Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 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 Cl F O O O O O N C C 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 1 2 3 3 3 3 3 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.8215,-.3406,-2.3574;-1.0115,1.003,-2.6393;-2.8279,-1.4163,-2.221;-1.403,.5315,1.6442;2.8998,-1.7917,-.0717;2.6429,-.0731,1.9042;1.9439,-1.6305,3.359;-1.7393,-.4525,-.4226;-6.2797,-.9111,.7003;-5.9442,.3296,1.5278;-5.4391,-.9882,-.5761;-4.4864,.3287,1.9919;-4.0274,-.6545,-.2617;-3.6089,-.087,.8688;-2.852,-.9102,-1.1374;-2.131,.0657,.8126;-.4205,-.4576,-.9018;.5642,-1.181,-.2425;-.079,.2819,-2.0191;1.883,-1.1498,-.672;1.7103,2.4731,.7546;1.2172,.2989,-2.4914;2.5438,2.2987,2.0198;2.1938,-.4064,-1.813;2.0027,3.7629,-.0051;2.2565,1.0111,2.7607;3.3966,3.8119,-.6184;2.7004,-2.3249,1.2065;2.3745,-1.3023,2.2889;-6.1018,-1.8068,1.3024;-7.3401,-.9164,.4447;-6.1286,1.2244,.9264;-6.6063,.3955,2.3922;-5.5023,-1.9784,-1.0326;-5.8147,-.2906,-1.3317;-4.1892,1.3127,2.3613;-4.3467,-.3569,2.8339;.2683,-1.7569,.6238;.6513,2.4378,1.0235;1.8784,1.6278,.0836;2.3376,3.1229,2.7101;3.6123,2.3505,1.7951;1.4689,.8819,-3.3663;1.262,3.8688,-.8019;1.8575,4.6244,.6544;2.8195,.9555,3.6952;1.194,.9205,2.9983;3.5299,4.7068,-1.2266;4.1806,3.82,.1393;3.5726,2.9457,-1.2598;3.6375,-2.817,1.4737;1.9253,-3.0987,1.2252; 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 1676 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 222 Dim 1232 ENuc 3125.9851213539 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 6.877e-06 Time for diagonalization 0.530 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 0.795 sec 17 9 8 8 8 8 8 7 6 6 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 1 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.8215,-.3406,-2.3574;-1.0115,1.003,-2.6393;-2.8279,-1.4163,-2.221;-1.403,.5315,1.6442;2.8998,-1.7917,-.0717;2.6429,-.0731,1.9042;1.9439,-1.6305,3.359;-1.7393,-.4525,-.4226;-6.2797,-.9111,.7003;-5.9442,.3296,1.5278;-5.4391,-.9882,-.5761;-4.4864,.3287,1.9919;-4.0274,-.6545,-.2617;-3.6089,-.087,.8688;-2.852,-.9102,-1.1374;-2.131,.0657,.8126;-.4205,-.4576,-.9018;.5642,-1.181,-.2425;-.079,.2819,-2.0191;1.883,-1.1498,-.672;1.7103,2.4731,.7546;1.2172,.2989,-2.4914;2.5438,2.2987,2.0198;2.1938,-.4064,-1.813;2.0027,3.7629,-.0051;2.2564,1.0111,2.7607;3.3966,3.8119,-.6184;2.7004,-2.3249,1.2064;2.3745,-1.3023,2.2889;-6.1018,-1.8068,1.3024;-7.3401,-.9164,.4447;-6.1286,1.2244,.9264;-6.6063,.3955,2.3922;-5.5023,-1.9784,-1.0326;-5.8147,-.2906,-1.3317;-4.1892,1.3127,2.3613;-4.3467,-.3569,2.8339;.2683,-1.7569,.6238;.6513,2.4378,1.0235;1.8784,1.6278,.0836;2.3376,3.1229,2.7101;3.6123,2.3505,1.7951;1.4689,.8819,-3.3663;1.262,3.8688,-.8019;1.8575,4.6244,.6544;2.8195,.9555,3.6952;1.194,.9205,2.9983;3.5299,4.7068,-1.2266;4.1806,3.82,.1393;3.5726,2.9457,-1.2598;3.6375,-2.817,1.4737;1.9253,-3.0987,1.2252; 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 4 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.8215,-.3406,-2.3574;-1.0115,1.003,-2.6393;-2.8279,-1.4163,-2.221;-1.403,.5315,1.6442;2.8998,-1.7917,-.0717;2.6429,-.0731,1.9042;1.9439,-1.6305,3.359;-1.7393,-.4525,-.4226;-6.2797,-.9111,.7003;-5.9442,.3296,1.5278;-5.4391,-.9882,-.5761;-4.4864,.3287,1.9919;-4.0274,-.6545,-.2617;-3.6089,-.087,.8688;-2.852,-.9102,-1.1374;-2.131,.0657,.8126;-.4205,-.4576,-.9018;.5642,-1.181,-.2425;-.079,.2819,-2.0191;1.883,-1.1498,-.672;1.7103,2.4731,.7546;1.2172,.2989,-2.4914;2.5438,2.2987,2.0198;2.1938,-.4064,-1.813;2.0027,3.7629,-.0051;2.2565,1.0111,2.7607;3.3966,3.8119,-.6184;2.7004,-2.3249,1.2065;2.3745,-1.3023,2.2889;-6.1018,-1.8068,1.3024;-7.3401,-.9164,.4447;-6.1286,1.2244,.9264;-6.6063,.3955,2.3922;-5.5023,-1.9784,-1.0326;-5.8147,-.2906,-1.3317;-4.1892,1.3127,2.3613;-4.3467,-.3569,2.8339;.2683,-1.7569,.6238;.6513,2.4378,1.0235;1.8784,1.6278,.0836;2.3376,3.1229,2.7101;3.6123,2.3505,1.7951;1.4689,.8819,-3.3663;1.262,3.8688,-.8019;1.8575,4.6244,.6544;2.8195,.9555,3.6952;1.194,.9205,2.9983;3.5299,4.7068,-1.2266;4.1806,3.82,.1393;3.5726,2.9457,-1.2598;3.6375,-2.817,1.4737;1.9253,-3.0987,1.2252; -1805.18603510 3125.98512135 -4931.17115645 -8689.95883273 3758.78767628 -3604.20657680 1799.02054170 2.00342714 111.000074748885 111.000074748885 222.000149497771 -147.732731557328 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 1226 1227 1228 1229 1230 1231 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 -2765.3643 -675.0815 -524.7697 -524.7625 -523.5618 -523.4857 -523.0653 -394.1259 -283.3742 -283.3638 -283.2857 -282.4222 -282.0644 -281.8430 -281.7839 -281.5238 -281.1461 -280.7517 -280.7269 -280.4689 -280.4634 -280.2919 -280.2807 -280.0691 -280.0634 -279.5609 -279.3295 -279.2296 -279.0862 -260.6301 -199.4729 -199.2304 -199.2148 -37.0343 -33.8467 -33.0498 -32.9409 -32.3635 -31.2010 -30.0064 -28.0153 -27.2863 -26.3985 -25.3184 -25.0616 -24.6418 -24.3303 -24.0442 -23.6684 -23.0146 -21.8208 -21.4467 -21.4395 -20.7250 -20.2955 -20.0629 -19.8932 -19.2267 -18.8109 -18.2875 -18.1945 -18.0072 -17.8398 -17.8145 -16.8916 -16.6725 -16.5424 -16.4216 -16.0860 -16.0351 -15.7612 -15.7201 -15.5586 -15.1698 -15.1301 -15.1250 -15.0404 -15.0377 -14.7660 -14.7549 -14.4729 -14.3888 -14.3777 -14.0563 -13.9590 -13.9213 -13.7196 -13.5987 -13.5154 -13.1086 -12.8431 -12.6769 -12.4293 -12.2319 -12.1697 -12.1090 -12.0548 -12.0332 -11.9217 -11.3572 -11.3098 -11.2526 -11.1929 -10.9155 -10.8345 -10.8014 -10.3702 -10.2247 -10.0654 -9.5108 -8.6167 -0.4929 0.8287 1.7254 2.3324 2.6231 2.8598 3.1827 3.2877 3.3399 3.5967 3.6977 3.7863 3.9450 3.9956 4.1326 4.3471 4.5037 4.6234 4.6631 4.7858 4.8107 4.9705 5.1362 5.2443 5.3594 5.4034 5.4588 5.5712 5.6452 5.8424 5.9081 5.9636 6.0119 6.1449 6.2148 6.3657 6.6576 6.7643 6.7971 6.9903 7.0696 7.0995 7.1735 7.3387 7.4342 7.5195 7.5713 7.6176 7.8326 7.8736 8.0962 8.1869 8.2117 8.2615 8.3189 8.3857 8.5785 8.7921 8.9014 9.0080 9.0525 9.1620 9.2706 9.3662 9.4907 9.5874 9.6554 9.8063 9.8313 10.0557 10.1361 10.2079 10.3294 10.3857 10.5382 10.6384 10.9021 10.9614 10.9922 11.1752 11.2929 11.3597 11.4932 11.6424 11.6691 11.7985 12.0510 12.1689 12.1906 12.2873 12.4152 12.5459 12.6243 12.6473 12.8017 12.8617 12.9577 13.0525 13.1192 13.1378 13.1579 13.2321 13.3211 13.3642 13.4960 13.5490 13.5950 13.6923 13.7395 13.8127 13.8186 13.9179 13.9841 14.0742 14.1310 14.1866 14.2651 14.3425 14.4311 14.4858 14.5745 14.6389 14.7074 14.7994 14.8844 15.0099 15.0268 15.1052 15.1341 15.3240 15.3992 15.5273 15.5770 15.7048 15.7338 15.9584 16.0769 16.2151 16.4093 16.4870 16.6275 16.7227 16.7961 16.9354 17.0305 17.0586 17.1520 17.3470 17.4174 17.5768 17.7232 17.8312 17.9908 18.0277 18.1972 18.3642 18.5253 18.6790 18.7298 18.9040 19.0628 19.1087 19.2560 19.4313 19.6618 19.8192 19.9510 20.1202 20.2088 20.3334 20.4540 20.7864 20.8410 20.9574 21.1034 21.2118 21.2742 21.5307 21.5713 21.5996 21.7215 21.7605 22.0222 22.2085 22.2614 22.3616 22.4856 22.5660 22.7713 22.8991 23.0047 23.1671 23.2998 23.3230 23.4617 23.5336 23.7122 23.7671 23.8439 24.0360 24.1185 24.1972 24.3416 24.4691 24.5505 24.7763 24.9537 25.1051 25.1104 25.2818 25.3625 25.6279 25.6767 25.9212 26.0367 26.1210 26.1771 26.3901 26.4625 26.5433 26.7879 26.8985 27.0649 27.3401 27.3933 27.6793 27.8666 27.8872 28.0403 28.1565 28.2733 28.2989 28.5231 28.6377 28.8666 28.9444 29.0915 29.1183 29.3065 29.4423 29.6124 29.6482 29.7660 29.9231 29.9876 30.0639 30.1711 30.3478 30.5255 30.5593 30.8699 30.8925 30.9985 31.1655 31.2872 31.4097 31.5124 31.6848 31.7929 31.9355 32.1151 32.3675 32.4106 32.5813 32.6026 32.7652 32.8484 32.9842 33.2161 33.2667 33.3727 33.4615 33.5620 33.6102 33.7221 33.8479 33.9430 34.0608 34.2502 34.3808 34.5293 34.5930 34.6728 34.7459 34.9750 35.0462 35.2747 35.2977 35.5304 35.5512 35.7013 36.0064 36.1287 36.2338 36.3631 36.5074 36.5645 36.6703 36.7535 36.8051 36.9325 37.2541 37.3845 37.4254 37.5354 37.5784 37.7252 38.0137 38.1884 38.3275 38.4639 38.5279 38.6487 38.7669 38.9512 39.0079 39.1643 39.3390 39.3627 39.7450 39.9071 39.9552 40.2123 40.2533 40.4825 40.6444 40.8984 40.9946 41.0544 41.2442 41.4940 41.7964 41.8473 41.8732 41.9731 42.1062 42.2313 42.3225 42.4334 42.5980 42.6476 42.7362 42.9432 42.9623 43.1207 43.1612 43.2448 43.3610 43.4319 43.4794 43.6266 43.7508 43.8890 44.2534 44.3366 44.5024 44.5938 44.8340 45.0237 45.1592 45.2657 45.5508 45.7337 45.7878 46.1288 46.2480 46.2929 46.4635 46.5153 46.6348 46.7297 46.7994 46.8707 47.0846 47.2858 47.3648 47.5188 47.5703 47.6302 47.8588 47.9472 48.0317 48.0957 48.5036 48.7068 48.8889 48.9982 49.2840 49.4763 49.5752 49.8792 50.0561 50.1937 50.5437 50.7049 50.7357 50.9092 51.0125 51.1701 51.5018 51.8188 51.8525 52.0237 52.2853 52.3781 52.6104 52.8322 53.0292 53.2553 53.4598 53.7137 53.8625 53.8802 54.1541 54.3341 54.6733 54.8752 54.9853 55.3894 55.4967 55.8385 56.0739 56.3383 56.4339 56.4853 56.6674 56.7516 57.2429 57.2897 57.6642 57.7799 58.0037 58.3011 58.4936 58.5294 58.7687 58.8573 58.9359 59.2275 59.5583 59.6970 59.9974 60.1150 60.2841 60.4070 60.4551 60.6801 60.9158 61.1029 61.2936 61.4851 61.7224 61.8456 62.1206 62.2600 62.5239 62.6563 62.6931 62.8877 62.9637 63.1193 63.3037 63.3815 63.9306 64.0888 64.2967 64.4122 64.5967 64.7357 64.8932 65.0617 65.2610 65.5554 65.6786 65.8354 65.9338 66.0899 66.3111 66.5424 66.5876 66.8427 66.9538 67.3808 67.6091 67.9125 68.0252 68.1564 68.6208 68.8869 69.0672 69.2674 69.3546 69.6562 69.9935 70.2517 70.5803 70.7023 70.8034 71.0473 71.2648 71.3774 71.9178 72.0981 72.1732 72.3362 72.4886 72.6009 72.7925 73.1252 73.1554 73.2938 73.7206 73.9280 74.0910 74.3674 74.4866 74.5718 74.5944 74.8968 75.1662 75.2197 75.2651 75.3407 75.5322 75.5928 75.8215 75.9537 76.2310 76.4813 76.5969 76.7432 76.8306 77.0799 77.2302 77.3941 77.6155 77.7602 78.0254 78.2255 78.2766 78.5397 78.6661 78.8683 78.9913 79.1936 79.2508 79.2640 79.4401 79.6468 79.7275 79.9673 80.0572 80.3111 80.4833 80.5564 80.5877 80.7969 80.9135 81.0407 81.1675 81.4206 81.6001 81.6959 81.8214 81.9721 82.2437 82.2744 82.4134 82.4289 82.6615 82.8173 82.8696 83.0230 83.1121 83.1895 83.5072 83.7976 83.9182 84.0251 84.0985 84.1594 84.1779 84.4262 84.5948 84.7587 84.8338 84.9383 84.9807 85.1353 85.2982 85.5224 85.5745 85.6517 85.8184 85.9304 86.0794 86.1787 86.3234 86.4088 86.5070 86.7277 86.7481 86.8573 86.9818 87.1355 87.2365 87.2511 87.5051 87.6761 87.7342 87.8977 87.9523 88.0915 88.1312 88.2516 88.4651 88.5073 88.5833 88.6328 88.8067 88.8776 89.0110 89.1391 89.2975 89.4095 89.5076 89.5415 89.6233 89.7398 89.7600 89.8510 90.1015 90.1318 90.2140 90.2717 90.3678 90.5038 90.6580 90.8589 90.8916 91.1956 91.2630 91.3607 91.4370 91.6320 91.7802 91.9628 92.0071 92.1252 92.3097 92.4879 92.5927 92.7621 92.9613 93.0797 93.3570 93.4180 93.5158 93.5984 93.8059 93.9709 94.1215 94.2683 94.3201 94.4712 94.5672 94.7182 94.7394 94.7874 94.9389 95.1044 95.1727 95.2829 95.4006 95.5192 95.6950 95.9068 96.0794 96.2494 96.4538 96.5134 96.7474 96.8353 96.9019 97.2185 97.2605 97.5226 97.6060 97.8258 97.9511 98.0818 98.2110 98.3478 98.5146 98.6225 98.7488 98.8613 99.1693 99.2266 99.3245 99.4893 99.7043 99.9375 99.9921 100.0588 100.1538 100.3176 100.5491 100.6473 100.8883 101.2255 101.2968 101.4917 101.6236 101.7496 101.8040 101.9931 102.0564 102.1489 102.3923 102.5880 102.6171 102.7568 103.1171 103.2309 103.3227 103.4269 103.6578 103.6838 103.8149 103.8931 104.1360 104.2546 104.4846 104.6151 104.7189 104.8614 104.9586 105.1717 105.2930 105.3632 105.4733 105.8385 105.9786 106.2093 106.3240 106.4549 106.5883 106.9065 106.9807 107.2657 107.4073 107.4310 107.7884 108.0269 108.0570 108.1403 108.4038 108.5178 108.6034 108.7867 109.0539 109.1412 109.2277 109.3389 109.5265 109.8068 109.9848 110.0257 110.0916 110.3051 110.4679 110.5498 110.7218 111.1325 111.2348 111.3945 111.5709 111.6053 111.8834 112.0651 112.1995 112.3988 112.5978 112.6565 112.7380 113.0383 113.1852 113.4471 113.4781 113.5299 113.5587 113.7910 113.9659 114.1880 114.3174 114.4832 114.5841 114.7393 114.7952 114.8575 115.0731 115.1051 115.1413 115.1829 115.3978 115.5997 115.8230 115.9940 116.0832 116.1213 116.2031 116.5827 116.6012 116.8063 117.0424 117.1529 117.4087 117.4823 117.5673 117.8335 117.8924 117.9988 118.3589 118.3952 118.6738 118.8114 118.9133 118.9789 119.2221 119.2671 119.5077 119.7165 119.8557 119.9267 120.1269 120.1556 120.2220 120.5938 120.7744 120.9377 121.0591 121.2893 121.3513 121.4819 121.6036 121.7234 121.9666 122.0713 122.2757 122.4527 122.6607 123.0068 123.2507 123.6342 123.8457 124.0212 124.0523 124.3847 124.5179 124.7020 125.0272 125.1349 125.5862 125.7566 125.8745 126.0707 126.3313 126.5534 126.7469 126.8706 127.1498 127.2077 127.4469 127.5086 127.8229 128.0143 128.3737 128.6658 128.9004 129.1448 129.2409 129.4901 129.6842 129.8213 130.0547 130.6996 130.8579 131.2185 131.3793 131.5317 131.5693 131.6960 131.8250 132.0712 132.5872 132.8429 133.0327 133.2167 133.3959 133.5314 133.8426 133.9603 133.9717 134.2161 134.5796 134.8405 134.8951 135.1154 135.4125 135.6085 135.7927 135.8536 135.9515 136.2558 136.3822 137.1214 137.3584 137.4776 137.5978 137.7503 138.0260 138.1466 138.4408 138.6056 138.6847 138.7597 139.1489 139.3099 139.5923 139.9443 140.0737 140.3497 140.6964 140.8400 141.4787 141.6977 142.0940 142.3704 142.6425 142.8592 143.0563 143.1337 143.5256 143.7072 143.9565 144.2000 144.3239 144.5069 144.7214 145.1303 145.2134 145.3577 145.7814 145.9810 146.1730 146.4357 146.5159 147.2025 147.7599 147.7644 147.9944 148.4761 148.5028 148.5819 148.8699 148.9646 149.1659 149.5734 149.9951 150.0514 150.1611 150.3677 150.4219 150.6108 150.7554 150.8779 151.0473 151.3051 151.5651 152.0667 152.2331 152.4126 152.4972 152.7633 152.7818 153.0202 153.1479 153.4037 153.7561 153.9314 154.0713 154.2136 154.2850 154.5194 154.5375 154.9839 155.1580 155.3423 155.5468 155.7719 156.0282 156.6736 156.7543 156.9328 157.1729 157.2443 157.4791 157.5719 158.1388 158.2646 158.4758 158.6882 159.1673 159.3802 159.5580 159.8996 160.1210 160.4147 160.5776 160.8540 161.4576 162.3252 162.7394 162.9064 163.7964 164.8612 165.4884 166.4717 167.9511 169.4960 170.5647 171.0436 171.8670 172.1452 172.8510 173.2033 173.9048 175.2155 176.3276 176.4339 177.1901 177.3529 179.1967 180.2259 180.7784 181.1151 182.1173 182.2104 184.9292 186.2049 187.0877 187.2135 188.1309 188.5003 188.6479 188.9173 189.2816 189.4338 190.0010 191.1983 192.8259 192.9684 193.4441 194.4603 195.2725 196.2900 196.6043 197.1074 197.9658 198.3479 199.4621 200.6165 201.9033 205.5659 206.4424 206.4685 207.8994 212.1302 222.0105 223.5289 224.8821 228.0700 230.2181 230.3291 236.2875 241.4058 248.1979 249.3605 296.0263 298.2644 313.8004 617.4917 618.4791 627.0237 632.4303 633.8758 635.0224 636.1699 636.6451 637.6677 639.2752 639.7852 640.2651 640.4900 641.8216 642.9516 643.4561 644.5275 646.5289 646.9253 649.7677 650.8379 718.2365 906.0768 1198.1513 1200.1986 1202.0166 1209.5917 1214.6562 1565.2197 -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 Cl F O O O O O N C C 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 -0.053484 -0.196516 -0.299302 -0.338886 -0.281324 -0.242497 -0.348073 -0.079852 -0.135552 -0.136122 -0.080153 -0.073425 -0.105882 -0.036536 0.279590 0.229776 0.014674 -0.155722 0.216473 0.272161 -0.034113 -0.147900 -0.118533 0.037796 -0.114396 -0.018609 -0.243778 0.002214 0.293490 0.075850 0.080829 0.076626 0.081156 0.095140 0.094648 0.093379 0.094401 0.105664 0.076403 -0.013456 0.062270 0.068025 0.112852 0.068173 0.055391 0.108719 0.106663 0.084648 0.070810 0.068777 0.117827 0.109683 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 Cl F O O O O O N C C 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 17.0535 9.1965 8.2993 8.3389 8.2813 8.2425 8.3481 7.0799 6.1356 6.1361 6.0802 6.0734 6.1059 6.0365 5.7204 5.7702 5.9853 6.1557 5.7835 5.7278 6.0341 6.1479 6.1185 5.9622 6.1144 6.0186 6.2438 5.9978 5.7065 0.9241 0.9192 0.9234 0.9188 0.9049 0.9054 0.9066 0.9056 0.8943 0.9236 1.0135 0.9377 0.9320 0.8871 0.9318 0.9446 0.8913 0.8933 0.9154 0.9292 0.9312 0.8822 0.8903 17.0000 9.0000 8.0000 8.0000 8.0000 8.0000 8.0000 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 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 -0.0535 -0.1965 -0.2993 -0.3389 -0.2813 -0.2425 -0.3481 -0.0799 -0.1356 -0.1361 -0.0802 -0.0734 -0.1059 -0.0365 0.2796 0.2298 0.0147 -0.1557 0.2165 0.2722 -0.0341 -0.1479 -0.1185 0.0378 -0.1144 -0.0186 -0.2438 0.0022 0.2935 0.0759 0.0808 0.0766 0.0812 0.0951 0.0946 0.0934 0.0944 0.1057 0.0764 -0.0135 0.0623 0.0680 0.1129 0.0682 0.0554 0.1087 0.1067 0.0846 0.0708 0.0688 0.1178 0.1097 1.2560 1.1038 2.2187 2.1666 2.1321 2.1476 2.1628 3.0296 3.8977 3.8979 3.9248 3.9210 3.6807 3.6443 4.2364 4.2266 3.6962 3.9432 4.1089 3.8855 3.8548 3.9656 3.9367 3.8496 3.9128 3.8739 3.9347 3.9388 4.1662 1.0087 1.0118 1.0086 1.0116 1.0189 1.0079 1.0192 1.0086 1.0345 1.0242 1.0568 1.0154 1.0154 1.0247 1.0076 1.0093 1.0034 1.0086 1.0068 1.0030 1.0079 0.9953 1.0019 1.2560 1.1038 2.2187 2.1666 2.1321 2.1476 2.1628 3.0296 3.8977 3.8979 3.9248 3.9210 3.6807 3.6443 4.2364 4.2266 3.6962 3.9432 4.1089 3.8855 3.8548 3.9656 3.9367 3.8496 3.9128 3.8739 3.9347 3.9388 4.1662 1.0087 1.0118 1.0086 1.0116 1.0189 1.0079 1.0192 1.0086 1.0345 1.0242 1.0568 1.0154 1.0154 1.0247 1.0076 1.0093 1.0034 1.0086 1.0068 1.0030 1.0079 0.9953 1.0019 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 1.1030 1.0590 2.1452 2.0894 1.1378 0.9748 0.8529 1.2096 2.0218 1.0794 1.1003 0.8405 0.9207 0.9271 1.0064 1.0093 0.9262 1.0063 1.0092 0.9872 1.0009 0.9871 0.9840 1.0017 0.9873 1.7426 0.9553 0.9521 1.3713 1.4104 1.3723 0.9467 1.4517 1.2971 0.9412 0.9484 0.9945 1.0002 1.3761 0.9843 0.9727 0.9995 0.9945 0.9393 1.0068 1.0062 0.9909 0.9925 0.9978 0.9943 0.9895 0.9153 0.9590 1.0159 0 23 1 18 2 14 3 15 4 19 4 27 5 25 5 28 6 28 7 14 7 15 7 16 8 9 8 10 8 29 8 30 9 11 9 31 9 32 10 12 10 33 10 34 11 13 11 35 11 36 12 13 12 14 13 15 16 17 16 18 17 19 17 37 18 21 19 23 20 22 20 24 20 38 20 39 21 23 21 42 22 25 22 40 22 41 24 26 24 43 24 44 25 45 25 46 26 47 26 48 26 49 27 28 27 50 27 51 -0.030994835 -1805.217029935826 -14.47040 13.18241 -1.28799 20.06026 -19.74226 0.31799 22.13981 -21.53571 0.60409 1.45772 3.70524