1.491,5.3705;-2.3811,2.5405,4.6132; 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 2685.0467054804 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 6.928e-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 0.258 sec Total time needed 0.801 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:-6.3042,-2.0715,-1.1791;1.3584,-1.6306,-.4483;5.315,.7817,-.9148;-2.4074,.5251,4.0666;3.8717,2.5201,-.8404;-1.5899,1.5478,2.2637;-.0292,-.1198,.5071;3.1476,.3701,-.9239;1.7429,.6824,-.9414;1.2166,.9618,-2.3686;-.8522,-1.0844,1.1935;1.0134,-.4778,-.2737;-.2452,1.3959,-2.363;1.4359,-.1997,-3.3298;-.9957,-.7464,2.6839;-2.2079,-1.3029,.5519;4.0945,1.3329,-.8926;-2.9139,-.2863,-.0814;-2.7937,-2.5615,.6332;-1.6916,.5641,2.9531;-4.1723,-.5173,-.6153;-4.0506,-2.8091,.1071;6.4491,1.6581,-.8862;-4.7358,-1.7783,-.5153;6.7155,2.2346,-2.2654;7.6087,.8242,-.3775;-3.0811,1.722,4.4448;1.5956,1.5956,-.3572;1.8131,1.8108,-2.7169;-.31,-2.0301,1.1413;-.2253,.8565,.6593;-.5348,1.7587,-3.3495;-.4273,2.2094,-1.6566;-.9155,.5716,-2.1137;2.4792,-.5134,-3.3581;1.1621,.0999,-4.3424;.8316,-1.0688,-3.0694;3.4142,-.6005,-.9738;-1.5221,-1.5553,3.191;.0014,-.6904,3.1335;-2.49,.7042,-.1712;-2.2549,-3.3746,1.1063;-4.7102,.2813,-1.1072;-4.4886,-3.7954,.1713;6.2517,2.4747,-.1868;5.8816,2.8421,-2.6124;6.8993,1.4416,-2.9922;7.5995,2.8729,-2.237;7.398,.4087,.6077;7.8326,0,-1.056;8.503,1.4418,-.2957;-3.8033,2.0271,3.6878;-3.6005,1.491,5.3705;-2.3811,2.5405,4.6132; 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:-6.3042,-2.0715,-1.1791;1.3584,-1.6306,-.4483;5.315,.7817,-.9148;-2.4074,.5251,4.0666;3.8717,2.5201,-.8404;-1.5899,1.5478,2.2637;-.0292,-.1198,.5071;3.1476,.3701,-.9239;1.7429,.6824,-.9414;1.2166,.9618,-2.3686;-.8522,-1.0844,1.1935;1.0134,-.4778,-.2737;-.2452,1.3959,-2.363;1.4359,-.1997,-3.3298;-.9957,-.7464,2.6839;-2.2079,-1.3029,.5519;4.0945,1.3329,-.8926;-2.9139,-.2863,-.0814;-2.7937,-2.5615,.6332;-1.6916,.5641,2.9531;-4.1723,-.5173,-.6153;-4.0506,-2.8091,.1071;6.4491,1.6581,-.8862;-4.7358,-1.7783,-.5153;6.7155,2.2346,-2.2654;7.6087,.8242,-.3775;-3.0811,1.722,4.4448;1.5956,1.5956,-.3572;1.8131,1.8108,-2.717;-.31,-2.0301,1.1413;-.2253,.8565,.6593;-.5348,1.7587,-3.3495;-.4273,2.2094,-1.6566;-.9155,.5716,-2.1137;2.4792,-.5134,-3.3581;1.1621,.0999,-4.3424;.8316,-1.0688,-3.0694;3.4142,-.6005,-.9738;-1.5221,-1.5553,3.191;.0014,-.6904,3.1335;-2.49,.7042,-.1712;-2.2549,-3.3746,1.1063;-4.7102,.2813,-1.1072;-4.4886,-3.7954,.1713;6.2517,2.4747,-.1868;5.8816,2.8421,-2.6124;6.8993,1.4416,-2.9922;7.5995,2.8729,-2.237;7.398,.4087,.6077;7.8326,0,-1.056;8.503,1.4418,-.2957;-3.8033,2.0271,3.6878;-3.6005,1.491,5.3705;-2.3811,2.5405,4.6132; -1686.33555571 2685.04670548 -4371.38226119 -7645.48323745 3274.10097626 -3366.72806488 1680.39250917 2.00353670 106.000283827262 106.000283827262 212.000567654523 -138.347311750804 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 -2765.2610 -525.1975 -524.1529 -523.4889 -522.5371 -522.2046 -393.2838 -392.8617 -283.7507 -283.3804 -282.5723 -281.6024 -281.4782 -281.4099 -281.2016 -280.9243 -280.5880 -280.3784 -280.2370 -280.2169 -280.2147 -280.1641 -279.8482 -279.3492 -279.3385 -279.2192 -279.0794 -260.5331 -199.3683 -199.1326 -199.1248 -34.1217 -33.2748 -31.8265 -31.5284 -30.6151 -28.8857 -28.4948 -27.7880 -26.4050 -25.4592 -25.1250 -24.6038 -24.0845 -23.9547 -23.0206 -22.6166 -21.9468 -21.7595 -21.2130 -20.3556 -20.0164 -19.5210 -19.1801 -19.0300 -18.7461 -18.2398 -17.9205 -17.5323 -17.2588 -16.8204 -16.6229 -16.3464 -16.1859 -15.9919 -15.8449 -15.7276 -15.5282 -15.3040 -15.1131 -14.8581 -14.7600 -14.6797 -14.6329 -14.6008 -14.4147 -13.9817 -13.9248 -13.7438 -13.5190 -13.4459 -13.4186 -13.3851 -13.1965 -13.1488 -12.9229 -12.8608 -12.6516 -12.4721 -12.4216 -12.3241 -11.9016 -11.8749 -11.7071 -11.6635 -11.5715 -11.5493 -11.2073 -10.7904 -10.5500 -10.1754 -9.9587 -9.8306 -9.7460 -9.2675 -9.0793 1.2128 1.2611 1.8988 2.5164 2.7703 3.1421 3.2085 3.2903 3.5600 3.8352 3.9459 4.0615 4.1012 4.3168 4.4063 4.5057 4.5739 4.5998 4.6604 4.8097 4.8979 4.9647 5.1123 5.1687 5.3286 5.3646 5.4354 5.5118 5.6562 5.7536 5.8984 5.9827 6.0734 6.1261 6.3937 6.4833 6.5208 6.5525 6.6002 6.6177 6.6762 6.8821 7.0447 7.2147 7.4002 7.4706 7.5667 7.6787 7.8384 7.9817 8.0506 8.1675 8.1872 8.2772 8.3707 8.4003 8.4772 8.6045 8.6166 8.7502 8.8487 8.9976 9.0941 9.2249 9.2722 9.4239 9.5846 9.8089 9.8980 9.9519 10.0210 10.1605 10.4024 10.5371 10.6209 10.6353 10.7746 10.8848 11.0225 11.1217 11.1516 11.2380 11.3334 11.4733 11.6586 11.7592 11.7948 11.9855 12.0168 12.1470 12.2448 12.2770 12.3109 12.5101 12.6304 12.6668 12.7587 12.8864 12.9515 13.0420 13.1434 13.1873 13.3160 13.3703 13.5081 13.5959 13.6348 13.7611 13.8000 13.8545 13.9299 13.9937 14.0753 14.1350 14.1929 14.2980 14.3880 14.4435 14.5183 14.5774 14.6203 14.6583 14.7489 14.7825 14.9192 14.9755 15.0246 15.1314 15.1885 15.2731 15.3376 15.3638 15.4858 15.5970 15.7252 15.8447 15.8665 16.0422 16.2193 16.3744 16.4869 16.5937 16.8843 16.9176 17.0146 17.0811 17.2243 17.3593 17.4236 17.4552 17.5643 17.7033 17.8666 18.0086 18.0883 18.2162 18.3371 18.4778 18.6247 18.7687 18.8334 18.9873 19.1377 19.2822 19.4166 19.4764 19.7093 19.7980 19.8656 20.0764 20.1754 20.2818 20.4296 20.5921 20.7352 20.9633 21.0178 21.1687 21.1859 21.4271 21.6082 21.7439 21.9735 22.0256 22.0675 22.2056 22.3906 22.6466 22.7234 22.8781 22.9864 23.1435 23.3502 23.3797 23.5137 23.7852 23.8567 23.9948 24.0892 24.2907 24.3614 24.5267 24.7050 24.8081 24.9368 25.0176 25.2349 25.3589 25.4711 25.7643 25.8255 25.9346 25.9829 26.0599 26.1231 26.4554 26.5090 26.6027 26.7783 26.9069 27.2030 27.3433 27.4278 27.6837 27.8411 27.9181 28.1158 28.1543 28.2391 28.3246 28.4246 28.4946 28.5968 28.7311 28.8009 28.8540 28.9676 29.0829 29.1527 29.3299 29.3961 29.5959 29.7538 29.9001 29.9841 30.0550 30.2755 30.4041 30.4574 30.5744 30.6966 30.8338 30.8829 31.1104 31.1881 31.2847 31.4450 31.5628 31.7113 31.7645 32.0505 32.0834 32.2160 32.4221 32.4947 32.6831 32.7357 32.9565 33.0198 33.0883 33.1257 33.2811 33.2906 33.5408 33.8387 34.0004 34.1461 34.2247 34.4127 34.4436 34.7020 34.8066 34.9377 35.1301 35.2970 35.3940 35.5567 35.6870 35.9414 36.0724 36.1816 36.2631 36.6154 36.8710 36.9541 37.1034 37.2032 37.2764 37.3751 37.6096 37.7089 37.7587 37.9329 37.9812 38.2343 38.3373 38.3614 38.5495 38.6382 38.7724 38.9164 38.9548 39.0927 39.2727 39.3627 39.4602 39.6349 39.7742 39.9503 40.0677 40.2312 40.2855 40.4195 40.5206 40.7311 40.8689 41.0073 41.0858 41.2669 41.3724 41.4244 41.5381 41.6792 41.7721 41.9687 42.0037 42.1867 42.3094 42.3662 42.4452 42.5670 42.6198 42.7600 42.8527 43.0312 43.0957 43.2020 43.3697 43.5305 43.7079 43.8568 43.9192 44.0702 44.1482 44.3179 44.3909 44.5594 44.6347 44.7679 44.9543 45.0630 45.1299 45.2288 45.3675 45.4863 45.6536 45.7162 45.8815 45.9953 46.0874 46.1832 46.4505 46.4901 46.7257 46.8749 47.1251 47.2854 47.4002 47.4155 47.6202 47.7467 47.9812 48.1011 48.3299 48.6406 48.7723 48.8948 48.9707 49.1910 49.3669 49.3892 49.4354 49.6666 49.8105 50.3916 50.4090 50.6017 50.7032 51.1636 51.2401 51.4312 51.5374 51.7905 51.9699 52.1929 52.3237 52.4743 52.7891 52.8448 52.8958 53.2345 53.3298 53.4886 53.6869 54.0725 54.4226 54.8787 55.0156 55.5311 55.6187 55.7576 56.1130 56.2971 56.4743 56.5812 57.0392 57.0922 57.3591 57.4418 57.6525 57.8916 57.9925 58.0581 58.2259 58.4855 58.6404 58.7051 59.0183 59.0478 59.3006 59.4041 59.5505 59.6816 59.9272 59.9582 60.1182 60.3117 60.4549 60.6835 61.0045 61.2326 61.4763 61.6647 61.9057 62.0378 62.3119 62.5642 62.9195 63.0330 63.2688 63.4603 63.4895 63.8338 64.1972 64.3266 64.6320 64.7321 64.8212 64.9342 65.1970 65.2273 65.5408 65.5939 65.9288 66.1189 66.1853 66.4683 66.7820 66.8045 67.2468 67.6700 67.7007 67.9129 68.2424 68.3969 68.4695 68.8691 69.1988 69.3900 69.4142 69.6444 69.9625 70.2326 70.5775 70.7033 70.8175 71.0440 71.0988 71.3502 71.6671 71.7040 71.8396 72.1766 72.2595 72.3582 72.5590 72.7260 72.9835 73.1740 73.5144 73.9009 74.2397 74.4920 74.6190 74.9693 75.1514 75.4513 75.5849 75.8397 75.9247 76.0781 76.1249 76.4093 76.4900 76.7858 76.9516 77.1689 77.3565 77.6616 77.8851 78.0198 78.1798 78.2715 78.3292 78.5997 78.7891 78.9555 79.1048 79.1504 79.3110 79.3632 79.5284 79.5824 79.7252 79.8361 79.8828 80.0101 80.1254 80.2389 80.3450 80.4116 80.4817 80.6655 80.8098 80.9287 81.1208 81.1940 81.3625 81.5098 81.6157 81.8343 81.8770 81.9550 82.0367 82.2770 82.4423 82.5517 82.6276 82.7588 82.9045 82.9691 83.0470 83.3941 83.4772 83.6099 83.8547 83.9702 84.0372 84.2387 84.3239 84.4292 84.5182 84.6899 84.7184 84.9801 85.0244 85.1307 85.3216 85.4261 85.4424 85.5349 85.6912 85.7329 85.9279 86.0578 86.2853 86.3198 86.4274 86.5249 86.7133 86.9422 87.0019 87.1591 87.2602 87.3889 87.5201 88.0278 88.1463 88.2218 88.2775 88.5000 88.5463 88.7067 88.8052 88.8645 88.9800 89.1791 89.2414 89.2917 89.4802 89.6334 89.7719 89.8162 89.9931 90.1457 90.2814 90.3819 90.6534 90.7562 90.9660 91.0483 91.2259 91.2761 91.4016 91.4298 91.5313 91.6715 91.8125 91.8646 92.0328 92.1394 92.4121 92.5514 92.6352 92.6908 92.8486 92.9349 93.0540 93.1396 93.3038 93.4439 93.5888 93.6710 93.7620 93.9949 94.1055 94.2632 94.3331 94.4150 94.5504 94.7868 94.8467 95.1691 95.2581 95.3878 95.5352 95.6252 95.8052 96.0199 96.1118 96.2868 96.5615 96.6363 96.7255 96.8746 96.9369 97.0770 97.1154 97.2706 97.4292 97.4990 97.5584 97.7017 97.8006 97.8601 98.0335 98.1356 98.3789 98.5049 98.5259 98.7531 98.8669 98.9558 99.1782 99.2998 99.5674 99.6060 99.7636 99.7968 99.9637 99.9935 100.1667 100.2708 100.3313 100.6699 100.8116 100.8998 101.0395 101.2290 101.3558 101.5630 101.8685 101.9048 102.1765 102.3203 102.6614 102.7679 102.8797 102.9691 103.1793 103.3432 103.4795 103.8044 103.9773 104.1747 104.2336 104.3600 104.4738 104.6252 104.7400 105.0123 105.0861 105.2271 105.4383 105.5073 105.5919 105.7257 105.9185 105.9732 106.2941 106.3962 106.4688 106.6941 106.8886 107.0117 107.1888 107.1924 107.3033 107.5120 107.6376 107.7483 107.8683 107.9629 108.3436 108.4243 108.5536 108.7113 108.7613 109.0020 109.1619 109.3442 109.5170 109.6514 109.8557 109.9417 110.0232 110.2659 110.4671 110.5118 110.6522 110.7490 110.9690 111.0053 111.0884 111.2237 111.3095 111.4680 111.7932 111.9264 112.2119 112.2281 112.4642 112.5171 112.7651 112.9236 113.2056 113.2722 113.4373 113.5388 113.6618 113.7740 114.0397 114.0484 114.2497 114.3554 114.4801 114.7150 114.7909 114.9737 115.0680 115.3414 115.5088 115.6065 115.6738 115.7750 115.9987 116.1628 116.2468 116.3098 116.5453 116.6121 116.8262 116.8593 117.0599 117.0878 117.1472 117.2995 117.5212 117.6314 117.8412 117.9446 118.0275 118.1945 118.3914 118.5584 118.7258 118.7992 119.0235 119.1499 119.3898 119.5461 119.5749 119.8410 120.0303 120.2225 120.3165 120.4509 120.6934 120.9198 120.9650 121.4180 121.5909 121.6799 121.7432 122.0976 122.2498 122.4033 122.4709 122.6960 122.9077 123.0512 123.4391 123.5749 123.7365 123.9600 124.1140 124.1812 124.5989 124.8689 124.9114 125.1865 125.5115 125.7787 125.8325 126.0295 126.3263 126.7855 126.9053 127.1007 127.1173 127.2605 127.5627 127.8083 127.9950 128.0364 128.1982 128.4206 128.5623 128.8368 128.9756 129.1974 129.2156 129.3784 129.6538 129.9477 130.2255 130.4595 130.5962 131.2286 131.4997 131.6609 131.8981 131.9878 132.1211 132.2101 132.3791 132.5842 132.7074 132.7793 132.8243 133.0984 133.3479 133.5946 133.6926 134.1171 134.3709 134.5866 134.9389 135.0259 135.4327 135.6639 135.7410 135.9316 136.2570 136.4610 136.6018 136.6192 137.3172 137.5347 137.6272 137.8351 138.1770 138.4151 138.4863 138.6106 139.0275 139.1518 139.4500 139.5599 140.2071 140.3116 140.8627 140.8777 141.0126 141.3767 141.5202 141.7372 141.9567 142.2569 142.4851 142.5097 142.8216 143.2271 143.4348 143.5778 143.6796 143.9648 144.0679 144.1521 144.3289 144.7437 144.9281 145.2049 145.2474 145.3287 145.7056 145.7485 145.8395 145.8715 146.3082 147.0221 147.1658 147.2262 147.4118 147.6451 147.8126 147.9118 148.0069 148.1076 148.3989 148.5034 148.6120 148.8240 148.9867 149.1639 149.3316 149.4854 149.6062 149.8464 149.9526 150.3042 150.4412 150.8208 151.2258 151.4143 151.7193 151.9554 152.1488 152.3579 152.5006 152.9293 153.0021 153.1018 153.3334 153.4594 153.6375 153.7195 153.9605 154.0486 154.2317 154.3018 154.5816 154.6984 155.1527 155.2729 155.4202 155.7760 155.8865 156.2597 156.4817 156.5743 156.9624 157.2095 157.3846 157.5042 157.6532 157.7663 157.8960 158.1876 158.5798 158.7350 158.7887 159.4371 160.0890 160.3166 160.4569 160.7838 160.8752 161.3752 161.6961 161.8635 162.6011 162.9036 163.1550 164.3620 165.4779 166.4248 168.1121 168.6084 168.6936 169.0796 170.2348 170.9729 171.4084 172.4067 172.6665 173.0634 173.5856 173.8543 175.3319 177.3882 177.6636 178.1767 178.3209 178.5217 179.0114 179.5449 179.7874 181.8896 182.2473 182.7142 183.3775 185.1101 185.4163 185.7828 186.6691 187.4381 188.4385 188.9330 190.0675 190.5881 190.9864 191.9802 193.9161 195.0124 195.1648 196.9137 197.0286 198.6398 199.8986 200.2144 203.2890 205.4035 206.7942 208.0619 221.6772 223.0314 223.5420 227.4470 229.7135 294.9950 297.5661 312.7099 615.8329 626.1153 631.7852 633.8410 634.3185 635.2339 636.3802 637.0712 637.5051 638.2239 640.8485 643.9832 645.0505 645.7735 646.7707 646.8437 648.5597 649.9666 655.5659 713.1439 904.1006 905.1623 1198.7814 1199.1499 1202.6791 1206.3046 1212.6414 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 -0.077552 -0.428340 -0.320766 -0.260802 -0.441766 -0.403773 -0.222094 -0.269431 0.085839 0.082971 0.121742 0.260397 -0.343314 -0.287381 -0.120276 0.129703 0.459403 -0.259720 -0.204215 0.378487 -0.115938 -0.118468 0.146777 0.080047 -0.260035 -0.232774 -0.125621 0.099621 0.060608 0.101978 0.165962 0.099753 0.097947 0.087999 0.082402 0.087192 0.089397 0.161547 0.096057 0.107381 0.132717 0.113937 0.121465 0.119880 0.061256 0.104526 0.079699 0.080056 0.090911 0.081581 0.076635 0.112485 0.122264 0.111642 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 17.0776 8.4283 8.3208 8.2608 8.4418 8.4038 7.2221 7.2694 5.9142 5.9170 5.8783 5.7396 6.3433 6.2874 6.1203 5.8703 5.5406 6.2597 6.2042 5.6215 6.1159 6.1185 5.8532 5.9200 6.2600 6.2328 6.1256 0.9004 0.9394 0.8980 0.8340 0.9002 0.9021 0.9120 0.9176 0.9128 0.9106 0.8385 0.9039 0.8926 0.8673 0.8861 0.8785 0.8801 0.9387 0.8955 0.9203 0.9199 0.9091 0.9184 0.9234 0.8875 0.8777 0.8884 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 -0.0776 -0.4283 -0.3208 -0.2608 -0.4418 -0.4038 -0.2221 -0.2694 0.0858 0.0830 0.1217 0.2604 -0.3433 -0.2874 -0.1203 0.1297 0.4594 -0.2597 -0.2042 0.3785 -0.1159 -0.1185 0.1468 0.0800 -0.2600 -0.2328 -0.1256 0.0996 0.0606 0.1020 0.1660 0.0998 0.0979 0.0880 0.0824 0.0872 0.0894 0.1615 0.0961 0.1074 0.1327 0.1139 0.1215 0.1199 0.0613 0.1045 0.0797 0.0801 0.0909 0.0816 0.0766 0.1125 0.1223 0.1116 1.2282 2.0796 2.0893 2.1555 2.0684 2.0747 3.2003 3.1903 3.8998 3.7625 3.8189 4.2246 3.9779 3.9543 3.8977 3.5500 4.3576 4.0336 4.0746 4.1054 4.0461 4.0100 3.8762 3.9417 3.8990 3.9324 3.8871 1.0434 1.0231 1.0530 1.0397 1.0113 1.0024 0.9968 1.0185 1.0021 1.0110 1.0496 1.0265 1.0137 1.0121 1.0102 1.0132 1.0134 1.0224 1.0203 1.0090 1.0097 1.0109 1.0092 1.0080 0.9953 0.9933 0.9952 1.2282 2.0796 2.0893 2.1555 2.0684 2.0747 3.2003 3.1903 3.8998 3.7625 3.8189 4.2246 3.9779 3.9543 3.8977 3.5500 4.3576 4.0336 4.0746 4.1054 4.0461 4.0100 3.8762 3.9417 3.8990 3.9324 3.8871 1.0434 1.0231 1.0530 1.0397 1.0113 1.0024 0.9968 1.0185 1.0021 1.0110 1.0496 1.0265 1.0137 1.0121 1.0102 1.0132 1.0134 1.0224 1.0203 1.0090 1.0097 1.0109 1.0092 1.0080 0.9953 0.9933 0.9952 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0109 1.9044 1.1572 0.8828 1.2189 0.8883 1.8766 1.8815 0.8476 1.2777 0.9580 0.9038 1.2527 0.9583 0.9319 0.9177 1.0151 0.9193 0.9322 1.0002 0.9071 0.8865 1.0122 0.9975 1.0041 0.9793 0.9931 0.9941 0.9762 0.9572 0.9984 0.9720 1.2969 1.3843 1.4817 0.9803 1.4761 0.9670 1.4039 0.9701 1.3927 0.9723 0.9569 0.9599 1.0088 0.9886 0.9851 0.9871 0.9931 0.9860 0.9893 0.9791 0.9821 0.9801 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 -0.028312954 -1686.363868664995 41.09605 -41.40659 -0.31054 15.83115 -15.77907 0.05208 -5.59099 6.88966 1.29867 1.33630 3.39660