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 55 56 Cl F F F O O O 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 C C C H H H H H H H H H H H H H H H H H H H H H H 1 2 2 2 3 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:-.5637,1.5154,-2.2934;-2.7513,.0411,2.8601;-2.9539,2.099,3.4313;-3.9758,1.3621,1.6841;2.4863,-.1337,.1465;3.9304,.684,1.6458;-1.143,-2.6753,-2.3014;1.8256,2.3119,-.7081;.9149,-.9944,3.013;4.2233,2.246,-1.1956;3.1253,2.1355,-.1169;5.6048,2.4157,-.5739;4.2222,1.0926,-2.1968;3.2457,.8351,.6762;.686,2.1204,.0309;2.3677,-1.3508,.8649;-.5193,1.7326,-.5711;.6689,2.2935,1.4188;1.7137,-2.3593,-.0439;-1.6408,1.6341,1.543;-1.6613,1.484,.1631;-.468,2.046,2.1595;.5458,-2.0245,-.718;2.2898,-3.6096,-.2059;-2.8322,1.287,2.3751;-.0402,-2.9574,-1.5608;1.5593,-1.136,2.0727;1.693,-4.5341,-1.0507;.5298,-4.2147,-1.7272;-2.2109,-2.0193,-1.7569;-2.614,-2.2018,-.44;-2.9362,-1.1992,-2.6091;-3.758,-1.5623,.0131;-4.0826,-.5745,-2.1449;-4.4994,-.7509,-.8332;3.9847,3.1684,-1.7357;3.3134,2.9369,.6047;5.9237,1.5261,-.031;5.6346,3.2551,.121;6.3437,2.6061,-1.3524;4.55,.1579,-1.7396;4.9135,1.3115,-3.0105;3.2482,.9059,-2.6513;1.7502,2.0222,-1.6701;3.3503,-1.712,1.1844;1.5604,2.6167,1.9386;-2.5531,1.1566,-.3546;-.4222,2.1698,3.2323;.0983,-1.0457,-.5933;3.2011,-3.8645,.3201;2.137,-5.5117,-1.1803;.0578,-4.9281,-2.3895;-2.0529,-2.8401,.2301;-2.6031,-1.0632,-3.6293;-4.0708,-1.7059,1.0378;-4.6481,.0607,-2.8139;-5.3925,-.2598,-.4725; 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 1959 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 260 Dim 1404 ENuc 4180.6903621193 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 4.434e-06 Time for diagonalization 0.463 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.519 sec Total time needed 0.991 sec 17 9 9 9 8 8 8 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 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:-.5637,1.5154,-2.2934;-2.7513,.0411,2.8601;-2.9539,2.099,3.4313;-3.9758,1.3621,1.6841;2.4863,-.1337,.1465;3.9304,.684,1.6458;-1.143,-2.6753,-2.3014;1.8256,2.3119,-.7081;.9149,-.9944,3.013;4.2233,2.246,-1.1956;3.1253,2.1355,-.1169;5.6048,2.4157,-.5739;4.2222,1.0926,-2.1968;3.2457,.8351,.6762;.686,2.1204,.0309;2.3677,-1.3508,.8649;-.5193,1.7326,-.5711;.6689,2.2935,1.4188;1.7137,-2.3593,-.0439;-1.6408,1.6341,1.543;-1.6613,1.484,.1631;-.468,2.046,2.1595;.5458,-2.0245,-.718;2.2898,-3.6096,-.2059;-2.8322,1.287,2.3751;-.0402,-2.9574,-1.5608;1.5593,-1.136,2.0727;1.693,-4.5341,-1.0507;.5298,-4.2147,-1.7272;-2.2109,-2.0193,-1.7569;-2.614,-2.2018,-.44;-2.9362,-1.1992,-2.6091;-3.758,-1.5623,.0131;-4.0826,-.5745,-2.1449;-4.4994,-.7509,-.8332;3.9847,3.1684,-1.7357;3.3134,2.9369,.6047;5.9237,1.5261,-.031;5.6346,3.2551,.121;6.3437,2.6061,-1.3524;4.55,.1579,-1.7396;4.9135,1.3115,-3.0105;3.2482,.9059,-2.6513;1.7502,2.0222,-1.6701;3.3503,-1.712,1.1844;1.5604,2.6167,1.9386;-2.5531,1.1566,-.3546;-.4222,2.1698,3.2323;.0983,-1.0457,-.5933;3.2011,-3.8645,.3201;2.137,-5.5117,-1.1803;.0578,-4.9281,-2.3895;-2.0529,-2.8401,.2301;-2.6031,-1.0632,-3.6293;-4.0708,-1.7059,1.0378;-4.6481,.0607,-2.8139;-5.3925,-.2598,-.4725; 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 4 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:-.5637,1.5154,-2.2934;-2.7513,.0411,2.8601;-2.9539,2.099,3.4313;-3.9758,1.3621,1.6841;2.4863,-.1337,.1465;3.9304,.684,1.6458;-1.143,-2.6753,-2.3014;1.8256,2.3119,-.7081;.9149,-.9944,3.013;4.2233,2.246,-1.1956;3.1253,2.1355,-.1169;5.6048,2.4157,-.5739;4.2222,1.0926,-2.1968;3.2457,.8351,.6762;.686,2.1204,.0309;2.3677,-1.3508,.8649;-.5193,1.7326,-.5711;.6689,2.2935,1.4188;1.7137,-2.3593,-.0439;-1.6408,1.6341,1.543;-1.6613,1.484,.1631;-.468,2.046,2.1595;.5458,-2.0245,-.718;2.2898,-3.6096,-.2059;-2.8322,1.287,2.3751;-.0402,-2.9574,-1.5608;1.5593,-1.136,2.0727;1.693,-4.5341,-1.0507;.5298,-4.2147,-1.7272;-2.2109,-2.0193,-1.7569;-2.614,-2.2018,-.44;-2.9362,-1.1992,-2.6091;-3.758,-1.5623,.0131;-4.0826,-.5745,-2.1449;-4.4994,-.7509,-.8332;3.9847,3.1684,-1.7357;3.3134,2.9369,.6047;5.9237,1.5261,-.031;5.6346,3.2551,.121;6.3437,2.6061,-1.3524;4.55,.1579,-1.7396;4.9135,1.3115,-3.0105;3.2482,.9059,-2.6513;1.7502,2.0222,-1.6701;3.3503,-1.712,1.1844;1.5604,2.6167,1.9386;-2.5531,1.1566,-.3546;-.4222,2.1698,3.2323;.0983,-1.0457,-.5933;3.2011,-3.8645,.3201;2.137,-5.5117,-1.1803;.0578,-4.9281,-2.3895;-2.0529,-2.8401,.2301;-2.6031,-1.0632,-3.6293;-4.0708,-1.7059,1.0378;-4.6481,.0607,-2.8139;-5.3925,-.2598,-.4725; -2099.10127504 4180.69036212 -6279.79163716 -11196.15092468 4916.35928752 -4190.97712749 2091.87585246 2.00345404 129.999811506133 129.999811506133 259.999623012266 -173.925441260533 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.5872 -675.1444 -675.0693 -674.9645 -525.5149 -524.7453 -523.7112 -393.3301 -392.7467 -286.3062 -283.8525 -283.1598 -281.9483 -281.6474 -281.6447 -281.6268 -281.6217 -280.9518 -280.8538 -280.6570 -280.4480 -280.3572 -280.3411 -280.3067 -280.2913 -280.2892 -280.2088 -280.1032 -279.9376 -279.8941 -279.8809 -279.8707 -279.8248 -279.7208 -279.7171 -260.8546 -199.6878 -199.4547 -199.4498 -38.9059 -36.4186 -36.2837 -34.5014 -33.1704 -31.8983 -29.8251 -28.2384 -27.7649 -27.4706 -26.7800 -26.5618 -25.9809 -25.5656 -24.4355 -24.3994 -23.8202 -23.7642 -23.6033 -23.2741 -22.8959 -22.3649 -21.8990 -20.9497 -20.5656 -20.3208 -20.2310 -20.0497 -19.8008 -19.4480 -19.1105 -18.8692 -18.8152 -18.3340 -18.2446 -18.1609 -17.7455 -17.6234 -17.2079 -16.7718 -16.4415 -16.3864 -16.2723 -16.0016 -15.8976 -15.6628 -15.6264 -15.5025 -15.3341 -15.2348 -15.1379 -15.0481 -14.9326 -14.7946 -14.7274 -14.5448 -14.4552 -14.4021 -14.2129 -14.1480 -14.1209 -14.0050 -13.8516 -13.7735 -13.6819 -13.5048 -13.2567 -13.1711 -13.0137 -12.9162 -12.8484 -12.6412 -12.5632 -12.4839 -12.4296 -12.4055 -12.2581 -12.1791 -12.0441 -11.9229 -11.8731 -11.8244 -11.6433 -11.5440 -10.7226 -9.9292 -9.6784 -9.5977 -9.4030 -8.6136 -8.4344 0.7197 1.0062 1.1797 1.2844 1.6019 1.7802 1.9059 2.4640 2.7778 2.8298 2.9108 3.4062 3.4206 3.5155 3.6704 3.7992 3.9888 4.1391 4.2628 4.3731 4.5080 4.6497 4.6752 4.7605 4.9054 4.9985 5.2069 5.2352 5.3590 5.4650 5.4978 5.6289 5.7792 5.8500 5.9168 6.0638 6.1432 6.1896 6.3347 6.4645 6.5440 6.7211 6.7326 6.8341 6.9465 7.1102 7.1516 7.2777 7.3090 7.4383 7.5342 7.5844 7.6724 7.7857 7.8147 7.8522 7.9330 8.0010 8.0626 8.1822 8.2683 8.3078 8.4285 8.5156 8.6616 8.7659 8.8241 8.9339 9.0573 9.1796 9.2192 9.3310 9.4013 9.4632 9.5992 9.7052 9.7277 9.8246 9.8834 9.9326 9.9658 10.1419 10.1602 10.2437 10.3210 10.4923 10.6075 10.6351 10.7714 10.9963 11.0107 11.0296 11.1207 11.2293 11.2579 11.4072 11.4502 11.5350 11.6132 11.7409 11.8368 11.8724 11.9272 12.0471 12.0943 12.2224 12.3820 12.4303 12.5554 12.6280 12.6673 12.7965 12.8646 12.9513 12.9972 13.0458 13.0980 13.1542 13.2874 13.4276 13.4619 13.5374 13.7029 13.7411 13.7554 13.8336 13.8657 13.9523 13.9827 14.0443 14.1422 14.3085 14.3495 14.4490 14.5173 14.6346 14.6514 14.7666 14.8422 14.9174 15.0252 15.1121 15.2056 15.3963 15.4234 15.4603 15.5668 15.6583 15.7530 15.8226 15.9255 16.0237 16.0567 16.1368 16.2295 16.3188 16.4327 16.4686 16.5383 16.7797 16.8774 16.9789 17.0033 17.0642 17.2618 17.3822 17.4058 17.5356 17.6784 17.7982 17.9750 18.1278 18.2267 18.2566 18.5399 18.6020 18.7004 18.7443 18.8370 19.0562 19.1303 19.2252 19.2580 19.4774 19.6086 19.6593 19.7453 19.7787 19.8761 20.1318 20.1744 20.2931 20.3582 20.5531 20.5605 20.6671 20.8344 20.9082 20.9338 21.0619 21.0878 21.2534 21.3388 21.4768 21.5773 21.6252 21.7453 21.7759 21.9535 22.0842 22.1767 22.3399 22.3504 22.4312 22.5391 22.6270 22.7330 22.7895 22.9427 23.0990 23.1569 23.2493 23.4201 23.5251 23.5929 23.7688 23.8515 23.9421 24.0477 24.2249 24.3101 24.4227 24.5057 24.6480 24.6728 24.8700 24.9640 25.0386 25.0476 25.2015 25.3268 25.5103 25.5689 25.7238 25.8440 25.8664 26.0514 26.2515 26.3764 26.4642 26.6336 26.6505 26.7895 26.8355 26.9411 26.9655 27.0696 27.1939 27.3903 27.5193 27.7149 27.7642 27.8545 27.9234 28.0271 28.1342 28.2098 28.3256 28.4707 28.6384 28.7632 28.8701 28.9283 28.9599 29.1799 29.2466 29.3011 29.4321 29.5156 29.6237 29.8480 29.9538 30.0367 30.1523 30.3604 30.3874 30.4917 30.5432 30.7080 30.8818 30.9990 31.1854 31.2685 31.3328 31.4258 31.6635 31.7910 31.9428 32.0266 32.1861 32.2530 32.2614 32.4036 32.5745 32.6413 32.7400 32.9877 33.0176 33.0836 33.2086 33.3764 33.3995 33.4830 33.6990 33.7368 33.9239 34.0577 34.0730 34.2250 34.4014 34.4797 34.6178 34.8309 34.8946 34.9176 35.0620 35.1229 35.3080 35.4424 35.5179 35.6052 35.7649 35.8766 35.9240 36.1370 36.2213 36.3243 36.3544 36.6792 36.7903 36.8194 36.9853 36.9991 37.2867 37.4825 37.5181 37.6055 37.6433 37.8210 37.9020 37.9699 38.0518 38.1867 38.2498 38.4247 38.4895 38.6046 38.7757 38.8327 38.8709 39.1176 39.3443 39.3538 39.4306 39.5706 39.6587 39.8288 39.8636 39.9280 39.9962 40.1058 40.1927 40.3058 40.3918 40.5663 40.7040 40.7734 40.8674 40.9518 41.0134 41.1924 41.2939 41.3868 41.5731 41.6713 41.7824 41.8639 42.0060 42.1600 42.3918 42.5767 42.6728 42.7476 42.7820 42.9909 43.1996 43.2791 43.4168 43.5132 43.6777 43.9163 43.9536 44.0374 44.1361 44.2702 44.3971 44.4737 44.5122 44.6161 44.7638 44.9920 45.1738 45.1769 45.4057 45.6396 45.9900 46.0484 46.2539 46.3149 46.3877 46.4574 46.5936 46.8486 47.0107 47.1454 47.2730 47.4435 47.4598 47.6570 47.7836 47.9472 47.9854 48.0854 48.2088 48.3411 48.3644 48.4072 48.5665 48.6467 48.8359 49.0041 49.0252 49.3646 49.5597 49.6789 49.7639 49.8915 49.9996 50.1158 50.2674 50.5916 50.6146 50.7806 50.9512 51.1376 51.2510 51.4968 51.7198 51.7670 51.8386 52.0623 52.3568 52.4303 52.7371 52.8189 53.0753 53.1265 53.1726 53.4957 53.6099 53.7167 54.0263 54.0865 54.2544 54.4033 54.6506 54.7632 54.9718 55.0861 55.3255 55.4368 55.6171 55.6659 55.7998 55.9064 56.0570 56.2542 56.3642 56.5148 56.6005 56.8534 56.9356 57.1223 57.2864 57.3383 57.4592 57.6390 57.8650 57.9455 58.1776 58.3257 58.3931 58.4449 58.7201 58.9124 59.2145 59.2662 59.4930 59.6571 59.8865 60.0081 60.1149 60.2222 60.4264 60.5307 60.6557 60.7582 60.8823 60.9537 61.0785 61.2335 61.5160 61.7163 62.0647 62.1906 62.5022 62.6989 62.7256 63.1104 63.2109 63.3983 63.6037 63.7246 63.8216 64.2461 64.3554 64.5130 64.5966 64.7001 64.9236 65.1985 65.3454 65.4803 65.6232 65.8058 65.9697 66.0195 66.0702 66.2739 66.3755 66.5722 66.7502 67.0261 67.0889 67.2161 67.3916 67.5101 67.6044 67.8477 67.9626 68.0345 68.2178 68.2789 68.4193 68.5841 68.8876 69.0102 69.2010 69.3539 69.4757 69.5879 69.9536 70.2402 70.4526 70.5596 70.5724 70.7773 70.9758 71.2081 71.5240 71.8435 72.1883 72.2721 72.3757 72.5711 72.7935 73.1097 73.2845 73.4838 73.6519 73.8287 74.0040 74.2806 74.4955 74.5658 74.6238 75.0441 75.0796 75.1136 75.4846 75.7460 75.8891 76.0170 76.1448 76.2937 76.4016 76.6249 76.6670 76.7047 76.8060 76.8627 76.9798 77.3332 77.6037 77.7041 77.8063 77.9532 78.0632 78.1336 78.3473 78.5337 78.5748 78.6870 78.7207 78.8122 78.9839 79.1042 79.2236 79.2585 79.3132 79.4570 79.6313 79.8492 79.8705 79.9670 80.0801 80.2044 80.2840 80.4962 80.7502 80.8456 80.8694 81.0386 81.1321 81.1826 81.4022 81.5229 81.6442 81.8716 82.0868 82.1896 82.2405 82.4254 82.5468 82.6481 82.7137 82.8068 82.8583 82.9918 83.0521 83.1604 83.1744 83.2454 83.4489 83.5525 83.7568 83.8558 83.9433 84.0911 84.2417 84.3306 84.3737 84.5583 84.7221 84.8507 84.9105 84.9444 85.0175 85.1376 85.2068 85.2690 85.4586 85.6599 85.6837 85.8682 85.9283 86.0382 86.1194 86.2476 86.3465 86.4285 86.5628 86.7040 86.8656 86.8784 87.0175 87.0300 87.1555 87.2574 87.5311 87.5629 87.6483 87.8424 87.9254 87.9785 88.1680 88.2453 88.3331 88.4046 88.5971 88.6989 88.8806 88.8997 89.0834 89.1497 89.1877 89.3281 89.4476 89.4605 89.5201 89.5570 89.7571 89.8697 89.9557 90.0848 90.2274 90.3219 90.4708 90.5853 90.7903 90.9084 90.9601 91.0168 91.1027 91.2062 91.3494 91.4046 91.6287 91.7060 91.7888 91.8915 92.0847 92.2011 92.2588 92.3301 92.5238 92.6382 92.6728 92.7463 92.8652 92.9910 93.0871 93.0937 93.2432 93.3020 93.3956 93.5057 93.5831 93.8867 93.9409 94.0263 94.1274 94.1499 94.2555 94.3485 94.4335 94.5353 94.7878 94.8390 94.9552 95.0683 95.1707 95.2243 95.3199 95.4183 95.5078 95.5993 95.6254 95.7975 95.9458 96.0092 96.2217 96.4491 96.5417 96.6784 96.7013 96.8108 96.8803 97.0618 97.1425 97.2125 97.3101 97.4000 97.5926 97.6937 97.7653 97.9562 97.9828 98.1208 98.2597 98.4234 98.5146 98.5824 98.7925 98.8821 98.9560 99.0938 99.2580 99.4474 99.5779 99.6434 99.7795 99.9308 100.0963 100.1726 100.2369 100.4351 100.4921 100.7448 100.8837 101.1237 101.1624 101.3097 101.4438 101.6469 101.9090 101.9915 102.1492 102.2456 102.4123 102.5362 102.7070 102.8420 103.0881 103.1452 103.3305 103.5782 103.7423 103.8697 103.9758 104.0887 104.2541 104.4521 104.5150 104.6918 104.7102 104.9459 105.0517 105.2206 105.2666 105.4208 105.5030 105.6854 105.7712 105.8444 105.9139 106.0529 106.2558 106.2742 106.4066 106.6200 106.7339 106.7990 106.9556 106.9914 107.0419 107.2951 107.3492 107.4543 107.6854 107.8297 108.1173 108.2687 108.4105 108.5154 108.6931 108.8341 108.9135 108.9932 109.0124 109.2778 109.4769 109.5579 109.7018 109.8226 109.9281 110.0986 110.1923 110.2346 110.4618 110.6488 110.7832 110.8804 110.9248 111.0010 111.1745 111.2867 111.4033 111.4891 111.8060 111.8855 111.9993 112.0240 112.2502 112.3318 112.5436 112.6856 112.9067 113.0074 113.1354 113.2652 113.5580 113.5929 113.7197 114.0138 114.0820 114.2116 114.3733 114.5583 114.6931 114.8418 115.0338 115.1536 115.1870 115.2757 115.3654 115.5704 115.6793 115.7718 115.8895 116.0509 116.0978 116.2359 116.4223 116.5189 116.7974 116.9577 117.0445 117.0936 117.1868 117.4866 117.5920 117.6457 117.6855 117.8403 117.8681 118.1933 118.3005 118.3720 118.4764 118.5173 118.5999 118.7118 118.7668 118.9142 119.1463 119.1614 119.3011 119.5456 119.5932 119.7580 119.8456 120.0068 120.1891 120.2392 120.4193 120.4896 120.6611 120.7830 120.8964 121.0394 121.1819 121.3286 121.3873 121.4820 121.6511 121.7595 122.0326 122.2305 122.4929 122.5910 122.8128 122.9305 123.1003 123.3152 123.6879 124.0447 124.2972 124.6669 124.7794 125.0226 125.1367 125.5133 125.5909 125.8482 126.3053 126.3636 126.4837 126.7968 126.9259 127.3226 127.4652 127.6336 127.8122 128.1661 128.2333 128.5371 128.5868 128.7996 129.0228 129.1987 129.4224 129.5164 129.6599 129.7742 130.0192 130.1044 130.4944 130.5208 130.7379 130.9356 130.9878 131.1730 131.2280 131.2913 131.4256 131.7911 131.8305 131.9447 132.1241 132.1784 132.3983 132.6550 132.7743 132.9410 133.2773 133.4881 133.6322 133.8110 133.9182 134.2471 134.5367 134.7215 135.0314 135.2399 135.3775 135.5741 136.0962 136.2488 136.4477 136.5365 136.7363 137.1068 137.2570 137.5035 137.7608 138.2616 138.3171 138.5645 138.6139 138.8611 139.1566 139.3402 139.4095 139.6663 139.8567 140.2659 140.4036 140.8412 141.1128 141.3125 141.3950 141.8549 142.4146 142.4705 142.9618 143.1094 143.3456 143.7271 144.1719 144.3505 144.4680 144.7066 144.8089 144.9049 145.1816 145.2581 145.5319 145.9122 145.9960 146.1767 146.5335 146.7282 146.9338 147.2565 147.4106 147.8954 147.9477 148.0033 148.2176 148.2972 148.5582 148.7409 148.9327 149.0852 149.3750 149.5092 150.0256 150.1042 150.1214 150.3119 150.5002 150.6415 150.8055 151.3282 151.8110 151.9522 152.3924 152.5181 152.8133 152.8856 152.9926 153.3836 153.7735 154.4222 154.5329 154.8423 154.9753 155.3499 155.5390 155.8659 156.1678 156.2916 156.8078 156.9637 157.0773 157.2685 157.3529 157.7230 157.9778 158.4701 158.5257 158.8536 158.9565 159.4084 160.0086 160.3229 160.5415 161.2453 161.6285 161.8564 162.0417 162.2768 162.9720 163.2277 163.4101 163.5373 164.3364 166.3188 166.9602 167.2110 168.7798 170.2367 170.9311 171.4563 171.7451 171.9144 173.1807 173.2772 174.6434 174.8575 176.4209 177.2794 177.7051 178.0240 179.4965 180.8677 181.8909 185.2602 186.7533 187.2790 187.5842 187.7205 187.9314 188.9813 189.0989 189.2283 189.4135 189.4581 189.5526 189.5660 189.6391 189.9844 190.0170 192.0987 192.3278 192.7794 193.1530 193.4424 194.0666 195.2776 195.6713 195.7836 196.2794 197.1578 198.6287 202.2613 203.3024 203.5849 205.2687 206.3191 206.7125 207.1814 207.6373 210.0647 210.4038 223.0796 224.5595 225.0516 228.4191 228.5599 229.1433 229.5875 230.3112 233.4667 233.5489 236.2517 239.4064 241.5011 241.7682 244.7153 246.5135 247.9136 248.6871 251.1353 252.4089 296.8477 300.0716 314.1196 619.0039 620.9943 621.9578 626.2725 629.3657 630.9502 631.9079 632.2905 632.9758 634.0045 634.1675 634.6386 635.4484 635.7701 636.2575 636.6171 637.3301 637.5862 637.7252 642.5779 644.5953 645.9854 649.4841 654.7014 657.5947 658.4960 718.1260 879.6690 904.5079 1200.9490 1213.9987 1215.3786 1559.8481 1562.2931 1565.4351 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 55 56 Cl F F F O O O 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 C C C H H H H H H H H H H H H H H H H H H H H H H -0.096807 -0.169949 -0.175902 -0.179893 -0.249616 -0.310373 -0.294571 -0.236546 -0.000308 -0.026788 0.126552 -0.268213 -0.256775 0.233126 0.135432 0.293218 0.022057 -0.169976 0.036885 -0.059252 -0.103797 -0.166171 -0.113277 -0.151509 0.555975 0.205879 -0.249042 -0.094745 -0.192924 0.279194 -0.125439 -0.266256 -0.157734 -0.061392 -0.159280 0.067242 0.114737 0.090399 0.087239 0.089555 0.078376 0.097422 0.081990 0.136768 0.115945 0.124709 0.145080 0.122628 0.073896 0.113534 0.129284 0.130392 0.131026 0.123912 0.136034 0.126073 0.131977 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 Cl F F F O O O 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 C C C H H H H H H H H H H H H H H H H H H H H H H 17.0968 9.1699 9.1759 9.1799 8.2496 8.3104 8.2946 7.2365 7.0003 6.0268 5.8734 6.2682 6.2568 5.7669 5.8646 5.7068 5.9779 6.1700 5.9631 6.0593 6.1038 6.1662 6.1133 6.1515 5.4440 5.7941 6.2490 6.0947 6.1929 5.7208 6.1254 6.2663 6.1577 6.0614 6.1593 0.9328 0.8853 0.9096 0.9128 0.9104 0.9216 0.9026 0.9180 0.8632 0.8841 0.8753 0.8549 0.8774 0.9261 0.8865 0.8707 0.8696 0.8690 0.8761 0.8640 0.8739 0.8680 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0968 -0.1699 -0.1759 -0.1799 -0.2496 -0.3104 -0.2946 -0.2365 -0.0003 -0.0268 0.1266 -0.2682 -0.2568 0.2331 0.1354 0.2932 0.0221 -0.1700 0.0369 -0.0593 -0.1038 -0.1662 -0.1133 -0.1515 0.5560 0.2059 -0.2490 -0.0947 -0.1929 0.2792 -0.1254 -0.2663 -0.1577 -0.0614 -0.1593 0.0672 0.1147 0.0904 0.0872 0.0896 0.0784 0.0974 0.0820 0.1368 0.1159 0.1247 0.1451 0.1226 0.0739 0.1135 0.1293 0.1304 0.1310 0.1239 0.1360 0.1261 0.1320 1.2348 1.1211 1.1293 1.1198 2.1371 2.1931 2.1179 3.1843 3.0888 3.9406 3.8378 3.9552 3.9410 4.1887 3.8955 3.8601 3.9353 3.9162 3.7348 3.7451 3.9104 4.0756 3.9493 3.9689 4.4248 3.8588 3.9532 3.9646 4.0273 3.7303 3.8806 3.9866 3.8989 3.8679 3.9075 1.0145 1.0041 1.0108 1.0090 1.0027 1.0126 1.0059 1.0207 1.0735 1.0256 1.0160 1.0043 1.0209 1.0536 1.0105 1.0002 1.0112 1.0055 1.0185 1.0118 0.9982 1.0035 1.2348 1.1211 1.1293 1.1198 2.1371 2.1931 2.1179 3.1843 3.0888 3.9406 3.8378 3.9552 3.9410 4.1887 3.8955 3.8601 3.9353 3.9162 3.7348 3.7451 3.9104 4.0756 3.9493 3.9689 4.4248 3.8588 3.9532 3.9646 4.0273 3.7303 3.8806 3.9866 3.8989 3.8679 3.9075 1.0145 1.0041 1.0108 1.0090 1.0027 1.0126 1.0059 1.0207 1.0735 1.0256 1.0160 1.0043 1.0209 1.0536 1.0105 1.0002 1.0112 1.0055 1.0185 1.0118 0.9982 1.0035 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 1.0421 1.1221 1.1417 1.1117 1.1336 0.8997 2.0622 0.9821 0.9583 0.9789 1.1692 0.9794 3.0150 0.9241 0.9612 0.9498 1.0151 0.8641 1.0124 0.9749 0.9931 0.9957 0.9771 0.9930 0.9906 1.2926 1.2992 0.8970 0.9384 0.9979 1.4132 1.4765 0.9826 1.3865 1.3724 1.3688 1.3931 1.0019 0.9511 0.9730 1.3988 0.9573 1.4495 0.9593 1.4100 1.4514 0.9726 0.9663 1.3550 1.3772 1.4056 0.9708 1.4190 0.9943 1.4013 0.9855 1.4002 0.9880 0.9935 0 16 1 24 2 24 3 24 4 13 4 15 5 13 6 25 6 29 7 10 7 14 7 43 8 26 9 10 9 11 9 12 9 35 10 13 10 36 11 37 11 38 11 39 12 40 12 41 12 42 14 16 14 17 15 18 15 26 15 44 16 20 17 21 17 45 18 22 18 23 19 20 19 21 19 24 20 46 21 47 22 25 22 48 23 27 23 49 25 28 27 28 27 50 28 51 29 30 29 31 30 32 30 52 31 33 31 53 32 34 32 54 33 34 33 55 34 56 -0.041115168 -2099.142390205808 36.06249 -34.57533 1.48717 -4.25206 4.06232 -0.18974 -18.40478 16.63962 -1.76516 2.31591 5.88659