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 52 53 54 Cl Cl F F F F O O O O N N N C C 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 1 1 2 2 2 2 3 3 3 3 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 529.1634127999998 AuxInfo=1/0/N:36,35,33,27,29,24,21,22,15,23,26,19,17,25,32,31,16,20,34,30,28,14,18,2,1,6,3,4,5,12,11,13,10,9,8,7/E:(7,8)(15,16)(24,25)(27,28,29)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,31.2,33.1,34.1/rA:55nClClFFFFOOO1O1N2NNCCC3C3CC3CC3C3CC3C3C3C3C3C3C3C3C3CC3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s7;;s8;s7;s14;s11s15;s14;s3s4s5s14;s16;s12;s17;s17;s8s20;s19;;s24s25;s19;s9s13s20;s25s27;s10s12s25;s1s22;s2s21;s13;s6s31s32;s26;s33;s15;s15;s20;s21;s22;s23;s23;s24;s27;s12;s29;s33;s33;s35;s35;s35;s36;s36;s36;/rC:-6.0549,-.203,3.4267;-7.0316,-1.2601,-1.7138;-3.5498,3.5789,.9555;-2.2476,3.8921,-.7297;-4.328,3.4471,-1.0473;-7.4425,-1.3459,1.1527;-2.5946,1.3969,-1.6732;8.6516,-1.3907,1.1811;6.548,-2.8039,-1.1586;5.6459,.12,-.6056;-1.2879,1.0009,-1.7747;5.0595,-1.3956,.9533;8.3296,-1.8602,-.0878;-2.9418,1.6683,-.3148;-1.6709,1.3444,.4839;-.7461,.9616,-.6264;-4.1588,.8542,.0765;-3.2728,3.1652,-.2833;.6514,.5692,-.4538;6.3858,-1.9096,1.1269;-4.9453,.2566,-.9;-4.4986,.7196,1.4178;7.4124,-.9752,1.7584;1.4266,.197,-1.5541;3.3283,-.1355,-.1427;2.762,-.1506,-1.4273;1.2275,.5686,.8115;7.0634,-2.2618,-.1966;2.5578,.2093,.9601;4.7772,-.4489,.0372;-5.6124,-.0184,1.7765;-6.0524,-.4883,-.5303;9.4389,-2.0678,-.9772;-6.3865,-.6259,.8041;3.5392,-.5463,-2.6488;10.3685,-3.188,-.5442;-1.8168,.5135,1.1757;-1.2813,2.1795,1.0686;6.3007,-2.8316,1.7074;-4.7043,.3482,-1.9493;-3.8994,1.1689,2.1988;7.2112,.073,1.5246;7.5032,-1.0919,2.8364;.9764,.1774,-2.5389;.6556,.8488,1.6864;4.3004,-1.9048,1.3779;2.9994,.2228,1.9488;9.0046,-2.2851,-1.9525;9.9818,-1.1256,-1.0738;4.2168,.2459,-2.968;4.1412,-1.4403,-2.4828;2.8634,-.7527,-3.4774;9.8385,-4.1386,-.4792;10.8328,-2.984,.4205;11.1675,-3.2981,-1.2776; 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 1977 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 280 Dim 1404 ENuc 4098.3040056402 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 4.999e-06 Time for diagonalization 0.958 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.849 sec Total time needed 1.824 sec 17 17 9 9 9 9 8 8 8 8 7 7 7 6 6 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 1 529.1634127999998 AuxInfo=1/0/N:36,35,33,27,29,24,21,22,15,23,26,19,17,25,32,31,16,20,34,30,28,14,18,2,1,6,3,4,5,12,11,13,10,9,8,7/E:(7,8)(15,16)(24,25)(27,28,29)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,31.2,33.1,34.1/rA:55nClClFFFFOOO1O1N2NNCCC3C3CC3CC3C3CC3C3C3C3C3C3C3C3C3CC3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s7;;s8;s7;s14;s11s15;s14;s3s4s5s14;s16;s12;s17;s17;s8s20;s19;;s24s25;s19;s9s13s20;s25s27;s10s12s25;s1s22;s2s21;s13;s6s31s32;s26;s33;s15;s15;s20;s21;s22;s23;s23;s24;s27;s12;s29;s33;s33;s35;s35;s35;s36;s36;s36;/rC:-6.0549,-.203,3.4267;-7.0316,-1.2601,-1.7138;-3.5498,3.5789,.9555;-2.2476,3.8921,-.7297;-4.328,3.4471,-1.0473;-7.4425,-1.3459,1.1527;-2.5946,1.3969,-1.6732;8.6516,-1.3907,1.1811;6.548,-2.8039,-1.1586;5.6459,.12,-.6056;-1.2879,1.0009,-1.7747;5.0595,-1.3956,.9533;8.3296,-1.8602,-.0878;-2.9418,1.6683,-.3148;-1.6709,1.3444,.4839;-.7461,.9616,-.6264;-4.1588,.8542,.0765;-3.2728,3.1652,-.2833;.6514,.5692,-.4538;6.3858,-1.9096,1.1269;-4.9453,.2566,-.9;-4.4986,.7196,1.4178;7.4124,-.9752,1.7584;1.4266,.197,-1.5541;3.3283,-.1355,-.1427;2.762,-.1506,-1.4273;1.2275,.5686,.8115;7.0634,-2.2618,-.1966;2.5578,.2093,.9601;4.7772,-.4489,.0372;-5.6124,-.0184,1.7765;-6.0524,-.4883,-.5303;9.4389,-2.0678,-.9772;-6.3865,-.6259,.8041;3.5392,-.5463,-2.6488;10.3685,-3.188,-.5442;-1.8168,.5135,1.1757;-1.2813,2.1795,1.0686;6.3007,-2.8316,1.7074;-4.7043,.3482,-1.9493;-3.8994,1.1689,2.1988;7.2112,.073,1.5246;7.5032,-1.0919,2.8364;.9764,.1774,-2.5389;.6556,.8488,1.6864;4.3004,-1.9048,1.3779;2.9994,.2228,1.9488;9.0046,-2.2851,-1.9525;9.9818,-1.1256,-1.0738;4.2168,.2459,-2.968;4.1412,-1.4403,-2.4828;2.8634,-.7527,-3.4774;9.8385,-4.1386,-.4792;10.8328,-2.984,.4205;11.1675,-3.2981,-1.2776; 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 cpcm smd true smdsolvent "1-OCTANOL" 529.1634127999998 AuxInfo=1/0/N:36,35,33,27,29,24,21,22,15,23,26,19,17,25,32,31,16,20,34,30,28,14,18,2,1,6,3,4,5,12,11,13,10,9,8,7/E:(7,8)(15,16)(24,25)(27,28,29)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,31.2,33.1,34.1/rA:55nClClFFFFOOO1O1N2NNCCC3C3CC3CC3C3CC3C3C3C3C3C3C3C3C3CC3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s7;;s8;s7;s14;s11s15;s14;s3s4s5s14;s16;s12;s17;s17;s8s20;s19;;s24s25;s19;s9s13s20;s25s27;s10s12s25;s1s22;s2s21;s13;s6s31s32;s26;s33;s15;s15;s20;s21;s22;s23;s23;s24;s27;s12;s29;s33;s33;s35;s35;s35;s36;s36;s36;/rC:-6.0549,-.203,3.4267;-7.0316,-1.2601,-1.7138;-3.5498,3.5789,.9555;-2.2476,3.8921,-.7297;-4.328,3.4471,-1.0473;-7.4425,-1.3459,1.1527;-2.5946,1.3969,-1.6732;8.6516,-1.3907,1.1811;6.548,-2.8039,-1.1586;5.6459,.12,-.6056;-1.2879,1.0009,-1.7747;5.0595,-1.3956,.9533;8.3296,-1.8602,-.0878;-2.9418,1.6683,-.3148;-1.6709,1.3444,.4839;-.7461,.9616,-.6264;-4.1588,.8542,.0765;-3.2728,3.1652,-.2833;.6514,.5692,-.4538;6.3858,-1.9096,1.1269;-4.9453,.2566,-.9;-4.4986,.7196,1.4178;7.4124,-.9752,1.7584;1.4266,.197,-1.5541;3.3283,-.1355,-.1427;2.762,-.1506,-1.4273;1.2275,.5686,.8115;7.0634,-2.2618,-.1966;2.5578,.2093,.9601;4.7772,-.4489,.0372;-5.6124,-.0184,1.7765;-6.0524,-.4883,-.5303;9.4389,-2.0678,-.9772;-6.3865,-.6259,.8041;3.5392,-.5463,-2.6488;10.3685,-3.188,-.5442;-1.8168,.5135,1.1757;-1.2813,2.1795,1.0686;6.3007,-2.8316,1.7074;-4.7043,.3482,-1.9493;-3.8994,1.1689,2.1988;7.2112,.073,1.5246;7.5032,-1.0919,2.8364;.9764,.1774,-2.5389;.6556,.8488,1.6864;4.3004,-1.9048,1.3779;2.9994,.2228,1.9488;9.0046,-2.2851,-1.9525;9.9818,-1.1256,-1.0738;4.2168,.2459,-2.968;4.1412,-1.4403,-2.4828;2.8634,-.7527,-3.4774;9.8385,-4.1386,-.4792;10.8328,-2.984,.4205;11.1675,-3.2981,-1.2776; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3094 GEPOL Volume 3495.3500 GEPOL Surface-area 1884.4112 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -2673.00626005 4098.30400564 -6771.31026569 -11827.72047528 5056.41020959 -0.05452231 -5337.89609573 2664.88983568 2.00304569 139.999996361727 139.999996361727 279.999992723454 -201.535997459641 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 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.6957 -2765.6654 -675.7033 -675.6583 -675.6519 -675.5182 -525.1848 -524.9636 -522.7891 -522.7218 -394.7583 -394.2067 -393.5046 -286.7547 -282.8704 -282.8470 -282.7038 -282.6263 -282.0263 -282.0021 -281.3310 -281.2632 -281.2395 -280.8670 -280.7051 -280.5994 -280.5410 -280.5188 -280.5061 -280.3811 -280.3042 -280.1026 -280.0372 -279.9122 -279.3129 -279.2816 -260.9620 -260.9316 -199.8049 -199.7744 -199.5592 -199.5491 -199.5290 -199.5187 -39.5367 -37.5260 -37.0052 -36.9785 -34.2094 -34.0303 -32.0584 -31.5128 -28.8910 -28.5479 -27.9021 -27.5861 -27.4566 -27.0796 -26.5697 -25.6986 -25.0240 -24.5781 -24.1454 -23.9921 -23.6330 -23.5636 -23.0039 -22.0623 -21.4738 -21.3561 -21.0856 -20.7140 -20.3698 -20.3008 -19.7438 -19.4644 -19.4013 -19.2003 -19.0207 -18.4732 -18.4332 -18.1815 -17.9304 -17.4401 -17.3469 -17.1568 -16.6875 -16.6535 -16.3312 -16.2481 -16.0868 -16.0520 -15.8211 -15.6711 -15.5195 -15.2663 -15.2499 -15.0694 -15.0609 -15.0131 -14.9628 -14.9401 -14.7545 -14.6613 -14.4896 -14.3902 -14.3655 -14.2547 -14.2256 -14.1668 -14.0502 -13.8875 -13.8000 -13.5932 -13.4652 -13.3568 -13.2787 -13.1336 -13.0998 -12.9442 -12.7561 -12.7353 -12.6844 -12.4005 -12.2123 -12.0957 -11.7401 -11.7106 -11.5888 -11.5418 -11.1769 -10.6209 -10.6114 -10.1262 -9.6896 -9.5085 -9.4622 -9.3760 -8.8520 -8.7301 0.1761 0.8773 1.0800 1.5051 2.1811 2.2449 2.5732 3.2593 3.3710 3.4547 3.5654 3.6361 4.0135 4.0503 4.2276 4.3350 4.3870 4.5596 4.6087 4.6280 4.7975 4.9095 4.9938 5.0624 5.2034 5.3524 5.5047 5.5132 5.6163 5.6852 5.7250 5.8533 5.9256 6.0112 6.1301 6.2296 6.4356 6.5013 6.5414 6.6264 6.6578 6.7043 6.8194 7.0544 7.1887 7.3267 7.4572 7.4843 7.5990 7.6596 7.7567 7.8378 7.9358 8.0017 8.0782 8.1156 8.2564 8.2910 8.3948 8.5008 8.5937 8.7356 8.7803 8.8554 8.9114 8.9893 9.1114 9.1327 9.1530 9.2611 9.3754 9.4242 9.5198 9.5734 9.6800 9.6961 9.8472 9.9838 10.0005 10.1742 10.2633 10.2813 10.4559 10.5543 10.6263 10.6616 10.7655 10.8367 10.9415 11.1193 11.1733 11.2284 11.3380 11.4056 11.4623 11.6171 11.6604 11.7238 11.8905 11.9495 11.9913 12.0246 12.1107 12.1836 12.1893 12.3390 12.3862 12.5787 12.6334 12.7029 12.7916 12.8762 12.9735 13.0590 13.1776 13.2094 13.2487 13.3300 13.3873 13.4948 13.6107 13.6879 13.7349 13.7784 13.9024 13.9047 14.0023 14.0740 14.1886 14.2707 14.3397 14.4396 14.5854 14.5974 14.6409 14.6833 14.7637 14.8149 14.8824 14.9730 15.0748 15.1733 15.2690 15.3717 15.5164 15.5958 15.6577 15.7563 15.8395 15.9124 15.9726 16.0916 16.1406 16.2213 16.4736 16.6468 16.6725 16.8500 16.9352 16.9958 17.0628 17.0992 17.1615 17.2003 17.3919 17.5237 17.5685 17.6505 17.7814 17.8931 17.9625 18.0085 18.1260 18.2752 18.3745 18.4670 18.5339 18.6879 18.9042 19.0538 19.1619 19.2105 19.4063 19.4450 19.6603 19.6972 19.8684 20.0234 20.0502 20.1492 20.2719 20.3638 20.4665 20.7152 20.7923 20.8143 20.9633 21.0038 21.1348 21.2904 21.3755 21.5010 21.6827 21.7044 21.7503 21.8761 22.0077 22.0489 22.2148 22.2590 22.5338 22.5512 22.6466 22.7434 22.9220 23.0936 23.1617 23.2149 23.2383 23.3243 23.3880 23.5314 23.5890 23.7850 23.8743 24.0306 24.1714 24.2729 24.3202 24.4336 24.5218 24.6721 24.7545 24.9497 25.0691 25.1482 25.2093 25.3183 25.4665 25.5691 25.6936 25.8542 25.9030 26.1024 26.1549 26.2429 26.3593 26.4783 26.5246 26.6608 26.8530 26.9713 27.1396 27.2196 27.3403 27.4929 27.5884 27.6587 27.7323 27.8212 28.0285 28.2764 28.3564 28.4999 28.6458 28.6968 28.7480 28.8292 29.0841 29.1942 29.2118 29.3264 29.3686 29.4107 29.5060 29.5679 29.6137 29.7825 29.9183 30.1832 30.2256 30.3081 30.4692 30.5540 30.6930 30.7814 30.8363 31.0932 31.1634 31.2306 31.2724 31.3155 31.5712 31.7159 31.8248 31.9984 32.0165 32.1034 32.2349 32.3726 32.5076 32.6290 32.7648 32.8276 32.9961 33.1086 33.2116 33.3937 33.4913 33.6788 33.9947 34.0137 34.1213 34.2619 34.3467 34.6064 34.6374 34.8204 34.8497 34.9772 35.0656 35.2719 35.3625 35.4525 35.6029 35.6793 35.7589 35.9731 36.0457 36.1964 36.4043 36.5504 36.6118 36.7626 36.7979 36.9813 37.1740 37.2678 37.3980 37.4872 37.7942 37.9743 37.9881 38.1383 38.3319 38.3626 38.5228 38.6561 38.8404 38.9142 38.9905 39.1475 39.2765 39.3559 39.4394 39.6013 39.7128 39.8408 39.8949 40.0953 40.1554 40.2853 40.4515 40.5273 40.6137 40.9151 41.0114 41.1983 41.3609 41.3677 41.4663 41.7122 41.7822 41.9610 42.0365 42.0867 42.2122 42.3303 42.4361 42.5355 42.6281 42.9000 42.9349 42.9779 43.1186 43.1368 43.2625 43.4330 43.6517 43.7233 43.8659 44.0066 44.0279 44.2401 44.3884 44.5918 44.7787 44.8491 45.0446 45.0743 45.3010 45.3127 45.5777 45.6799 45.7739 45.8869 46.0929 46.1278 46.2370 46.3055 46.4216 46.5518 46.6188 46.8520 47.0037 47.2192 47.2714 47.4477 47.5190 47.6501 47.6827 47.8056 48.1025 48.2234 48.3407 48.6321 48.9882 49.1023 49.1369 49.3167 49.4732 49.5936 49.7274 49.9851 50.1042 50.3716 50.4010 50.6371 50.8465 50.9242 51.0432 51.3149 51.3889 51.6119 51.6776 51.8437 51.9070 51.9883 52.1289 52.2795 52.3869 52.4599 52.5873 52.7945 52.8917 53.1984 53.2596 53.4893 53.6047 53.6796 54.0222 54.0770 54.4109 54.4676 54.6226 54.9025 54.9400 55.1764 55.3392 55.7928 55.9680 56.1094 56.3479 56.4747 56.5579 56.7789 56.9629 57.1183 57.2095 57.2430 57.4677 57.6083 57.6329 57.7568 57.9673 58.0002 58.2146 58.3924 58.5248 58.5885 58.8596 58.9743 59.0634 59.1230 59.1953 59.2736 59.4196 59.5167 59.6924 59.8077 59.8240 59.8910 60.0195 60.1223 60.3944 60.5352 60.6544 60.9089 61.0177 61.4387 61.5998 61.6500 61.8599 61.9991 62.1630 62.4182 62.5592 62.6605 62.7730 62.9264 63.1436 63.1485 63.2000 63.5792 63.6280 63.8076 63.9895 64.1186 64.2412 64.5011 64.5995 64.6121 64.7592 64.9404 65.1323 65.2343 65.2851 65.4653 65.7016 65.9466 66.0565 66.2530 66.4730 66.5420 66.5631 66.8163 66.8681 67.0872 67.1885 67.3191 67.4729 67.6323 67.7135 68.0658 68.2149 68.4455 68.7094 68.9304 69.1067 69.3069 69.8316 69.9909 70.1131 70.3896 70.6208 70.6800 70.9302 71.1430 71.3295 71.3820 71.3963 71.5055 71.6358 71.7676 72.2295 72.3968 72.5118 72.6041 72.7804 72.8899 73.0262 73.4262 73.6533 73.8763 74.0595 74.4302 74.4892 74.6392 74.7030 75.0122 75.1932 75.2870 75.4196 75.7358 75.8546 76.0348 76.2422 76.4387 76.5179 76.6996 76.7524 77.0434 77.2502 77.2886 77.5556 77.8023 77.8417 77.9333 78.0956 78.3476 78.5560 78.6370 78.6968 78.8136 78.9904 79.0809 79.1937 79.3705 79.4146 79.5792 79.6746 79.8190 79.9759 80.1308 80.2426 80.3088 80.4960 80.6959 80.7861 80.9727 81.0775 81.1542 81.2185 81.2955 81.3952 81.5878 81.6327 81.7207 81.8678 82.0283 82.0388 82.2292 82.3026 82.4666 82.5296 82.5658 82.6586 82.7240 82.8570 82.9485 83.0523 83.2552 83.3404 83.5050 83.5619 83.6751 83.9461 84.0267 84.1844 84.2673 84.3492 84.4448 84.5258 84.5768 84.7251 84.9063 85.0159 85.1009 85.3626 85.4873 85.6290 85.6943 85.8565 85.9808 86.1442 86.1743 86.2118 86.2988 86.3849 86.5064 86.6982 86.7157 87.1041 87.1139 87.2797 87.3231 87.4196 87.6037 87.6321 87.7356 87.8261 87.9222 88.0112 88.1225 88.2370 88.4101 88.4207 88.5088 88.7074 88.8354 88.8478 88.8851 88.9952 89.1818 89.2434 89.3239 89.4259 89.4693 89.6552 89.6987 89.8513 89.9814 90.0575 90.3056 90.4150 90.5405 90.7095 90.7495 90.9679 91.0436 91.1251 91.2553 91.4098 91.4136 91.5400 91.6874 91.6996 91.8898 92.0866 92.1380 92.2779 92.3035 92.4274 92.5595 92.9797 93.0417 93.2788 93.4114 93.4762 93.5527 93.7760 93.9032 93.9548 94.1459 94.3089 94.4609 94.5020 94.5489 94.6574 94.8333 95.0088 95.0737 95.2910 95.5564 95.6282 95.6959 95.8753 95.9559 95.9704 96.3714 96.4188 96.5458 96.6626 96.9197 96.9913 97.0696 97.1005 97.2875 97.3831 97.5318 97.7156 97.8315 97.8766 97.9040 98.1240 98.2110 98.3261 98.5319 98.6265 98.7303 98.7599 98.8423 99.0761 99.1652 99.3851 99.4667 99.6160 99.7338 99.9528 100.1251 100.2035 100.4389 100.5554 100.8646 100.8756 100.9746 101.0102 101.1436 101.2479 101.4605 101.5845 101.6796 101.8948 102.0516 102.2171 102.4117 102.4327 102.5084 102.6089 102.8168 102.8912 103.0490 103.1072 103.3971 103.6189 103.6969 103.8282 104.0400 104.1123 104.3322 104.4998 104.6993 104.7165 104.9256 104.9367 104.9797 105.2076 105.3483 105.5760 105.5907 105.7713 106.0728 106.1954 106.3053 106.3335 106.5240 106.5896 106.6896 106.9719 106.9917 107.1528 107.2769 107.4238 107.4910 107.6448 107.7736 108.0914 108.3190 108.4994 108.6618 108.8321 108.9621 109.0866 109.2772 109.3062 109.4203 109.4781 109.5161 109.7886 109.8830 110.0966 110.3134 110.4330 110.5303 110.8352 110.9062 110.9111 111.0961 111.1218 111.3030 111.3997 111.6199 111.7585 111.9402 111.9749 112.2176 112.2416 112.3224 112.5503 112.5991 112.8537 112.8675 113.0946 113.2168 113.3645 113.5441 113.5891 113.7834 113.8903 114.0376 114.1360 114.3787 114.4874 114.5220 114.6155 114.9118 115.1363 115.1900 115.4375 115.4646 115.5680 115.7838 116.1497 116.2855 116.4368 116.5221 116.5398 116.7068 116.8766 117.0368 117.1931 117.3336 117.3727 117.6647 117.6808 117.7636 117.9366 118.0497 118.1910 118.2515 118.4195 118.4383 118.5669 118.6129 118.6761 118.9368 119.2334 119.3907 119.4995 119.5403 119.6263 119.8562 119.9872 120.0486 120.2412 120.4607 120.7068 120.7775 120.8271 121.1055 121.5467 121.6211 121.7440 122.0367 122.1615 122.3310 122.5116 122.7212 123.0560 123.3435 123.4908 123.7244 124.0007 124.2248 124.3147 124.4833 124.8193 124.8989 125.3047 125.5478 125.8802 126.0215 126.2400 126.4286 126.5543 126.7223 126.9215 127.3051 127.4288 127.5317 127.7310 128.0143 128.6184 128.8475 128.9720 129.2230 129.5762 129.8839 130.0782 130.1717 130.4444 130.7230 130.8258 130.8686 131.2735 131.5936 131.7696 131.9566 132.3289 132.4881 132.6657 132.6803 132.7168 133.1578 133.2244 133.4364 133.6041 133.8334 134.0805 134.3072 134.4874 134.6374 134.9195 135.0266 135.2091 135.2361 135.6628 135.7252 135.8407 136.0681 136.3658 136.5899 136.6380 137.0747 137.3476 137.5699 137.6150 137.7628 137.9476 138.1085 138.1826 138.3537 138.9739 139.5051 139.7299 140.1119 140.1961 140.4178 140.6952 141.1368 141.4031 141.5274 141.7368 141.9634 142.3047 142.5921 142.6351 142.9508 143.1326 143.4758 143.6987 143.7904 144.0704 144.3836 144.4478 145.0562 145.2837 145.4939 145.6869 145.7384 145.9977 146.1711 146.4943 146.6988 146.9107 147.2335 147.3259 147.6255 147.7141 147.7901 148.0766 148.2350 148.3462 148.5547 148.7834 148.8212 148.9558 149.1091 149.4357 149.6030 149.7497 149.9798 150.2636 150.3778 150.7853 150.9242 150.9457 151.1648 151.3093 151.6496 151.8120 151.9728 152.3597 152.8608 153.0505 153.2155 153.6005 153.6571 153.7694 153.9375 154.1811 154.2554 154.9410 155.2861 155.5868 155.6439 155.7533 156.0757 156.2261 156.5259 156.6325 157.0715 157.3594 157.7820 158.1880 158.5497 158.5765 158.7158 158.9830 159.2513 159.4841 159.7764 159.9296 160.2696 160.6121 162.0122 162.1097 162.6204 163.3247 163.6777 164.1953 164.4096 164.5599 166.3319 166.6466 166.6627 167.6994 167.7880 168.5995 169.6646 171.9569 172.2740 172.4904 172.8956 175.3590 176.9520 178.0725 178.4271 178.6814 179.0705 180.6911 181.5120 181.8059 184.6531 185.4248 186.6802 187.2419 187.5612 187.9815 188.4462 188.5253 188.6898 188.8941 188.9318 188.9964 189.0921 189.2852 189.3566 189.4435 189.6150 189.7866 190.0487 190.5560 191.7107 191.9627 192.3943 192.5705 192.6284 193.7690 194.1796 194.3101 195.0106 195.0912 195.2698 196.0275 196.5861 196.7823 197.1768 199.4390 199.7745 202.6861 202.9857 203.3150 203.6863 204.0409 205.4713 207.1128 209.7693 209.8516 210.7904 214.1824 214.9450 221.2305 221.3919 222.6956 223.0035 223.2692 223.4805 227.1833 227.3109 228.7849 228.9936 229.0525 229.3048 229.3351 229.6073 233.3667 233.7285 235.6688 236.0895 239.1916 240.8263 241.5743 241.7666 244.5194 245.7520 247.3282 247.3702 247.4070 247.5645 250.9736 251.2825 294.6235 294.6779 297.0663 297.9681 311.8116 312.7813 609.7030 620.1179 622.4935 624.1305 625.3924 629.1134 630.9016 631.7938 633.4408 634.2850 635.9815 636.1300 636.9019 637.6370 640.4408 641.6460 643.4974 644.1656 644.6613 646.3194 648.4047 649.2099 659.5062 713.9973 716.0538 881.1938 897.2088 902.5726 1199.7963 1202.0635 1207.6036 1216.0545 1561.3858 1562.5959 1563.1092 1564.1017 -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 54 Cl Cl F F F F O O O O N N N C C 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 -0.054465 -0.055286 -0.174538 -0.172775 -0.169018 -0.184637 -0.238354 -0.280754 -0.519560 -0.496315 -0.121335 -0.199149 0.050299 0.241436 -0.072436 0.197046 -0.024656 0.477178 -0.081845 0.132365 -0.150696 -0.174899 0.002138 -0.113938 0.061652 -0.072385 -0.166010 0.242119 -0.190470 0.352869 0.024719 0.036432 -0.023229 0.197306 -0.249691 -0.243868 0.128392 0.118746 0.113647 0.130796 0.139216 0.097923 0.107085 0.128229 0.146795 0.182768 0.148630 0.089236 0.106575 0.106356 0.102275 0.097616 0.088111 0.088740 0.093615 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 Cl Cl F F F F O O O O N N N C C 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 17.0545 17.0553 9.1745 9.1728 9.1690 9.1846 8.2384 8.2808 8.5196 8.4963 7.1213 7.1991 6.9497 5.7586 6.0724 5.8030 6.0247 5.5228 6.0818 5.8676 6.1507 6.1749 5.9979 6.1139 5.9383 6.0724 6.1660 5.7579 6.1905 5.6471 5.9753 5.9636 6.0232 5.8027 6.2497 6.2439 0.8716 0.8813 0.8864 0.8692 0.8608 0.9021 0.8929 0.8718 0.8532 0.8172 0.8514 0.9108 0.8934 0.8936 0.8977 0.9024 0.9119 0.9113 0.9064 17.0000 17.0000 9.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 8.0000 7.0000 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 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 -0.0545 -0.0553 -0.1745 -0.1728 -0.1690 -0.1846 -0.2384 -0.2808 -0.5196 -0.4963 -0.1213 -0.1991 0.0503 0.2414 -0.0724 0.1970 -0.0247 0.4772 -0.0818 0.1324 -0.1507 -0.1749 0.0021 -0.1139 0.0617 -0.0724 -0.1660 0.2421 -0.1905 0.3529 0.0247 0.0364 -0.0232 0.1973 -0.2497 -0.2439 0.1284 0.1187 0.1136 0.1308 0.1392 0.0979 0.1071 0.1282 0.1468 0.1828 0.1486 0.0892 0.1066 0.1064 0.1023 0.0976 0.0881 0.0887 0.0936 1.2474 1.2448 1.1369 1.1427 1.1444 1.1337 1.9923 1.8835 1.9964 2.0049 2.9872 3.2202 3.1177 3.9053 3.9090 3.8494 3.8095 4.4800 3.8170 3.8262 4.0766 4.0783 3.9806 3.9450 3.5912 3.8722 3.9721 4.2245 4.0216 4.1487 3.8932 3.8676 3.8879 4.1560 3.9252 3.9114 1.0069 1.0220 1.0112 1.0410 1.0233 1.0107 0.9923 1.0366 1.0039 1.0035 1.0150 1.0169 1.0009 1.0040 1.0083 1.0048 1.0042 1.0083 1.0064 1.2474 1.2448 1.1369 1.1427 1.1444 1.1337 1.9923 1.8835 1.9964 2.0049 2.9872 3.2202 3.1177 3.9053 3.9090 3.8494 3.8095 4.4800 3.8170 3.8262 4.0766 4.0783 3.9806 3.9450 3.5912 3.8722 3.9721 4.2245 4.0216 4.1487 3.8932 3.8676 3.8879 4.1560 3.9252 3.9114 1.0069 1.0220 1.0112 1.0410 1.0233 1.0107 0.9923 1.0366 1.0039 1.0035 1.0150 1.0169 1.0009 1.0040 1.0083 1.0048 1.0042 1.0083 1.0064 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 1.0779 1.0709 1.1177 1.1336 1.1380 1.1476 0.9110 0.9377 0.8227 0.9560 1.8530 1.8337 1.9142 0.9452 1.2937 0.9611 1.3157 0.9100 0.9342 0.9175 0.9635 0.9589 0.9880 0.9907 0.9768 1.4011 1.4085 1.4014 1.3860 0.9613 0.9303 0.9617 1.4230 0.9420 1.4389 0.9450 0.9907 0.9731 1.4965 0.9467 1.3364 1.4026 0.9072 0.9589 1.4899 0.9739 0.9679 1.3644 1.3677 0.9415 0.9847 0.9838 0.9818 0.9888 0.9930 0.9893 0.9907 0.9901 0 30 1 31 2 17 3 17 4 17 5 33 6 10 6 13 7 12 7 22 8 27 9 29 10 15 11 19 11 29 11 45 12 27 12 32 13 14 13 16 13 17 14 15 14 36 14 37 15 18 16 20 16 21 18 23 18 26 19 22 19 27 19 38 20 31 20 39 21 30 21 40 22 41 22 42 23 25 23 43 24 25 24 28 24 29 25 34 26 28 26 44 28 46 30 33 31 33 32 35 32 47 32 48 34 49 34 50 34 51 35 52 35 53 35 54 -0.029574665 -2673.035834717834 109.65753 -108.11626 1.54127 -22.28359 21.59982 -0.68377 -4.75411 8.30245 3.54834 3.92858 9.98567