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:-7.1044,-1.3687,-1.8846;-5.8975,-.7361,3.277;-3.6329,3.3163,.8185;-2.349,3.6784,-.8736;-4.4079,3.1428,-1.181;-7.3941,-1.6805,.9812;-2.568,1.1584,-1.7914;8.3557,-2.2885,1.3908;7.4434,-.4618,-1.395;5.4217,.0102,.9303;-1.2566,.7703,-1.8672;5.1747,-1.9032,-.2298;8.5344,-1.3162,.4157;-2.9436,1.4284,-.4389;-1.6723,1.1623,.3777;-.7302,.7619,-.7113;-4.1359,.5741,-.0571;-3.3394,2.9098,-.4188;.6636,.3763,-.4969;6.5338,-2.3262,-.0727;-4.4254,.3428,1.2819;-4.9639,.0533,-1.0442;6.9751,-2.6605,1.3492;1.5056,.0923,-1.5721;3.3108,-.3798,-.075;2.8272,-.2922,-1.3881;1.1683,.2975,.798;7.5326,-1.237,-.4589;2.4878,-.0642,.9992;4.7285,-.727,.2445;-6.0636,-.7074,-.6873;-5.5261,-.4206,1.629;9.5966,-.3766,.6594;-6.3447,-.9454,.6457;3.6852,-.5706,-2.5894;9.2841,.5804,1.7962;-1.8013,.355,1.0995;-1.3015,2.0264,.9316;6.6873,-3.1776,-.7398;-3.7985,.7386,2.0699;-4.7622,.2209,-2.0927;6.4071,-2.1006,2.0952;6.9172,-3.7223,1.5807;1.1263,.1816,-2.5826;.5464,.5209,1.6547;4.5559,-2.4917,-.7644;2.8764,-.1134,2.0084;10.517,-.9313,.8502;9.7428,.1652,-.2744;3.7838,-1.6413,-2.7785;3.2431,-.13,-3.4817;4.692,-.1667,-2.4847;10.1081,1.2832,1.9209;9.1502,.0558,2.742;8.3799,1.1531,1.5886; 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 4116.1076579747 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 5.010e-06 Time for diagonalization 0.928 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.872 sec Total time needed 1.818 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:-7.1044,-1.3687,-1.8846;-5.8975,-.7361,3.277;-3.6329,3.3163,.8185;-2.349,3.6784,-.8736;-4.4079,3.1428,-1.181;-7.3941,-1.6805,.9812;-2.568,1.1584,-1.7914;8.3557,-2.2885,1.3908;7.4434,-.4618,-1.395;5.4217,.0102,.9303;-1.2566,.7703,-1.8672;5.1747,-1.9032,-.2298;8.5344,-1.3162,.4157;-2.9436,1.4284,-.4389;-1.6723,1.1623,.3777;-.7302,.7619,-.7113;-4.1359,.5741,-.0571;-3.3394,2.9098,-.4188;.6636,.3763,-.4969;6.5338,-2.3262,-.0727;-4.4254,.3428,1.2819;-4.9639,.0533,-1.0442;6.9751,-2.6605,1.3492;1.5056,.0923,-1.5721;3.3108,-.3798,-.075;2.8272,-.2922,-1.3881;1.1683,.2975,.798;7.5326,-1.237,-.4589;2.4878,-.0642,.9992;4.7285,-.727,.2445;-6.0636,-.7074,-.6873;-5.5261,-.4206,1.629;9.5966,-.3766,.6594;-6.3447,-.9454,.6457;3.6852,-.5706,-2.5894;9.2841,.5804,1.7962;-1.8013,.355,1.0995;-1.3015,2.0264,.9316;6.6873,-3.1776,-.7398;-3.7985,.7386,2.0699;-4.7622,.2209,-2.0927;6.4071,-2.1006,2.0952;6.9172,-3.7223,1.5807;1.1263,.1816,-2.5826;.5464,.5209,1.6547;4.5559,-2.4917,-.7644;2.8764,-.1134,2.0084;10.517,-.9313,.8502;9.7428,.1652,-.2744;3.7838,-1.6413,-2.7785;3.2431,-.13,-3.4817;4.692,-.1667,-2.4847;10.1081,1.2832,1.9209;9.1502,.0558,2.742;8.3799,1.1531,1.5886; 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:-7.1044,-1.3687,-1.8846;-5.8975,-.7361,3.277;-3.6329,3.3163,.8185;-2.349,3.6784,-.8736;-4.4079,3.1428,-1.181;-7.3941,-1.6805,.9812;-2.568,1.1584,-1.7914;8.3557,-2.2885,1.3908;7.4434,-.4618,-1.395;5.4217,.0102,.9303;-1.2566,.7703,-1.8672;5.1747,-1.9032,-.2298;8.5344,-1.3162,.4157;-2.9436,1.4284,-.4389;-1.6723,1.1623,.3777;-.7302,.7619,-.7113;-4.1359,.5741,-.0571;-3.3394,2.9098,-.4188;.6636,.3763,-.4969;6.5338,-2.3262,-.0727;-4.4254,.3428,1.2819;-4.9639,.0533,-1.0442;6.9751,-2.6605,1.3492;1.5056,.0923,-1.5721;3.3108,-.3798,-.075;2.8272,-.2922,-1.3881;1.1683,.2975,.798;7.5326,-1.237,-.4589;2.4878,-.0642,.9992;4.7285,-.727,.2445;-6.0636,-.7074,-.6873;-5.5261,-.4206,1.629;9.5966,-.3766,.6594;-6.3447,-.9454,.6457;3.6852,-.5706,-2.5894;9.2841,.5804,1.7962;-1.8013,.355,1.0995;-1.3015,2.0264,.9316;6.6873,-3.1776,-.7398;-3.7985,.7386,2.0699;-4.7622,.2209,-2.0927;6.4071,-2.1006,2.0952;6.9172,-3.7223,1.5807;1.1263,.1816,-2.5826;.5464,.5209,1.6547;4.5559,-2.4917,-.7644;2.8764,-.1134,2.0084;10.517,-.9313,.8502;9.7428,.1652,-.2744;3.7838,-1.6413,-2.7785;3.2431,-.13,-3.4817;4.692,-.1667,-2.4847;10.1081,1.2832,1.9209;9.1502,.0558,2.742;8.3799,1.1531,1.5886; 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 3097 GEPOL Volume 3492.3578 GEPOL Surface-area 1882.8968 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 1.1s -2673.00515045 4116.10765797 -6789.11280842 -11863.17256512 5074.05975670 -0.05462977 -5337.90049051 2664.89534006 2.00304320 140.000069249481 140.000069249481 280.000138498961 -201.537944778821 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 -2765.6955 -2765.6674 -675.6977 -675.6546 -675.6488 -675.5218 -525.1822 -524.9367 -522.8084 -522.7314 -394.7515 -394.2152 -393.5057 -286.7551 -282.8744 -282.8568 -282.7188 -282.6242 -282.0228 -282.0041 -281.3325 -281.2803 -281.2255 -280.8567 -280.6920 -280.6002 -280.5478 -280.5141 -280.5069 -280.4355 -280.2991 -280.0561 -280.0169 -279.9471 -279.4211 -279.2433 -260.9617 -260.9338 -199.8047 -199.7766 -199.5587 -199.5488 -199.5312 -199.5209 -39.5333 -37.5319 -37.0021 -36.9721 -34.1933 -34.0093 -32.0613 -31.5220 -28.9112 -28.5496 -27.8964 -27.5883 -27.4409 -27.0880 -26.5765 -25.7024 -25.0392 -24.5535 -24.1510 -23.9919 -23.6507 -23.5816 -23.0071 -22.1046 -21.5506 -21.3652 -21.0185 -20.7270 -20.3487 -20.2806 -19.7196 -19.4763 -19.4273 -19.2418 -19.0780 -18.4920 -18.4582 -18.1788 -17.9161 -17.4503 -17.3545 -16.9108 -16.7408 -16.6600 -16.4767 -16.1264 -16.0927 -16.0654 -15.8134 -15.7396 -15.6473 -15.4603 -15.2389 -15.0617 -15.0164 -14.9835 -14.9732 -14.8605 -14.6810 -14.6109 -14.5169 -14.4478 -14.3839 -14.2742 -14.1601 -14.1108 -14.0524 -13.8894 -13.8017 -13.6177 -13.4724 -13.3343 -13.3212 -13.1628 -13.1332 -13.0430 -12.7461 -12.7356 -12.5932 -12.3657 -12.1193 -12.1112 -11.7546 -11.7151 -11.6644 -11.5426 -11.1912 -10.6944 -10.5740 -10.1298 -9.6722 -9.5102 -9.4635 -9.3894 -8.8509 -8.7354 0.1726 0.8866 1.0590 1.4996 2.1882 2.2540 2.5113 3.2425 3.3489 3.4274 3.5946 3.6185 3.9545 4.1640 4.2722 4.3088 4.3742 4.5525 4.5873 4.7385 4.8915 4.9254 4.9844 5.0287 5.1891 5.2925 5.4288 5.5479 5.6086 5.7193 5.7952 5.9181 6.0230 6.0928 6.1290 6.2763 6.4236 6.4857 6.5626 6.6121 6.6897 6.8580 6.9152 7.0960 7.2167 7.2357 7.4419 7.4466 7.5650 7.6773 7.7196 7.7759 7.9086 7.9316 8.0015 8.1660 8.2842 8.3417 8.3844 8.4683 8.5674 8.7051 8.8038 8.8303 8.9832 8.9923 9.0504 9.1890 9.1907 9.2917 9.3610 9.5106 9.5902 9.6272 9.6701 9.7215 9.7600 10.0004 10.1102 10.2093 10.2647 10.3017 10.3939 10.5755 10.6386 10.7981 10.8369 10.8949 10.9588 11.0631 11.1956 11.2512 11.4005 11.4622 11.4863 11.6203 11.6817 11.7142 11.8036 11.8935 11.9822 12.0263 12.1204 12.1787 12.2564 12.4322 12.4809 12.6180 12.6384 12.6952 12.7430 12.8978 13.0166 13.0696 13.1670 13.2331 13.3330 13.4314 13.5059 13.5402 13.5922 13.7376 13.7530 13.8190 13.9202 13.9946 14.0629 14.1589 14.2886 14.3236 14.3444 14.4268 14.5235 14.6585 14.7074 14.7296 14.7936 14.8727 14.9371 15.0328 15.1259 15.2053 15.2450 15.4118 15.5191 15.5540 15.5963 15.7148 15.8503 15.9253 15.9797 16.0895 16.2259 16.3179 16.3937 16.5056 16.7309 16.9245 17.0006 17.0504 17.1230 17.1746 17.2456 17.3524 17.4360 17.4749 17.6099 17.7728 17.7799 17.8869 18.0629 18.1140 18.2019 18.2822 18.4225 18.5498 18.6859 18.8998 18.9292 19.1051 19.1553 19.2415 19.3526 19.4460 19.6493 19.6570 19.7591 19.9136 20.1809 20.2780 20.3324 20.4744 20.4914 20.6864 20.8450 20.8770 20.9655 21.0614 21.1390 21.1910 21.3959 21.4773 21.6005 21.7601 21.7871 21.8620 22.0501 22.0974 22.1816 22.2812 22.3591 22.4425 22.5201 22.7142 22.7985 22.8529 23.0694 23.1480 23.2702 23.3599 23.4317 23.4481 23.6230 23.7004 23.8571 23.9379 24.0113 24.1689 24.3599 24.4701 24.5796 24.7232 24.7661 24.9641 25.0303 25.0958 25.2278 25.2693 25.5649 25.6957 25.8591 25.9315 26.0183 26.1058 26.2204 26.3551 26.4481 26.5321 26.6574 26.7436 26.9187 26.9362 27.1640 27.2421 27.3289 27.5504 27.6116 27.6720 27.8699 27.9489 28.0827 28.2175 28.3183 28.5426 28.5808 28.6444 28.7473 28.7691 28.9609 29.1180 29.1605 29.2765 29.3865 29.4478 29.5687 29.7745 29.8012 29.8181 30.0943 30.1203 30.2029 30.2700 30.3712 30.5428 30.6702 30.7598 30.8286 31.0133 31.1154 31.3044 31.3744 31.5364 31.7935 31.8461 31.9780 32.0931 32.1788 32.2381 32.3943 32.5460 32.6975 32.7904 32.8440 33.0437 33.0503 33.2814 33.3542 33.4538 33.6709 33.8201 33.9743 34.1206 34.1502 34.2959 34.3048 34.5312 34.7423 34.8255 34.9225 35.0513 35.1856 35.3406 35.3477 35.4652 35.5433 35.6481 35.8486 35.9198 36.0034 36.0651 36.3227 36.5566 36.6398 36.7212 36.8696 36.9792 37.1200 37.2020 37.3063 37.5806 37.6964 37.8521 38.0207 38.2087 38.2623 38.3324 38.6085 38.6603 38.7709 38.9317 39.0146 39.1046 39.2023 39.2608 39.4184 39.5603 39.6936 39.8397 39.9922 40.0828 40.1489 40.3031 40.4115 40.4968 40.6437 40.8720 40.9380 41.0962 41.2897 41.4017 41.5461 41.6119 41.7628 41.9052 42.0481 42.0728 42.2921 42.3812 42.4760 42.5891 42.7647 42.9108 42.9624 43.1053 43.1887 43.2499 43.3809 43.3945 43.7896 43.8336 43.8963 44.0282 44.1463 44.2137 44.4690 44.7355 44.8088 44.9632 44.9705 45.1191 45.3733 45.3993 45.5660 45.6180 45.7991 46.0935 46.1567 46.1784 46.2704 46.2928 46.4167 46.7156 46.9076 47.1529 47.1828 47.3354 47.6115 47.6352 47.7171 47.8057 47.9674 48.2240 48.2801 48.3092 48.5620 48.7400 49.0044 49.1214 49.2422 49.2869 49.4807 49.6231 49.8357 49.9284 50.1271 50.3281 50.4279 50.5511 50.7209 50.8422 50.9664 51.1486 51.2442 51.4407 51.7222 51.7732 51.8607 52.0753 52.1819 52.2762 52.4578 52.5268 52.6413 52.6855 52.8808 53.2624 53.3629 53.4937 53.5832 53.5964 53.9182 54.1834 54.4512 54.5338 54.6600 54.7944 54.9094 55.0951 55.3396 55.4776 55.7816 56.0007 56.2558 56.4239 56.5384 56.6009 56.8187 56.9511 57.1022 57.1821 57.3613 57.4712 57.5767 57.6749 57.9403 58.0667 58.0981 58.2430 58.4285 58.5583 58.6346 58.8893 58.9511 59.1296 59.1672 59.2645 59.4149 59.4499 59.5815 59.7822 59.8376 59.9797 60.1104 60.2814 60.3900 60.5514 60.6112 60.9404 61.0997 61.3776 61.4277 61.6245 61.8659 62.0159 62.1534 62.2901 62.4907 62.7030 62.8917 63.0181 63.1912 63.2610 63.4129 63.5724 63.7410 63.8361 63.9804 64.0712 64.2872 64.4292 64.5461 64.7756 64.9168 64.9898 65.1866 65.1956 65.3558 65.5179 65.7701 65.9997 66.1827 66.2188 66.4625 66.5970 66.6541 66.7933 66.9947 67.0875 67.2917 67.4341 67.5177 67.6454 67.8724 68.0286 68.4179 68.4975 68.7362 68.8650 69.1156 69.4874 69.6544 69.8078 70.1494 70.2276 70.3856 70.7526 70.9623 71.0609 71.1263 71.3858 71.5106 71.6332 71.8671 72.0287 72.3089 72.3423 72.4079 72.7572 72.9303 72.9616 73.0671 73.4907 73.9015 74.0087 74.1930 74.3689 74.6126 74.6718 74.8337 75.1234 75.2722 75.3843 75.5885 75.6693 75.8116 76.0466 76.1821 76.3036 76.3653 76.4381 76.6795 76.8622 77.1910 77.4424 77.4820 77.7100 77.8814 77.9198 78.1236 78.2946 78.3175 78.5492 78.5861 78.7295 79.0657 79.1036 79.2658 79.4033 79.4735 79.5616 79.7169 79.8337 79.9591 80.2337 80.4144 80.5140 80.6523 80.7615 80.7878 80.9168 81.0724 81.1490 81.2399 81.3330 81.3644 81.5031 81.6395 81.7869 81.9477 82.0617 82.1115 82.1489 82.2432 82.4871 82.5272 82.7032 82.7754 82.8423 82.9387 83.1297 83.2216 83.3588 83.4549 83.4784 83.6791 83.8251 83.8797 84.0293 84.1953 84.3160 84.3505 84.5213 84.5529 84.7538 84.8603 84.8721 85.0462 85.1898 85.2548 85.3335 85.5835 85.7619 85.8885 85.9158 85.9880 86.0485 86.2580 86.3054 86.4638 86.5480 86.6268 87.0307 87.1150 87.2350 87.3892 87.4152 87.4565 87.5656 87.6550 87.7932 87.8863 87.9799 88.0021 88.0704 88.2558 88.3812 88.6419 88.6898 88.8221 88.8943 88.9376 88.9681 89.0621 89.2123 89.3049 89.4317 89.5462 89.6666 89.7663 89.8820 90.0162 90.0738 90.1956 90.4338 90.4931 90.6144 90.7215 90.8065 90.8603 90.9708 91.1172 91.1455 91.2202 91.2460 91.3936 91.6600 91.7855 91.9280 92.0193 92.1689 92.1815 92.2851 92.3565 92.4088 92.6401 92.9667 93.2792 93.4262 93.4633 93.6680 93.7980 93.8794 94.0903 94.1547 94.2640 94.5188 94.6827 94.6958 94.8500 94.9465 95.1312 95.1737 95.3365 95.3750 95.5055 95.8186 95.8750 96.0478 96.0988 96.3058 96.3727 96.5644 96.7626 96.9433 96.9608 97.0184 97.1708 97.4333 97.5718 97.6850 97.7223 97.8092 98.0077 98.0985 98.1973 98.2668 98.3842 98.4455 98.6304 98.6424 98.6916 98.9710 99.0714 99.1877 99.2353 99.4142 99.7471 99.8242 99.8731 99.9733 100.2233 100.5882 100.6903 100.7706 100.9714 101.0766 101.1598 101.3141 101.5776 101.6009 101.7028 101.7460 101.9057 101.9585 102.1715 102.3204 102.3589 102.4212 102.6321 102.6696 102.9053 103.1426 103.2508 103.2643 103.4935 103.6129 103.8083 103.8444 104.0436 104.2651 104.4040 104.5433 104.7042 104.7900 104.8406 105.0203 105.0590 105.2620 105.5233 105.5840 105.6436 105.6645 106.1326 106.2062 106.2567 106.5346 106.6012 106.7957 106.9517 107.0230 107.2017 107.4210 107.4640 107.5742 107.8354 107.8784 108.1238 108.4243 108.5153 108.6586 108.8637 109.0099 109.1131 109.1580 109.3913 109.5160 109.5524 109.8002 109.8670 110.1124 110.1461 110.3893 110.4530 110.5553 110.9302 111.0164 111.0797 111.1047 111.1810 111.3733 111.4833 111.6394 111.7553 111.8859 111.9955 112.0772 112.2221 112.5701 112.5789 112.5909 112.8241 112.9511 113.0909 113.2086 113.2980 113.4703 113.6255 113.7427 113.9446 113.9911 114.0927 114.4610 114.5157 114.6744 114.8039 114.9666 115.2614 115.3454 115.4332 115.6286 115.7142 115.8660 116.0472 116.1785 116.2667 116.5504 116.6854 116.7483 116.9270 117.0841 117.1770 117.3053 117.5173 117.5704 117.6895 117.7310 117.9954 118.1448 118.1689 118.2533 118.3724 118.5214 118.6354 118.7147 118.7689 119.0069 119.1997 119.3059 119.4500 119.6839 119.9251 119.9452 120.0293 120.0924 120.5450 120.6609 120.7622 120.8558 121.0090 121.2871 121.4238 121.6844 121.8907 122.0413 122.3050 122.4133 122.7044 122.8561 123.0397 123.4549 123.5334 123.8768 124.2325 124.2579 124.4119 124.6875 124.7916 125.0461 125.4561 125.7150 125.7899 126.0318 126.1165 126.2672 126.4698 126.6507 126.7960 127.5275 127.5929 127.8016 127.8316 128.0230 128.3886 128.6500 128.7785 129.2700 129.6780 129.8622 129.9397 130.1959 130.3698 130.6713 130.9095 131.0267 131.4617 131.5481 131.7483 131.8607 132.1515 132.4377 132.5218 132.8560 133.0576 133.1753 133.5336 133.7982 133.9776 134.0836 134.3929 134.4406 134.5758 134.8450 134.9283 135.0031 135.0753 135.2252 135.6989 135.8476 136.0793 136.1682 136.3824 136.5149 136.6622 137.1728 137.2597 137.5310 137.7033 137.8611 137.8907 138.0039 138.2893 138.5002 138.9432 139.5016 139.6927 140.1649 140.2368 140.4484 140.7411 140.9709 141.2147 141.5275 141.8213 142.0788 142.1601 142.6276 142.8762 143.0133 143.0566 143.3996 143.6574 143.9503 143.9982 144.1460 144.6594 144.7337 145.0359 145.2495 145.3932 145.9200 146.0240 146.2274 146.3629 146.7149 146.9279 147.0343 147.3389 147.5402 147.7193 147.8475 148.1235 148.4005 148.4434 148.6451 148.8136 148.9259 149.0556 149.1124 149.4299 149.8439 150.0087 150.1930 150.2754 150.5128 150.6532 150.8269 150.9013 151.2022 151.2574 151.6206 151.7036 152.0695 152.3613 152.5752 152.9399 153.1895 153.3820 153.6082 153.7038 153.8796 154.3141 154.4990 155.1479 155.1918 155.4607 155.7657 156.0769 156.1575 156.2993 156.3841 156.7367 157.0638 157.4543 157.9132 158.1283 158.4070 158.6055 158.6926 159.0573 159.2762 159.5353 159.7140 160.1755 160.4925 160.6838 161.4040 162.0044 162.8092 163.1326 163.3436 164.2566 164.6222 165.1589 166.5019 166.6522 167.0247 167.5792 168.1003 168.3927 169.6135 171.8843 172.0935 172.4869 172.7011 174.6867 177.0651 178.0827 178.8003 178.9677 179.2985 180.7830 181.3921 181.8776 184.5885 185.2829 186.2017 187.2446 187.4822 187.9767 188.4528 188.5259 188.6893 188.8912 188.9390 189.0032 189.0738 189.2831 189.3132 189.3366 189.4926 189.6725 189.9348 190.3349 191.8602 191.9068 192.3956 192.5214 192.6411 193.7724 194.3014 194.3216 194.9958 195.0981 195.2104 196.1424 196.5849 197.0211 197.4343 199.4360 199.7786 202.5801 202.6571 203.3364 203.6855 204.0596 205.4820 207.1279 209.7589 209.8569 210.7834 213.7922 214.9038 221.2305 221.3917 222.6852 223.0012 223.2720 223.4857 227.1829 227.3182 228.7746 228.9817 229.0603 229.2340 229.3386 229.6015 233.3313 233.7530 235.6548 236.0520 239.1614 240.8286 241.5701 241.7672 244.5310 245.7925 247.3187 247.3363 247.4412 247.5626 251.0781 251.2625 294.6252 294.6764 297.0638 297.9711 311.8120 312.7815 609.5837 620.2857 622.5318 624.0674 625.4779 629.1075 630.9235 631.7206 633.5404 634.2185 635.9031 636.0957 636.8132 637.5386 640.4504 641.3893 643.5410 644.1433 644.8422 646.5812 648.3931 649.1461 659.3981 714.0175 716.1106 881.1126 896.2176 902.8457 1199.9673 1201.8193 1208.5702 1215.6539 1561.3869 1562.6593 1563.1445 1564.2658 -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 -0.055506 -0.054363 -0.174364 -0.172582 -0.168789 -0.184385 -0.236694 -0.285585 -0.516057 -0.507432 -0.123615 -0.194226 0.040553 0.254236 -0.078437 0.204211 -0.035214 0.478022 -0.076032 0.148084 -0.173553 -0.153959 -0.010336 -0.119289 0.072374 -0.081244 -0.177663 0.231663 -0.188023 0.377753 0.036474 0.028743 -0.003262 0.197314 -0.269940 -0.252809 0.123028 0.120716 0.113598 0.139049 0.129956 0.101767 0.107993 0.128454 0.145052 0.181674 0.144331 0.104995 0.091636 0.107392 0.099939 0.110630 0.097716 0.087820 0.088186 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 17.0555 17.0544 9.1744 9.1726 9.1688 9.1844 8.2367 8.2856 8.5161 8.5074 7.1236 7.1942 6.9594 5.7458 6.0784 5.7958 6.0352 5.5220 6.0760 5.8519 6.1736 6.1540 6.0103 6.1193 5.9276 6.0812 6.1777 5.7683 6.1880 5.6222 5.9635 5.9713 6.0033 5.8027 6.2699 6.2528 0.8770 0.8793 0.8864 0.8610 0.8700 0.8982 0.8920 0.8715 0.8549 0.8183 0.8557 0.8950 0.9084 0.8926 0.9001 0.8894 0.9023 0.9122 0.9118 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 -0.0555 -0.0544 -0.1744 -0.1726 -0.1688 -0.1844 -0.2367 -0.2856 -0.5161 -0.5074 -0.1236 -0.1942 0.0406 0.2542 -0.0784 0.2042 -0.0352 0.4780 -0.0760 0.1481 -0.1736 -0.1540 -0.0103 -0.1193 0.0724 -0.0812 -0.1777 0.2317 -0.1880 0.3778 0.0365 0.0287 -0.0033 0.1973 -0.2699 -0.2528 0.1230 0.1207 0.1136 0.1390 0.1300 0.1018 0.1080 0.1285 0.1451 0.1817 0.1443 0.1050 0.0916 0.1074 0.0999 0.1106 0.0977 0.0878 0.0882 1.2447 1.2477 1.1372 1.1427 1.1448 1.1342 1.9948 1.8818 1.9979 1.9911 2.9947 3.2376 3.1566 3.8835 3.9295 3.8328 3.8409 4.4808 3.8099 3.7695 4.0765 4.0845 3.9791 3.9541 3.5983 3.8607 3.9657 4.2770 4.0433 4.1177 3.8704 3.8854 3.8718 4.1560 3.9512 3.9218 1.0080 1.0215 1.0097 1.0217 1.0414 1.0112 0.9924 1.0354 1.0044 1.0013 1.0146 0.9992 1.0192 0.9917 1.0058 1.0083 1.0077 1.0074 1.0083 1.2447 1.2477 1.1372 1.1427 1.1448 1.1342 1.9948 1.8818 1.9979 1.9911 2.9947 3.2376 3.1566 3.8835 3.9295 3.8328 3.8409 4.4808 3.8099 3.7695 4.0765 4.0845 3.9791 3.9541 3.5983 3.8607 3.9657 4.2770 4.0433 4.1177 3.8704 3.8854 3.8718 4.1560 3.9512 3.9218 1.0080 1.0215 1.0097 1.0217 1.0414 1.0112 0.9924 1.0354 1.0044 1.0013 1.0146 0.9992 1.0192 0.9917 1.0058 1.0083 1.0077 1.0074 1.0083 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.0698 1.0786 1.1208 1.1349 1.1367 1.1484 0.9176 0.9319 0.8309 0.9526 1.8588 1.8077 1.9135 0.9413 1.2770 0.9621 1.3523 0.8995 0.9343 0.9268 0.9576 0.9577 0.9961 0.9868 0.9730 1.4152 1.4009 1.4075 1.3751 0.9450 0.9183 0.9625 1.4321 0.9444 1.4290 0.9429 1.0037 0.9674 1.4915 0.9478 1.3406 1.3925 0.9240 0.9529 1.4912 0.9727 0.9790 1.3655 1.3648 0.9431 0.9799 0.9853 0.9767 0.9945 0.9926 0.9911 0.9896 0.9895 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 -0.030270791 -2673.035421236949 106.70895 -105.62000 1.08894 -12.19493 9.86403 -2.33090 1.31919 0.25128 1.57047 3.01417 7.66142