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:-6.2343,-1.006,-.8247;.763,-.8749,-1.3812;4.6827,1.0423,-2.5019;-2.0771,-1.7916,4.0415;4.3889,2.1535,-.5553;-.6898,-.1274,3.5096;.3377,-.5138,.7979;2.7475,.8709,-1.4575;1.8159,1.0331,-.3741;1.0183,2.3533,-.4948;-.5084,-1.6769,.9198;.9229,-.2062,-.3792;.2735,2.7164,.7849;.087,2.3622,-1.6998;-.4883,-2.2203,2.3567;-1.9297,-1.459,.445;3.979,1.4231,-1.4278;-2.6186,-.2762,.6829;-2.594,-2.4918,-.2048;-1.0816,-1.2579,3.3544;-3.9412,-.1302,.2946;-3.9156,-2.3644,-.5976;6.0235,1.53,-2.6365;-4.5848,-1.1794,-.3405;6.0263,2.9318,-3.2193;6.7456,.5351,-3.524;-2.7226,-.9612,5.0011;2.3757,1.0695,.567;1.7865,3.1174,-.6439;-.0713,-2.4557,.2904;.4757,.07,1.608;-.1126,3.7338,.7192;.9229,2.6753,1.6618;-.582,2.0656,.9669;-.7428,1.6628,-1.5796;.6122,2.1013,-2.6182;-.3416,3.3552,-1.8396;2.5014,.216,-2.184;-1.0219,-3.1692,2.3796;.5478,-2.4163,2.6476;-2.1266,.5539,1.1723;-2.069,-3.4145,-.4221;-4.4656,.7969,.481;-4.4177,-3.1747,-1.1075;6.4973,1.5491,-1.6514;7.052,3.2786,-3.3507;5.5216,3.6373,-2.5614;5.5392,2.9507,-4.1954;6.2938,.4858,-4.5156;7.7871,.8326,-3.6456;6.7322,-.4657,-3.0924;-3.4866,-1.5795,5.4631;-2.0256,-.6106,5.762;-3.1905,-.0987,4.5268; 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 2710.3842483290 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 6.651e-06 Time for diagonalization 0.532 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.253 sec Total time needed 0.791 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:-6.2343,-1.006,-.8247;.763,-.8749,-1.3812;4.6827,1.0423,-2.5019;-2.0771,-1.7916,4.0415;4.3889,2.1535,-.5553;-.6898,-.1274,3.5096;.3377,-.5138,.7979;2.7475,.8709,-1.4575;1.8159,1.0331,-.3741;1.0183,2.3533,-.4948;-.5084,-1.6769,.9198;.9229,-.2062,-.3792;.2735,2.7164,.7849;.087,2.3622,-1.6998;-.4883,-2.2203,2.3567;-1.9297,-1.459,.445;3.979,1.4231,-1.4278;-2.6186,-.2762,.6829;-2.594,-2.4918,-.2048;-1.0816,-1.2579,3.3544;-3.9412,-.1302,.2946;-3.9156,-2.3644,-.5976;6.0235,1.53,-2.6365;-4.5848,-1.1794,-.3405;6.0263,2.9318,-3.2193;6.7456,.5351,-3.524;-2.7226,-.9612,5.0011;2.3757,1.0695,.567;1.7865,3.1174,-.6439;-.0713,-2.4557,.2904;.4757,.07,1.608;-.1126,3.7338,.7192;.9229,2.6753,1.6618;-.582,2.0656,.9669;-.7428,1.6628,-1.5796;.6122,2.1013,-2.6182;-.3416,3.3552,-1.8396;2.5014,.216,-2.184;-1.0219,-3.1692,2.3796;.5478,-2.4163,2.6476;-2.1266,.5539,1.1723;-2.069,-3.4145,-.4221;-4.4656,.7969,.481;-4.4177,-3.1747,-1.1075;6.4973,1.5491,-1.6514;7.052,3.2786,-3.3507;5.5216,3.6373,-2.5614;5.5392,2.9507,-4.1954;6.2938,.4858,-4.5156;7.7871,.8326,-3.6456;6.7322,-.4657,-3.0924;-3.4866,-1.5795,5.4631;-2.0256,-.6106,5.762;-3.1905,-.0987,4.5268; 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:-6.2343,-1.006,-.8247;.763,-.8749,-1.3812;4.6827,1.0423,-2.5019;-2.0771,-1.7916,4.0415;4.3889,2.1535,-.5553;-.6898,-.1274,3.5096;.3377,-.5138,.7979;2.7475,.8709,-1.4575;1.8159,1.0331,-.3741;1.0183,2.3533,-.4948;-.5084,-1.6769,.9198;.9229,-.2062,-.3792;.2735,2.7164,.7849;.087,2.3622,-1.6998;-.4883,-2.2203,2.3567;-1.9297,-1.459,.445;3.979,1.4231,-1.4278;-2.6186,-.2762,.6829;-2.594,-2.4918,-.2048;-1.0816,-1.2579,3.3544;-3.9412,-.1302,.2946;-3.9156,-2.3644,-.5976;6.0235,1.53,-2.6365;-4.5848,-1.1794,-.3405;6.0263,2.9318,-3.2193;6.7456,.5351,-3.524;-2.7226,-.9612,5.0011;2.3757,1.0695,.567;1.7865,3.1174,-.6439;-.0713,-2.4557,.2904;.4757,.07,1.608;-.1126,3.7338,.7192;.9229,2.6753,1.6618;-.582,2.0656,.9669;-.7428,1.6628,-1.5796;.6122,2.1013,-2.6182;-.3416,3.3552,-1.8396;2.5014,.216,-2.184;-1.0219,-3.1692,2.3796;.5478,-2.4163,2.6476;-2.1266,.5539,1.1723;-2.069,-3.4145,-.4221;-4.4656,.7969,.481;-4.4177,-3.1747,-1.1075;6.4973,1.5491,-1.6514;7.052,3.2786,-3.3507;5.5216,3.6373,-2.5614;5.5392,2.9507,-4.1954;6.2938,.4858,-4.5156;7.7871,.8326,-3.6456;6.7322,-.4657,-3.0924;-3.4866,-1.5795,5.4631;-2.0256,-.6106,5.762;-3.1905,-.0987,4.5268; -1686.33507561 2710.38424833 -4396.71932394 -7696.14657545 3299.42725150 -3366.73983867 1680.40476306 2.00352910 106.000104300380 106.000104300380 212.000208600760 -138.349397389066 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 -2765.2591 -525.2438 -524.1000 -523.4945 -522.5873 -522.1615 -393.3134 -392.7660 -283.7614 -283.3237 -282.5911 -281.5979 -281.5100 -281.4927 -281.1571 -280.9311 -280.6267 -280.3593 -280.2331 -280.2248 -280.1915 -280.1796 -279.8518 -279.3592 -279.3127 -279.1910 -279.1370 -260.5313 -199.3664 -199.1308 -199.1231 -34.1540 -33.2245 -31.9044 -31.5453 -30.5666 -28.9134 -28.4364 -27.7902 -26.4166 -25.4853 -25.1321 -24.5766 -24.0887 -23.9302 -23.0559 -22.6119 -21.9131 -21.8051 -21.2250 -20.3385 -20.0059 -19.5526 -19.1618 -19.0824 -18.7686 -18.1678 -17.8820 -17.5604 -17.3399 -16.8308 -16.5976 -16.2932 -16.2527 -16.0076 -15.8337 -15.7087 -15.5478 -15.3164 -15.1387 -14.8476 -14.8073 -14.6640 -14.6057 -14.5375 -14.3993 -13.9935 -13.9417 -13.7936 -13.6044 -13.5317 -13.3768 -13.3708 -13.1596 -13.1319 -12.8905 -12.8453 -12.6426 -12.4818 -12.4250 -12.2893 -11.9172 -11.8510 -11.7545 -11.6398 -11.5662 -11.5160 -11.2032 -10.8209 -10.4981 -10.1631 -10.0190 -9.8255 -9.7321 -9.3111 -9.0453 1.1789 1.2398 1.8896 2.4865 2.7365 3.2014 3.2590 3.3364 3.5406 3.8536 3.9611 4.0609 4.1550 4.2802 4.4184 4.5415 4.5705 4.6574 4.7073 4.8232 4.9043 5.0183 5.0895 5.2260 5.2360 5.2931 5.4215 5.4723 5.5640 5.6843 5.8425 5.9258 6.0551 6.1535 6.3368 6.4319 6.4775 6.5097 6.5901 6.6757 6.7064 6.9721 7.1165 7.1409 7.3144 7.4725 7.6297 7.7215 7.8578 7.9094 8.1109 8.2211 8.3343 8.4298 8.4936 8.5506 8.6308 8.7502 8.7835 8.8541 8.8810 8.9313 9.1130 9.2227 9.3947 9.4618 9.7442 9.8450 9.9993 10.0159 10.1050 10.2121 10.3982 10.4880 10.5804 10.6644 10.7452 10.9224 10.9432 11.1223 11.2519 11.2786 11.4222 11.4457 11.6076 11.7452 11.8231 11.8949 12.0638 12.1442 12.1833 12.2346 12.4563 12.5071 12.5448 12.6434 12.7403 12.8619 12.8806 13.0252 13.0977 13.3791 13.3967 13.5314 13.5549 13.6456 13.7292 13.7750 13.8196 13.9148 13.9918 14.0168 14.1567 14.1981 14.2719 14.3340 14.4001 14.4943 14.5537 14.6320 14.7200 14.7834 14.8314 14.9017 15.0135 15.0464 15.1504 15.1898 15.2575 15.3663 15.4268 15.5332 15.6897 15.7349 15.8205 15.9056 16.0545 16.0784 16.1830 16.3567 16.4959 16.5460 16.6209 16.7196 16.9932 17.1923 17.2738 17.3365 17.4656 17.5308 17.7253 17.7885 17.9951 18.0377 18.0998 18.2822 18.3682 18.6120 18.7094 18.7342 18.8844 19.0051 19.1108 19.1990 19.3910 19.4747 19.5924 19.6965 19.8830 20.1164 20.3043 20.4631 20.6746 20.8033 20.8291 20.8702 21.0747 21.2081 21.2855 21.6171 21.7375 21.8693 21.9476 22.0061 22.3050 22.3573 22.4312 22.6193 22.7152 22.9164 23.1242 23.1559 23.4014 23.5317 23.6847 23.7808 23.9214 24.0462 24.2528 24.3515 24.5047 24.6482 24.7913 24.9300 25.0338 25.1728 25.2269 25.3062 25.5812 25.6954 25.7667 26.0443 26.1967 26.2763 26.4233 26.4992 26.6313 26.8092 26.8466 27.0844 27.1960 27.4135 27.4482 27.5172 27.6226 27.8358 27.9222 28.1282 28.3255 28.4035 28.4278 28.4992 28.5525 28.7532 28.8337 28.9670 29.0209 29.0852 29.1471 29.3509 29.4929 29.6659 29.8807 29.9311 30.0204 30.1172 30.3011 30.5364 30.6177 30.7764 30.8186 31.0342 31.1090 31.2812 31.3095 31.3889 31.5363 31.6076 31.8408 31.9064 32.1294 32.2707 32.3446 32.4946 32.6223 32.6397 32.8286 32.8490 33.0007 33.2190 33.2766 33.3407 33.5112 33.8507 33.8699 34.0176 34.0897 34.2624 34.4635 34.4816 34.6561 34.8688 34.9541 35.1546 35.1681 35.3584 35.4543 35.7360 35.8531 36.2829 36.3845 36.6074 36.6503 36.7962 36.9619 37.0750 37.1504 37.2452 37.4523 37.4713 37.7061 37.7807 37.8714 37.9415 38.1098 38.2144 38.3807 38.5846 38.7118 38.7665 38.9641 39.0382 39.0717 39.2761 39.4883 39.5252 39.6017 39.6968 39.8419 40.0475 40.1291 40.2915 40.4327 40.6530 40.7632 40.8780 41.0487 41.0931 41.1398 41.2945 41.4177 41.4726 41.6640 41.8346 41.9163 41.9765 42.1150 42.1638 42.4028 42.4832 42.5788 42.6500 42.7636 42.8679 42.9408 43.1161 43.1974 43.2213 43.5170 43.8828 43.9103 43.9962 44.0971 44.1500 44.2721 44.4492 44.5156 44.5896 44.8284 44.8617 45.0257 45.1495 45.3307 45.3885 45.4813 45.6015 45.9028 45.9140 46.1891 46.3415 46.4137 46.5099 46.7353 46.7886 46.9386 47.0746 47.2384 47.4102 47.4721 47.7078 47.7455 47.9973 48.3846 48.4505 48.6622 48.7762 48.9053 49.1080 49.2725 49.3130 49.7550 49.9694 50.1005 50.4214 50.4884 50.6491 50.7631 51.0030 51.1302 51.3061 51.6236 51.8073 51.9258 52.1127 52.2007 52.6439 52.7162 52.8685 53.0816 53.2837 53.4130 53.7458 53.8345 54.0315 54.3701 54.6638 54.7184 55.0536 55.3878 55.7712 55.9127 56.0642 56.2039 56.3990 56.7065 56.9611 57.1314 57.2113 57.4511 57.6094 57.6785 57.7107 58.0674 58.1928 58.6198 58.8638 58.9784 59.0792 59.1393 59.3637 59.5386 59.6353 59.8538 59.9617 60.0137 60.1547 60.4345 60.7960 60.8836 61.0208 61.3368 61.3885 61.6718 61.9439 62.2064 62.6375 62.8073 62.8790 62.9657 63.2851 63.5231 63.7534 63.9655 64.1885 64.3983 64.6132 64.8927 64.9711 65.1811 65.3243 65.5617 65.7598 65.8987 66.0343 66.2352 66.4960 66.8638 66.9240 67.0960 67.1862 67.3929 67.5041 67.7499 68.0605 68.3393 68.6972 68.7511 69.0467 69.3253 69.3839 69.6244 69.9470 70.4034 70.6023 70.6505 70.9716 70.9852 71.2244 71.6836 71.7683 71.8397 72.1488 72.2041 72.3098 72.5229 72.6963 72.9384 73.0194 73.2004 73.3707 73.7706 73.9344 74.2193 74.8009 75.0358 75.1558 75.2357 75.5046 75.8200 75.9185 76.0977 76.3347 76.5692 76.6394 76.8450 77.2023 77.2585 77.4321 77.5492 77.6102 77.8741 77.9347 78.0762 78.3270 78.5480 78.6498 78.9986 79.0139 79.2094 79.2891 79.4332 79.4788 79.5658 79.6740 79.8074 79.9522 80.0220 80.1061 80.2509 80.4264 80.5458 80.6410 80.8868 81.0361 81.1525 81.3228 81.3374 81.4972 81.5600 81.8231 81.8828 81.9471 82.1227 82.2757 82.4249 82.5085 82.6586 82.7223 82.7811 82.8972 83.0074 83.1074 83.2771 83.4788 83.6072 83.9451 83.9836 84.0088 84.2971 84.3507 84.4710 84.5652 84.7508 84.8010 84.9971 85.1011 85.2833 85.4078 85.5517 85.6043 85.6590 85.9406 86.0488 86.1121 86.1582 86.3397 86.5264 86.6189 86.7688 86.9377 87.0295 87.1492 87.3132 87.3545 87.5450 87.7805 87.9031 88.1042 88.2609 88.4803 88.5257 88.6119 88.7898 88.8576 88.8865 88.9761 89.1283 89.2012 89.3586 89.5572 89.6282 89.7359 89.8914 90.1927 90.2276 90.4246 90.6055 90.7458 90.9504 91.0045 91.0779 91.1379 91.3635 91.4608 91.5818 91.7453 91.8587 91.9461 92.0233 92.2130 92.3032 92.3764 92.3892 92.5666 92.7116 92.8887 92.9614 93.0982 93.3273 93.4602 93.5747 93.8916 93.9498 94.0811 94.1214 94.1662 94.3070 94.4567 94.4681 94.5936 94.8527 94.9347 95.1975 95.2743 95.4083 95.6053 95.6581 95.7766 95.9038 96.1226 96.3890 96.4263 96.5512 96.6425 96.8150 96.9072 97.0085 97.2024 97.3332 97.4285 97.4533 97.5756 97.8839 98.0207 98.0924 98.1695 98.3127 98.4791 98.5361 98.5656 98.7248 98.8359 99.0545 99.0947 99.2445 99.3862 99.6279 99.6896 99.9151 100.0540 100.1251 100.1720 100.2374 100.4638 100.6898 100.7517 101.0388 101.2707 101.3250 101.4592 101.6398 101.8395 101.9668 102.2167 102.2500 102.6361 102.7557 102.8684 102.9936 103.0937 103.2840 103.4153 103.6443 103.8107 104.1247 104.2518 104.4134 104.4948 104.6204 104.9167 105.0507 105.2488 105.3344 105.4062 105.5260 105.8706 105.9057 106.0984 106.1121 106.3033 106.3566 106.5444 106.7129 106.9894 107.1615 107.2082 107.2409 107.4524 107.4948 107.5741 107.6993 107.7955 108.0899 108.1117 108.3655 108.6346 108.7345 108.8389 109.0931 109.1869 109.3654 109.4455 109.7604 109.8698 109.9180 110.1021 110.1625 110.3109 110.5562 110.7140 110.7573 111.1382 111.2031 111.3279 111.4402 111.5438 111.6820 111.7922 112.0135 112.2201 112.2695 112.7034 112.7960 112.9644 112.9887 113.3082 113.4426 113.5190 113.5306 113.5722 113.9351 114.0735 114.2162 114.3359 114.4575 114.6976 114.8666 114.9484 115.1365 115.2058 115.2556 115.4228 115.4703 115.7722 115.8245 115.9690 116.1128 116.3152 116.3495 116.3856 116.4810 116.6212 116.7677 117.0413 117.0962 117.1714 117.2556 117.3710 117.7044 117.8730 117.9740 118.2628 118.3456 118.5597 118.7970 118.8242 118.9578 119.1104 119.3521 119.4315 119.5508 119.6389 119.9350 120.0844 120.2005 120.4251 120.6607 120.8902 120.9160 120.9943 121.3182 121.5248 121.5865 121.7658 121.8314 122.2378 122.4664 122.6323 122.8033 122.8668 123.1095 123.4725 123.6760 123.9380 124.0550 124.1311 124.4380 124.8447 125.0352 125.1507 125.5101 125.6941 125.8021 126.0240 126.1059 126.4775 126.5397 126.7832 126.9062 127.3249 127.5622 127.5988 127.8275 127.9488 128.0872 128.3857 128.5117 128.5686 128.8726 129.0159 129.2148 129.5809 129.6357 129.8537 130.2689 130.6689 130.7719 131.0863 131.3081 131.4474 131.5881 131.7490 132.0480 132.1495 132.1747 132.3181 132.6911 132.7304 132.8816 132.9119 133.1515 133.6348 133.8255 134.0860 134.2344 134.3621 134.5979 134.6753 135.0090 135.3841 135.4945 135.8955 135.9729 136.1533 136.4640 136.6511 136.7176 137.3750 137.4273 137.4857 137.7177 138.0644 138.2363 138.5624 138.7124 139.0520 139.2948 139.3968 139.4662 139.6237 140.1361 140.2556 140.8165 140.9658 141.3856 141.5158 141.7406 142.0961 142.1992 142.4156 142.5033 142.6751 143.1659 143.4800 143.5440 143.5814 143.7853 144.0335 144.3556 144.7034 144.7722 144.9086 145.0369 145.3196 145.4415 145.6066 145.8305 145.9080 146.0872 146.5123 146.6214 147.0934 147.3430 147.5631 147.7202 147.8174 147.9225 148.1610 148.3218 148.5088 148.6055 148.7436 149.0193 149.1465 149.3621 149.5239 149.6526 149.8966 149.9581 150.1108 150.3024 150.4227 151.1332 151.3052 151.4031 151.6979 151.8186 152.2097 152.4420 152.4999 152.7772 153.0714 153.1623 153.5410 153.6033 153.6923 153.7420 154.0118 154.1767 154.2934 154.3571 154.6151 154.6837 155.2806 155.4701 155.5485 155.9207 156.0911 156.4168 156.7172 157.0024 157.2665 157.3904 157.5616 157.6116 157.6591 157.8643 158.1687 158.3455 158.7488 158.8966 159.3972 159.6824 159.8713 160.2118 160.5694 161.0393 161.1226 161.2940 162.0395 162.2930 162.8062 163.1192 163.2001 164.6663 165.1828 166.7368 167.6897 168.6008 168.7768 169.2008 170.2649 171.3203 171.4119 172.5018 172.6221 173.0817 173.2973 173.9236 175.2164 177.3838 177.6092 178.1777 178.3111 178.6952 178.8983 179.5048 179.8161 180.9700 182.2465 182.4540 183.1659 184.7954 185.6285 186.5712 186.6556 187.4741 188.6818 189.0293 189.9661 190.3028 190.8551 192.0433 194.0651 194.9426 195.2027 196.6487 197.1371 198.4643 200.1902 200.4646 203.3989 205.9871 206.7928 208.1403 221.6901 223.0422 223.5402 227.4909 229.7381 295.0032 297.5884 312.7281 616.3739 626.3991 631.8761 633.9241 634.3088 635.3154 636.0304 637.3124 637.6178 638.6897 641.0828 644.1529 645.2389 645.7978 646.8775 647.2507 648.6075 650.2940 655.5976 713.2763 903.7244 905.0973 1198.8545 1199.2180 1202.5858 1207.9107 1212.7713 -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 -0.077744 -0.421059 -0.321018 -0.248636 -0.444672 -0.391782 -0.229138 -0.255353 0.067262 0.068792 0.089590 0.250240 -0.319903 -0.279665 -0.110017 0.161427 0.458450 -0.284259 -0.193596 0.349566 -0.131734 -0.117317 0.145729 0.083315 -0.259098 -0.231072 -0.123334 0.106948 0.057734 0.101497 0.173177 0.095764 0.103872 0.065843 0.083541 0.094505 0.088532 0.164000 0.095579 0.110358 0.156152 0.110362 0.121366 0.119206 0.060234 0.079656 0.103209 0.080258 0.081611 0.076012 0.090283 0.123105 0.112464 0.109759 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 17.0777 8.4211 8.3210 8.2486 8.4447 8.3918 7.2291 7.2554 5.9327 5.9312 5.9104 5.7498 6.3199 6.2797 6.1100 5.8386 5.5416 6.2843 6.1936 5.6504 6.1317 6.1173 5.8543 5.9167 6.2591 6.2311 6.1233 0.8931 0.9423 0.8985 0.8268 0.9042 0.8961 0.9342 0.9165 0.9055 0.9115 0.8360 0.9044 0.8896 0.8438 0.8896 0.8786 0.8808 0.9398 0.9203 0.8968 0.9197 0.9184 0.9240 0.9097 0.8769 0.8875 0.8902 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 -0.0777 -0.4211 -0.3210 -0.2486 -0.4447 -0.3918 -0.2291 -0.2554 0.0673 0.0688 0.0896 0.2502 -0.3199 -0.2797 -0.1100 0.1614 0.4584 -0.2843 -0.1936 0.3496 -0.1317 -0.1173 0.1457 0.0833 -0.2591 -0.2311 -0.1233 0.1069 0.0577 0.1015 0.1732 0.0958 0.1039 0.0658 0.0835 0.0945 0.0885 0.1640 0.0956 0.1104 0.1562 0.1104 0.1214 0.1192 0.0602 0.0797 0.1032 0.0803 0.0816 0.0760 0.0903 0.1231 0.1125 0.1098 1.2281 2.0779 2.0913 2.1472 2.0641 2.0897 3.1983 3.1917 3.9231 3.7431 3.9383 4.2291 3.9536 3.9436 3.8727 3.4684 4.3547 4.0328 4.0916 4.1560 4.0630 4.0116 3.8786 3.9399 3.9020 3.9315 3.8849 1.0360 1.0291 1.0274 1.0362 1.0099 1.0046 1.0071 1.0059 1.0185 1.0012 1.0557 1.0285 1.0129 0.9932 1.0109 1.0140 1.0134 1.0237 1.0097 1.0195 1.0091 1.0095 1.0081 1.0108 0.9935 0.9954 0.9954 1.2281 2.0779 2.0913 2.1472 2.0641 2.0897 3.1983 3.1917 3.9231 3.7431 3.9383 4.2291 3.9536 3.9436 3.8727 3.4684 4.3547 4.0328 4.0916 4.1560 4.0630 4.0116 3.8786 3.9399 3.9020 3.9315 3.8849 1.0360 1.0291 1.0274 1.0362 1.0099 1.0046 1.0071 1.0059 1.0185 1.0012 1.0557 1.0285 1.0129 0.9932 1.0109 1.0140 1.0134 1.0237 1.0097 1.0195 1.0091 1.0095 1.0081 1.0108 0.9935 0.9954 0.9954 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 1.0086 1.8937 1.1581 0.8834 1.2133 0.8869 1.8695 1.9096 0.9142 1.2768 0.9491 0.9403 1.2528 0.9474 0.9067 0.9298 1.0156 0.9192 0.9304 1.0049 0.9093 0.8820 1.0158 0.9978 1.0079 0.9778 0.9755 0.9927 0.9932 0.9446 0.9971 0.9885 1.2719 1.3927 1.4888 0.9763 1.4739 0.9632 1.4044 0.9705 1.3956 0.9719 0.9580 0.9597 1.0084 0.9876 0.9884 0.9852 0.9861 0.9894 0.9931 0.9825 0.9810 0.9777 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 -0.029352117 -1686.364427728753 36.89139 -37.25296 -0.36156 17.05124 -17.81262 -0.76138 -3.29520 4.43383 1.13863 1.41665 3.60085