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 Cl F F F O O O 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 H H H H H H H H H H H H H H H H H 1 2 2 2 3 3 3 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 510.6995095999997 AuxInfo=1/0/N:27,35,25,30,31,32,33,23,22,16,21,18,24,28,34,19,17,20,26,29,15,36,1,2,3,4,12,13,14,7,8,10,6,9,5,11/E:(4,5)(6,7)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,27.2,30.1,31.1,32.1/rA:53nClFFFOOO1O1OO1ON2NNCCC3C3C3C3CC3C3C3C3C3CC3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s12;;s5;s15;s12s15;s16;s17s18;s6s7s15;s5s13;s18;s19;s1s22;s23s24;s8s13s14;s6;s14;s9s10s14;s28;s28;s30;s31;s11s32s33;s9;s2s3s4s11;s16;s16;s21;s21;s22;s23;s25;s27;s27;s27;s30;s31;s32;s33;s35;s35;s35;/rC:-4.3383,-4.1512,4.2448;-.3625,6.8074,-.8866;.3892,7.9366,-2.5605;1.7379,7.1966,-1.0541;1.3949,-3.6432,-.6313;-1.1633,-3.0526,-2.2261;-1.0976,-5.2326,-1.7489;2.9168,-.0557,-1.7099;2.0842,-.231,1.8266;.795,1.6042,1.9522;.779,5.8218,-2.5204;.2462,-1.258,.1017;1.3342,-1.2888,-.6926;1.7033,.9349,-.0348;.0371,-3.6797,-.275;-.2577,-4.6239,.8988;-.3817,-2.3439,.2746;-1.4042,-3.9253,1.5894;-1.442,-2.5751,1.2392;-.8182,-4.0992,-1.488;1.7457,-2.5079,-1.3771;-2.2966,-4.4296,2.5157;-2.3423,-1.7013,1.8258;-3.21,-3.5514,3.0861;-3.2377,-2.1998,2.7569;2.0683,-.141,-.8602;-1.91,-3.3208,-3.4121;1.4758,2.192,-.6641;1.4445,.8191,1.324;.1752,2.5976,-.9233;2.5452,2.9932,-1.0289;-.0615,3.8189,-1.5291;2.3166,4.2151,-1.6411;1.0143,4.6182,-1.8759;1.7335,-.6028,3.1512;.6401,6.9179,-1.7578;-.4762,-5.6424,.5831;.6135,-4.6515,1.5591;2.829,-2.5073,-1.4678;1.3151,-2.5293,-2.383;-2.287,-5.4729,2.8016;-2.3486,-.6521,1.5618;-3.9596,-1.5477,3.2282;-2.0952,-2.3549,-3.872;-1.3501,-3.9545,-4.0993;-2.8579,-3.8047,-3.1794;-.6508,1.9583,-.6439;3.5552,2.6616,-.835;-1.0715,4.1422,-1.74;3.1451,4.8426,-1.9391;1.9482,.1928,3.8641;.6775,-.8682,3.2206;2.3396,-1.4735,3.3859; 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 1953 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 270 Dim 1365 ENuc 4179.4050185664 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 5.680e-06 Time for diagonalization 0.441 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.455 sec Total time needed 0.909 sec 17 9 9 9 8 8 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 510.6995095999997 AuxInfo=1/0/N:27,35,25,30,31,32,33,23,22,16,21,18,24,28,34,19,17,20,26,29,15,36,1,2,3,4,12,13,14,7,8,10,6,9,5,11/E:(4,5)(6,7)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,27.2,30.1,31.1,32.1/rA:53nClFFFOOO1O1OO1ON2NNCCC3C3C3C3CC3C3C3C3C3CC3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s12;;s5;s15;s12s15;s16;s17s18;s6s7s15;s5s13;s18;s19;s1s22;s23s24;s8s13s14;s6;s14;s9s10s14;s28;s28;s30;s31;s11s32s33;s9;s2s3s4s11;s16;s16;s21;s21;s22;s23;s25;s27;s27;s27;s30;s31;s32;s33;s35;s35;s35;/rC:-4.3383,-4.1512,4.2448;-.3625,6.8074,-.8866;.3892,7.9366,-2.5605;1.7379,7.1966,-1.0541;1.3949,-3.6432,-.6313;-1.1633,-3.0526,-2.2261;-1.0976,-5.2326,-1.7489;2.9168,-.0557,-1.7099;2.0842,-.231,1.8266;.795,1.6042,1.9522;.779,5.8218,-2.5204;.2462,-1.258,.1017;1.3342,-1.2888,-.6926;1.7033,.9349,-.0348;.0371,-3.6797,-.275;-.2577,-4.6239,.8988;-.3817,-2.3439,.2745;-1.4042,-3.9253,1.5894;-1.442,-2.5751,1.2392;-.8182,-4.0992,-1.488;1.7457,-2.5079,-1.3771;-2.2966,-4.4296,2.5157;-2.3423,-1.7013,1.8258;-3.21,-3.5514,3.0861;-3.2377,-2.1998,2.7569;2.0683,-.141,-.8602;-1.91,-3.3208,-3.4121;1.4758,2.192,-.6641;1.4445,.8191,1.324;.1752,2.5976,-.9233;2.5452,2.9932,-1.0289;-.0615,3.8189,-1.5291;2.3166,4.2151,-1.6411;1.0143,4.6182,-1.8759;1.7335,-.6028,3.1512;.6401,6.9179,-1.7578;-.4762,-5.6424,.5831;.6135,-4.6515,1.5591;2.829,-2.5073,-1.4678;1.3151,-2.5293,-2.383;-2.287,-5.4729,2.8016;-2.3486,-.6521,1.5618;-3.9596,-1.5477,3.2282;-2.0952,-2.3549,-3.872;-1.3501,-3.9545,-4.0993;-2.8579,-3.8047,-3.1794;-.6508,1.9583,-.6439;3.5552,2.6616,-.835;-1.0715,4.1422,-1.74;3.1451,4.8426,-1.9391;1.9482,.1928,3.8641;.6775,-.8682,3.2206;2.3396,-1.4735,3.3859; 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 4 510.6995095999997 AuxInfo=1/0/N:27,35,25,30,31,32,33,23,22,16,21,18,24,28,34,19,17,20,26,29,15,36,1,2,3,4,12,13,14,7,8,10,6,9,5,11/E:(4,5)(6,7)(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,27.2,30.1,31.1,32.1/rA:53nClFFFOOO1O1OO1ON2NNCCC3C3C3C3CC3C3C3C3C3CC3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s12;;s5;s15;s12s15;s16;s17s18;s6s7s15;s5s13;s18;s19;s1s22;s23s24;s8s13s14;s6;s14;s9s10s14;s28;s28;s30;s31;s11s32s33;s9;s2s3s4s11;s16;s16;s21;s21;s22;s23;s25;s27;s27;s27;s30;s31;s32;s33;s35;s35;s35;/rC:-4.3383,-4.1512,4.2448;-.3625,6.8074,-.8866;.3892,7.9366,-2.5605;1.7379,7.1966,-1.0541;1.3949,-3.6432,-.6313;-1.1633,-3.0526,-2.2261;-1.0976,-5.2326,-1.7489;2.9168,-.0557,-1.7099;2.0842,-.231,1.8266;.795,1.6042,1.9522;.779,5.8218,-2.5204;.2462,-1.258,.1017;1.3342,-1.2888,-.6926;1.7033,.9349,-.0348;.0371,-3.6797,-.275;-.2577,-4.6239,.8988;-.3817,-2.3439,.2746;-1.4042,-3.9253,1.5894;-1.442,-2.5751,1.2392;-.8182,-4.0992,-1.488;1.7457,-2.5079,-1.3771;-2.2966,-4.4296,2.5157;-2.3423,-1.7013,1.8258;-3.21,-3.5514,3.0861;-3.2377,-2.1998,2.7569;2.0683,-.141,-.8602;-1.91,-3.3208,-3.4121;1.4758,2.192,-.6641;1.4445,.8191,1.324;.1752,2.5976,-.9233;2.5452,2.9932,-1.0289;-.0615,3.8189,-1.5291;2.3166,4.2151,-1.6411;1.0143,4.6182,-1.8759;1.7335,-.6028,3.1512;.6401,6.9179,-1.7578;-.4762,-5.6424,.5831;.6135,-4.6515,1.5591;2.829,-2.5073,-1.4678;1.3151,-2.5293,-2.383;-2.287,-5.4729,2.8016;-2.3486,-.6521,1.5618;-3.9596,-1.5477,3.2282;-2.0952,-2.3549,-3.872;-1.3501,-3.9545,-4.0993;-2.8579,-3.8047,-3.1794;-.6508,1.9583,-.6439;3.5552,2.6616,-.835;-1.0715,4.1422,-1.74;3.1451,4.8426,-1.9391;1.9482,.1928,3.8641;.6775,-.8682,3.2206;2.3396,-1.4735,3.3859; -2299.35531505 4179.40501857 -6478.76033362 -11472.41806284 4993.65772923 -4591.16266671 2291.80735166 2.00329345 134.999967271619 134.999967271619 269.999934543238 -187.215223753910 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.5547 -675.5635 -675.4949 -675.4871 -525.4984 -525.1794 -524.8595 -524.8043 -523.7103 -523.0829 -522.9161 -394.8392 -394.1778 -393.8715 -287.8758 -284.1045 -283.9090 -283.8804 -282.6802 -282.5877 -282.0468 -281.9258 -281.6865 -281.5535 -281.2975 -281.2286 -280.8858 -280.6468 -280.6291 -280.6223 -280.5893 -280.5492 -280.2556 -280.2330 -280.2324 -280.2163 -260.8270 -199.6633 -199.4269 -199.4170 -39.7191 -37.0105 -36.8719 -34.4485 -34.1364 -33.5579 -33.5508 -32.7176 -31.8112 -31.4032 -31.3010 -29.4659 -28.6004 -27.8309 -27.1067 -26.6374 -25.7637 -24.5805 -24.4420 -24.1925 -24.1761 -23.7873 -23.3609 -22.8027 -22.1924 -22.0315 -21.0967 -20.7922 -20.5565 -20.4233 -20.1577 -19.7015 -19.6398 -19.5395 -19.2632 -19.0589 -18.6633 -18.6205 -18.4207 -17.8024 -17.5274 -17.2267 -16.9776 -16.8110 -16.7212 -16.4981 -16.4059 -16.2463 -16.0183 -15.9467 -15.8835 -15.8328 -15.7307 -15.5637 -15.4317 -15.2440 -15.2142 -15.1815 -15.0759 -14.9409 -14.8361 -14.6974 -14.5835 -14.5741 -14.3391 -14.2697 -14.2199 -14.2141 -13.9304 -13.8716 -13.6849 -13.4377 -13.3933 -13.2585 -13.2002 -13.1157 -13.0007 -12.8720 -12.7120 -12.2786 -11.9470 -11.8878 -11.7003 -11.4883 -11.3344 -11.1974 -11.0567 -10.7077 -10.3675 -10.2204 -10.0381 -10.0174 -9.7929 -9.5478 -8.6893 -0.1182 0.8487 1.2308 1.2903 1.6729 1.9791 2.4059 2.7494 2.8067 3.0992 3.3306 3.6331 3.8025 3.8438 3.9941 4.0872 4.2456 4.4016 4.4318 4.5038 4.6101 4.6935 4.8435 4.8774 4.9752 5.1207 5.1574 5.3330 5.4580 5.5710 5.6047 5.7237 5.8907 5.9232 6.0453 6.1520 6.2014 6.2908 6.5096 6.5823 6.7463 6.7764 6.8869 7.0180 7.1261 7.2633 7.3379 7.5496 7.6832 7.7980 7.8322 7.8665 7.9156 8.0687 8.1961 8.2080 8.2705 8.4314 8.4673 8.4973 8.5692 8.6219 8.7538 8.9073 8.9888 9.0690 9.1512 9.2297 9.2732 9.3282 9.4566 9.5456 9.5861 9.6564 9.7393 9.9141 10.0447 10.1710 10.2696 10.2910 10.3126 10.4406 10.6866 10.7135 10.8452 10.8904 10.9896 11.0647 11.1204 11.2063 11.2421 11.2991 11.4888 11.5878 11.6242 11.7441 11.8425 11.9535 12.0395 12.0802 12.1052 12.1890 12.2251 12.3054 12.5039 12.5493 12.6278 12.7307 12.7876 12.8615 12.9352 13.0567 13.2043 13.2905 13.3580 13.4248 13.4483 13.6013 13.6782 13.7852 13.8713 13.9539 13.9850 14.0634 14.1302 14.2313 14.2491 14.3920 14.4321 14.5384 14.6196 14.7117 14.7468 14.8355 14.8801 14.9726 15.0319 15.2846 15.3880 15.4483 15.5812 15.6051 15.8058 15.9304 15.9524 16.1279 16.1644 16.4848 16.5195 16.5829 16.6920 16.7181 16.8354 16.8822 16.9510 17.1153 17.2540 17.4374 17.4593 17.6063 17.6464 17.6869 17.8328 18.0166 18.0374 18.1486 18.2537 18.4364 18.5362 18.6741 18.7482 18.9044 18.9283 18.9484 19.0855 19.4554 19.4664 19.6113 19.7093 19.8269 19.9554 20.1527 20.1966 20.2255 20.3485 20.4647 20.6901 20.7236 20.7398 20.8752 20.9304 21.0903 21.1919 21.2923 21.3829 21.4958 21.6316 21.7721 21.8184 21.9250 22.0249 22.2496 22.3360 22.4221 22.5439 22.6227 22.8050 22.9218 23.0064 23.1238 23.3175 23.3393 23.4415 23.5659 23.6642 23.8321 23.8987 24.0371 24.1294 24.2204 24.4180 24.5004 24.5663 24.7767 24.8740 25.0288 25.1491 25.3522 25.3888 25.4120 25.5519 25.6398 25.6916 25.7685 25.7854 25.9099 25.9569 26.1754 26.2735 26.3925 26.4162 26.5226 26.6096 26.7504 26.8581 27.0222 27.1289 27.2691 27.3121 27.3364 27.4083 27.5988 27.7235 27.8250 27.9138 28.0753 28.4849 28.5316 28.6226 28.6849 28.7534 28.8625 28.9417 29.1021 29.1720 29.2256 29.3966 29.4489 29.6085 29.6923 29.8254 29.9807 29.9993 30.1489 30.2450 30.2818 30.3875 30.6136 30.6306 30.7645 30.8246 31.1105 31.1609 31.2243 31.3928 31.6355 31.7208 31.9257 32.0082 32.1591 32.3469 32.4221 32.5177 32.6690 32.7622 32.8572 33.1316 33.2209 33.3597 33.5440 33.6253 33.8303 33.8800 34.0109 34.0827 34.0946 34.3734 34.5738 34.6255 34.8215 34.9960 35.0187 35.2717 35.3448 35.4452 35.4933 35.6361 35.7752 35.8837 35.9374 36.2930 36.3131 36.4511 36.6322 36.6754 36.7654 37.0477 37.3001 37.3997 37.6171 37.7198 37.8380 37.8901 37.9970 38.1171 38.2501 38.3480 38.4960 38.5926 38.7554 39.0214 39.0882 39.3422 39.3598 39.5628 39.5871 39.6913 39.7919 39.9109 40.0883 40.3387 40.4226 40.5806 40.6271 40.6931 41.0650 41.1628 41.3672 41.4594 41.5760 41.7036 41.9223 42.0147 42.0510 42.1581 42.3882 42.5752 42.6181 42.7026 42.8362 42.9339 43.0731 43.2652 43.3925 43.5446 43.6375 43.8003 43.9130 44.0788 44.1916 44.2572 44.4970 44.6877 44.8047 44.9468 45.0946 45.3683 45.4905 45.6042 45.6909 45.7084 45.9751 46.1223 46.3465 46.5173 46.5656 46.6256 46.9134 47.0222 47.0368 47.2143 47.3719 47.5580 47.7137 47.8518 47.9173 47.9822 48.1740 48.1872 48.2787 48.4722 48.7494 48.8233 48.9799 49.1139 49.1540 49.5825 49.8333 49.9417 50.0710 50.2139 50.4012 50.4565 50.7201 50.8438 51.0373 51.0464 51.1701 51.3840 51.6112 51.7344 51.9518 52.0299 52.1322 52.2408 52.3312 52.5021 52.7312 52.8451 52.9496 53.2545 53.4085 53.7044 54.0132 54.1387 54.2134 54.4358 54.4533 54.6286 54.8540 55.0556 55.2697 55.3189 55.5446 55.5803 55.7235 55.8674 56.2698 56.4977 56.6089 56.7174 56.8291 56.9715 57.0964 57.1545 57.3810 57.4191 57.6107 57.9091 57.9334 58.2333 58.3070 58.6803 58.7540 58.9773 59.0543 59.2250 59.3337 59.3912 59.5700 59.7212 59.9694 60.1306 60.2065 60.3767 60.4845 60.7335 60.9688 61.1145 61.4397 61.5047 61.7166 61.8687 62.0577 62.3073 62.4344 62.5513 62.7057 62.8593 63.1653 63.2891 63.3401 63.4789 63.7218 64.0737 64.1947 64.3107 64.5553 64.6179 64.6856 64.8673 64.9073 65.1359 65.1883 65.2419 65.4347 65.4871 65.7950 65.8422 66.0158 66.0715 66.3063 66.4264 66.6200 66.7329 66.8405 66.9554 67.0235 67.0677 67.3220 67.5544 67.6676 67.9131 67.9817 68.3560 68.5005 68.6454 69.0263 69.3488 69.5950 69.7537 70.0461 70.2897 70.4945 70.7022 71.0989 71.4634 71.6015 71.6994 71.9529 72.0230 72.2698 72.3824 72.6041 72.7419 72.8617 73.0799 73.2603 73.3160 73.4213 73.5686 73.9832 74.1424 74.6254 74.7740 74.8786 74.9942 75.1680 75.4268 75.5200 75.7002 75.8980 76.1789 76.2863 76.3800 76.4274 76.6680 76.8629 76.9834 77.2235 77.2556 77.4146 77.5873 77.6887 77.8637 77.9892 78.0471 78.1206 78.2198 78.4292 78.5376 78.6349 78.7054 78.9151 79.1012 79.1903 79.3307 79.4202 79.5807 79.6330 79.8085 80.0212 80.0745 80.1313 80.2881 80.5369 80.5583 80.6366 80.7850 81.0669 81.1601 81.3405 81.4963 81.6039 81.7613 81.9276 82.0974 82.1677 82.2183 82.3724 82.5267 82.6489 82.7612 82.8297 82.8669 83.0294 83.1890 83.2199 83.3833 83.5591 83.7003 83.7227 83.8936 84.0093 84.1771 84.2067 84.4619 84.5828 84.6883 84.8175 84.9175 84.9553 85.1069 85.1796 85.2391 85.3434 85.4407 85.5249 85.6701 85.8396 85.9325 86.0818 86.1899 86.2584 86.3669 86.4256 86.5495 86.8077 87.0571 87.1223 87.2614 87.3570 87.5012 87.6988 87.8759 87.9678 88.1594 88.2158 88.3065 88.3859 88.5492 88.5977 88.7330 88.9043 88.9968 89.0412 89.2099 89.3352 89.4754 89.5141 89.5772 89.7124 89.7566 89.7994 89.8773 90.0910 90.1204 90.2065 90.3012 90.4634 90.7371 90.8564 90.9494 91.0059 91.1317 91.2283 91.4105 91.4544 91.5786 91.7319 91.8042 91.8674 91.9511 92.0522 92.2076 92.3809 92.4838 92.5688 92.7047 92.7430 92.8032 92.9383 93.0701 93.2219 93.3271 93.3524 93.5444 93.6851 93.7752 94.0127 94.1043 94.2998 94.3924 94.5554 94.6605 94.8126 95.0365 95.1853 95.2870 95.5122 95.6433 95.7209 95.7581 96.1086 96.1473 96.3032 96.5398 96.5947 96.6851 96.7979 96.8393 96.9838 97.1599 97.1703 97.2619 97.3449 97.3791 97.4412 97.5985 97.7717 98.0959 98.1603 98.4641 98.5301 98.6111 98.6683 98.8005 98.8185 98.9342 99.1763 99.3468 99.3974 99.6231 99.6999 99.7691 99.9882 100.1791 100.4509 100.4970 100.5770 100.7898 100.9180 101.2536 101.2796 101.3407 101.6817 101.8448 101.8701 102.0820 102.1018 102.2865 102.3002 102.4693 102.5202 102.7938 102.8650 102.9697 103.1298 103.3187 103.4219 103.7078 104.0430 104.1051 104.2025 104.5303 104.6217 104.8006 104.9186 105.1402 105.2426 105.5377 105.5623 105.6572 105.6989 105.8432 105.9973 106.1905 106.2274 106.3704 106.5093 106.6643 106.8228 106.9159 106.9772 106.9943 107.1397 107.2970 107.5227 107.5848 107.6361 107.8455 108.0549 108.1594 108.2180 108.4661 108.5750 108.6071 108.8373 108.9187 109.0850 109.1146 109.2735 109.3575 109.4583 109.4651 109.7811 110.1202 110.3346 110.4332 110.5001 110.6136 110.8550 110.9776 111.2135 111.2817 111.3535 111.6344 111.7809 111.9393 112.0462 112.1435 112.4205 112.9013 113.0993 113.1377 113.2018 113.3491 113.4774 113.5979 113.6759 113.8661 114.1570 114.3838 114.4077 114.4909 114.6686 114.9188 115.0809 115.2123 115.4452 115.5750 115.8127 116.1698 116.2662 116.4013 116.7342 116.8146 116.8629 117.0424 117.4463 117.5370 117.5861 117.6519 117.9271 117.9543 118.0735 118.1960 118.2636 118.4660 118.5743 118.6660 118.8115 119.0180 119.2591 119.4387 119.5565 119.7959 119.9315 119.9755 120.1126 120.3538 120.4559 120.6455 120.9386 120.9779 121.1443 121.5517 121.7540 121.9445 121.9999 122.4432 122.6099 122.7488 122.8279 123.1806 123.2292 123.8249 123.9739 124.4711 124.8482 125.0157 125.4171 125.6971 125.7325 125.9123 125.9201 126.2454 126.3904 126.5919 126.8928 127.2461 127.4375 127.5196 127.6998 127.9077 128.1743 128.6838 128.7910 129.1106 129.2419 129.5534 130.0347 130.4715 131.0063 131.1368 131.3416 131.4159 131.6369 131.7598 131.8302 132.3299 132.4766 132.7540 132.9741 133.1236 133.1806 133.8313 134.0231 134.3077 134.6771 134.8666 135.0376 135.1347 135.3127 135.6494 135.9610 136.3340 136.6505 136.7857 136.9327 137.2610 137.5560 137.7217 137.8908 138.0621 138.2154 138.3139 138.4177 138.7509 138.9675 139.0653 139.5086 139.8745 140.3101 140.4466 140.6750 140.7858 141.0604 141.1939 141.2968 141.3860 141.6110 142.2261 142.3390 142.5329 142.7601 142.9845 143.1333 143.3206 143.3970 143.5864 143.7573 143.8559 144.0457 144.1402 144.2446 144.3856 144.4571 144.6221 144.7484 145.2769 145.5109 145.5677 145.7957 145.8362 146.3137 146.6784 146.8041 146.9957 147.1299 147.2082 147.3689 147.8452 147.9628 148.0604 148.2022 148.3400 148.5239 148.8613 148.9623 149.1561 149.5012 149.6330 150.0027 150.4842 150.6704 150.8261 151.2182 151.4007 151.6073 151.6567 152.4005 152.5606 152.7890 153.0054 153.1123 153.3882 153.8205 153.8830 153.9877 154.1333 154.4969 154.7395 154.8940 155.0068 155.4347 155.6109 155.6926 156.1879 156.5301 156.7398 156.8825 157.1305 157.3227 157.6519 158.0844 158.7020 158.9940 159.5135 159.8337 160.2408 160.7990 161.1748 161.3665 161.5512 162.5587 162.6334 163.0867 163.7959 163.8604 164.2936 164.4283 165.3298 165.9447 166.3350 167.4113 167.7995 168.2709 168.9276 169.1639 169.9173 170.2297 171.0446 171.1505 172.0589 172.4026 172.7006 172.8702 173.4082 173.7375 173.9971 174.8317 175.1076 175.9595 176.6705 176.9360 177.1646 177.5465 177.7359 178.1627 179.4316 179.9692 180.0591 180.9070 181.9657 183.3526 183.4755 185.3107 185.8084 185.9396 186.5175 186.6709 186.8429 187.0496 187.3851 188.0643 188.4645 188.5692 188.5923 188.7090 188.7632 188.9646 189.0027 189.1786 189.4002 190.3506 190.7533 191.0431 191.5563 192.1842 192.5345 192.7601 192.9323 192.9792 194.1319 194.3317 194.4851 194.9213 195.0517 195.0644 195.5326 195.9357 197.3272 197.5278 198.6685 198.9509 199.0690 199.8906 200.5165 202.3172 203.9787 204.7856 204.9960 205.9256 206.4564 206.8189 206.8554 207.6713 207.7623 209.7824 210.3725 221.4047 222.8349 223.2606 227.3528 228.2523 228.4557 228.5746 229.4489 232.4553 232.6822 235.1545 239.1299 241.2051 242.0449 243.8853 245.2109 246.8798 247.0485 249.5462 250.1899 294.7227 297.3751 312.5100 616.4653 621.4655 624.4006 626.2181 630.1048 632.1325 632.3595 633.6249 633.9706 635.2316 637.4935 637.8253 639.4409 640.7859 642.5219 643.4120 644.1245 645.5432 645.9803 647.0814 655.7349 656.6843 714.1429 890.3393 899.3188 905.6107 1198.9477 1200.0175 1200.3369 1207.4165 1208.4351 1208.9368 1213.0755 1555.6260 1556.0377 1560.1439 -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 Cl F F F O O O 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 H H H H H H H H H H H H H H H H H -0.063505 -0.167762 -0.155718 -0.168437 -0.313246 -0.253303 -0.328856 -0.369330 -0.286767 -0.359885 -0.295997 -0.218249 0.069011 -0.109550 0.441701 -0.095271 0.076602 -0.096790 -0.052967 0.217989 0.028835 -0.129810 -0.243451 0.101725 -0.094922 0.321272 -0.152712 0.138379 0.451113 -0.176652 -0.190139 -0.087220 -0.075450 0.174345 -0.134084 0.575412 0.112096 0.095413 0.121990 0.110766 0.121712 0.141715 0.125169 0.119676 0.116919 0.119890 0.119145 0.122507 0.124080 0.127142 0.125170 0.103639 0.116660 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 Cl F F F O O O 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 H H H H H H H H H H H H H H H H H 17.0635 9.1678 9.1557 9.1684 8.3132 8.2533 8.3289 8.3693 8.2868 8.3599 8.2960 7.2182 6.9310 7.1095 5.5583 6.0953 5.9234 6.0968 6.0530 5.7820 5.9712 6.1298 6.2435 5.8983 6.0949 5.6787 6.1527 5.8616 5.5489 6.1767 6.1901 6.0872 6.0755 5.8257 6.1341 5.4246 0.8879 0.9046 0.8780 0.8892 0.8783 0.8583 0.8748 0.8803 0.8831 0.8801 0.8809 0.8775 0.8759 0.8729 0.8748 0.8964 0.8833 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 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 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 -0.0635 -0.1678 -0.1557 -0.1684 -0.3132 -0.2533 -0.3289 -0.3693 -0.2868 -0.3599 -0.2960 -0.2182 0.0690 -0.1095 0.4417 -0.0953 0.0766 -0.0968 -0.0530 0.2180 0.0288 -0.1298 -0.2435 0.1017 -0.0949 0.3213 -0.1527 0.1384 0.4511 -0.1767 -0.1901 -0.0872 -0.0755 0.1743 -0.1341 0.5754 0.1121 0.0954 0.1220 0.1108 0.1217 0.1417 0.1252 0.1197 0.1169 0.1199 0.1191 0.1225 0.1241 0.1271 0.1252 0.1036 0.1167 1.2434 1.1348 1.1544 1.1347 2.0722 2.1406 2.1810 2.1469 2.0910 2.1565 2.1022 2.9388 3.0957 3.0231 3.9103 3.8414 3.8187 3.8920 3.6263 4.2753 4.0441 4.0393 4.0506 3.9493 3.9820 4.3405 3.8989 3.7135 4.3015 4.1013 4.1296 4.0130 4.0033 3.8636 3.8945 4.6315 1.0256 1.0229 1.0005 0.9934 1.0195 1.0144 1.0140 0.9946 0.9929 0.9937 1.0199 1.0258 1.0107 1.0099 0.9984 0.9895 0.9937 1.2434 1.1348 1.1544 1.1347 2.0722 2.1406 2.1810 2.1469 2.0910 2.1565 2.1022 2.9388 3.0957 3.0231 3.9103 3.8414 3.8187 3.8920 3.6263 4.2753 4.0441 4.0393 4.0506 3.9493 3.9820 4.3405 3.8989 3.7135 4.3015 4.1013 4.1296 4.0130 4.0033 3.8636 3.8945 4.6315 1.0256 1.0229 1.0005 0.9934 1.0195 1.0144 1.0140 0.9946 0.9929 0.9937 1.0199 1.0258 1.0107 1.0099 0.9984 0.9895 0.9937 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.0171 1.1253 1.1759 1.1267 0.9688 1.0160 1.1808 0.8914 2.0170 1.9967 1.1565 0.8910 2.0071 0.8121 1.1706 0.8997 1.8300 0.9248 1.1861 1.0565 0.8293 1.0933 0.8807 0.9599 0.9554 0.9539 1.0087 0.9887 0.9281 1.3283 1.4449 1.3916 0.9715 0.9792 1.4274 0.9468 1.4823 0.9656 1.3796 0.9723 0.9848 0.9799 0.9774 1.4219 1.4457 1.4552 0.9634 1.4506 0.9592 1.4323 0.9704 1.4390 0.9694 0.9846 0.9772 0.9846 0 23 1 35 2 35 3 35 4 14 4 20 5 19 5 26 6 19 7 25 8 28 8 34 9 28 10 33 10 35 11 12 11 16 12 20 12 25 13 25 13 27 13 28 14 15 14 16 14 19 15 17 15 36 15 37 16 18 17 18 17 21 18 22 20 38 20 39 21 23 21 40 22 24 22 41 23 24 24 42 26 43 26 44 26 45 27 29 27 30 29 31 29 46 30 32 30 47 31 33 31 48 32 33 32 49 34 50 34 51 34 52 -0.031168848 -2299.386483899395 3.87668 -4.41494 -0.53825 -35.38863 33.89358 -1.49505 -1.50219 1.43661 -0.06558 1.59034 4.04233