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 Cl F O O O N C C C C C C C C C C C C C C C C C C C C C 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 1 2 3 3 3 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 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 6 488.2089031999996 AuxInfo=1/0/N:11,12,35,33,34,31,32,19,20,25,22,23,28,24,13,21,17,18,26,30,9,15,29,27,16,10,14,8,2,1,3,7,5,6,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,17.3,18.3,19.3,20.3,22.3,23.3,24.3,27.3,32.1,33.1/rA:57nClClFOO1ON1CCCCCC3C3C3CC3C3C3C3C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s13;s4;s15;s16;s17;s17;s7s16;s19;s20;s18;s18;s2s22s23;s6s24;s25;s3s27s28;s6;s30;s30;s31;s32;s33s34;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s24;s22;s23;s25;s28;s31;s32;s33;s34;s35;/rC:2.3255,4.657,1.6043;9.0191,2.8273,1.6886;-6.7629,-1.663,-1.956;-1.1265,-.6289,.607;-1.7793,1.4832,.9625;-4.787,-3.4064,-2.232;-1.5686,-3.4086,2.3386;.3025,2.1176,-1.2999;.9374,2.3546,.0385;.2421,1.0332,-.244;1.1749,1.8225,-2.4969;-.9236,2.9243,-1.6521;2.3915,2.3584,.2401;-.9923,.7057,.496;3.1018,3.2613,.9182;-2.2634,-1.1033,1.3219;4.5536,3.1743,1.1369;-3.4738,-1.2476,.4346;5.3656,4.3075,1.1268;5.155,1.9343,1.3489;-1.8604,-2.3926,1.89;6.7353,4.2059,1.2913;6.5244,1.8197,1.513;-3.5354,-2.2843,-.4911;-4.5132,-.3361,.5289;7.3114,2.9593,1.4791;-4.6489,-2.4355,-1.3009;-5.6261,-.4715,-.2881;-5.6893,-1.5153,-1.1839;-4.1607,-4.6117,-2.0443;-4.3096,-5.3285,-.8648;-3.4096,-5.1173,-3.0926;-3.6861,-6.5592,-.7383;-2.8009,-6.3565,-2.9569;-2.9312,-7.0781,-1.7806;.3796,3.0228,.6849;.8863,.1801,-.4254;1.5752,2.7482,-2.9127;.5917,1.3311,-3.2768;2.0193,1.1742,-2.2659;-.6187,3.8437,-2.1542;-1.5162,3.2006,-.7844;-1.5672,2.3711,-2.3383;2.9593,1.5492,-.2054;-2.4974,-.4309,2.153;4.9275,5.2854,.9808;4.5437,1.044,1.4154;-2.7213,-2.9954,-.5678;7.3525,5.0933,1.2732;6.9739,.8515,1.6843;-4.4596,.4831,1.2325;-6.4512,.2248,-.2253;-4.9034,-4.9317,-.0513;-3.3107,-4.5451,-4.0055;-3.7947,-7.1156,.1829;-2.2159,-6.7541,-3.7756;-2.4483,-8.0399,-1.675; 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 1961 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 264 Dim 1415 ENuc 3607.7641225283 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 8.083e-06 Time for diagonalization 0.470 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.376 sec Total time needed 0.861 sec 17 17 9 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 1 488.2089031999996 AuxInfo=1/0/N:11,12,35,33,34,31,32,19,20,25,22,23,28,24,13,21,17,18,26,30,9,15,29,27,16,10,14,8,2,1,3,7,5,6,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,17.3,18.3,19.3,20.3,22.3,23.3,24.3,27.3,32.1,33.1/rA:57nClClFOO1ON1CCCCCC3C3C3CC3C3C3C3C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s13;s4;s15;s16;s17;s17;s7s16;s19;s20;s18;s18;s2s22s23;s6s24;s25;s3s27s28;s6;s30;s30;s31;s32;s33s34;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s24;s22;s23;s25;s28;s31;s32;s33;s34;s35;/rC:2.3255,4.657,1.6043;9.0191,2.8273,1.6886;-6.7629,-1.663,-1.956;-1.1265,-.6289,.607;-1.7793,1.4832,.9625;-4.787,-3.4064,-2.232;-1.5686,-3.4086,2.3386;.3025,2.1176,-1.2999;.9374,2.3546,.0385;.2421,1.0332,-.244;1.1749,1.8225,-2.4969;-.9236,2.9243,-1.6521;2.3915,2.3584,.2401;-.9923,.7057,.496;3.1018,3.2613,.9182;-2.2634,-1.1033,1.3219;4.5536,3.1743,1.1369;-3.4738,-1.2476,.4346;5.3656,4.3075,1.1268;5.155,1.9343,1.3489;-1.8604,-2.3926,1.89;6.7353,4.2059,1.2913;6.5244,1.8197,1.513;-3.5354,-2.2843,-.4911;-4.5132,-.3361,.5289;7.3114,2.9593,1.4791;-4.6489,-2.4355,-1.3009;-5.6261,-.4715,-.2881;-5.6893,-1.5153,-1.1839;-4.1607,-4.6117,-2.0443;-4.3096,-5.3285,-.8648;-3.4096,-5.1173,-3.0926;-3.6861,-6.5592,-.7383;-2.8009,-6.3565,-2.9569;-2.9312,-7.0781,-1.7806;.3796,3.0228,.6849;.8863,.1801,-.4254;1.5752,2.7482,-2.9127;.5917,1.3311,-3.2768;2.0193,1.1742,-2.2659;-.6187,3.8437,-2.1542;-1.5162,3.2006,-.7844;-1.5672,2.3711,-2.3383;2.9593,1.5492,-.2054;-2.4974,-.4309,2.153;4.9275,5.2854,.9808;4.5437,1.044,1.4154;-2.7213,-2.9954,-.5678;7.3525,5.0933,1.2732;6.9739,.8515,1.6843;-4.4596,.4831,1.2325;-6.4512,.2248,-.2253;-4.9034,-4.9317,-.0513;-3.3107,-4.5451,-4.0055;-3.7947,-7.1156,.1829;-2.2159,-6.7541,-3.7756;-2.4483,-8.0399,-1.675; 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 4 488.2089031999996 AuxInfo=1/0/N:11,12,35,33,34,31,32,19,20,25,22,23,28,24,13,21,17,18,26,30,9,15,29,27,16,10,14,8,2,1,3,7,5,6,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,17.3,18.3,19.3,20.3,22.3,23.3,24.3,27.3,32.1,33.1/rA:57nClClFOO1ON1CCCCCC3C3C3CC3C3C3C3C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s13;s4;s15;s16;s17;s17;s7s16;s19;s20;s18;s18;s2s22s23;s6s24;s25;s3s27s28;s6;s30;s30;s31;s32;s33s34;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s24;s22;s23;s25;s28;s31;s32;s33;s34;s35;/rC:2.3255,4.657,1.6043;9.0191,2.8273,1.6886;-6.7629,-1.663,-1.956;-1.1265,-.6289,.607;-1.7793,1.4832,.9625;-4.787,-3.4064,-2.232;-1.5686,-3.4086,2.3386;.3025,2.1176,-1.2999;.9374,2.3546,.0385;.2421,1.0332,-.244;1.1749,1.8225,-2.4969;-.9236,2.9243,-1.6521;2.3915,2.3584,.2401;-.9923,.7057,.496;3.1018,3.2613,.9182;-2.2634,-1.1033,1.3219;4.5536,3.1743,1.1369;-3.4738,-1.2476,.4346;5.3656,4.3075,1.1268;5.155,1.9343,1.3489;-1.8604,-2.3926,1.89;6.7353,4.2059,1.2913;6.5244,1.8197,1.513;-3.5354,-2.2843,-.4911;-4.5132,-.3361,.5289;7.3114,2.9593,1.4791;-4.6489,-2.4355,-1.3009;-5.6261,-.4715,-.2881;-5.6893,-1.5153,-1.1839;-4.1607,-4.6117,-2.0443;-4.3096,-5.3285,-.8648;-3.4096,-5.1173,-3.0926;-3.6861,-6.5592,-.7383;-2.8009,-6.3565,-2.9569;-2.9312,-7.0781,-1.7806;.3796,3.0228,.6849;.8863,.1801,-.4254;1.5752,2.7482,-2.9127;.5917,1.3311,-3.2768;2.0193,1.1742,-2.2659;-.6187,3.8437,-2.1542;-1.5162,3.2006,-.7844;-1.5672,2.3711,-2.3383;2.9593,1.5492,-.2054;-2.4974,-.4309,2.153;4.9275,5.2854,.9808;4.5437,1.044,1.4154;-2.7213,-2.9954,-.5678;7.3525,5.0933,1.2732;6.9739,.8515,1.6843;-4.4596,.4831,1.2325;-6.4512,.2248,-.2253;-4.9034,-4.9317,-.0513;-3.3107,-4.5451,-4.0055;-3.7947,-7.1156,.1829;-2.2159,-6.7541,-3.7756;-2.4483,-8.0399,-1.675; -2380.98558183 3607.76412253 -5988.74970436 -10434.71941798 4445.96971361 -4754.53547048 2373.54988864 2.00313273 131.999957041590 131.999957041590 263.999914083180 -182.588736045243 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 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.3985 -2765.3640 -675.0946 -525.3692 -524.9143 -523.4747 -392.8378 -283.8183 -283.0829 -282.4769 -282.1040 -281.7803 -281.7362 -281.7165 -281.0522 -280.9475 -280.7646 -280.6704 -280.6644 -280.6136 -280.4510 -280.4497 -280.3929 -280.3776 -280.3772 -280.3360 -280.3254 -280.3085 -280.0603 -280.0501 -280.0118 -279.9808 -279.8862 -279.8594 -279.6142 -260.6714 -260.6362 -199.5052 -199.4716 -199.2749 -199.2602 -199.2360 -199.2272 -37.0597 -34.2758 -33.3360 -31.6933 -28.3534 -28.1874 -27.9572 -27.5688 -27.4422 -26.9108 -26.2562 -25.6554 -24.5791 -24.5297 -24.1485 -23.9943 -23.9081 -23.7423 -23.4130 -23.1150 -22.3788 -21.5392 -21.1989 -20.4796 -20.3089 -20.1969 -19.9681 -19.4946 -19.1951 -18.8116 -18.4682 -18.3828 -18.0095 -17.8453 -17.5342 -17.1255 -16.9727 -16.8607 -16.4689 -16.3839 -16.2981 -16.0950 -15.8837 -15.8387 -15.7562 -15.4202 -15.2921 -15.1685 -15.0551 -14.9673 -14.8084 -14.7812 -14.6722 -14.5381 -14.2667 -14.1049 -14.0879 -13.9571 -13.8219 -13.7403 -13.5792 -13.3835 -13.2998 -13.1829 -13.0944 -13.0349 -12.9016 -12.8799 -12.7335 -12.6084 -12.4764 -12.3613 -12.2906 -12.2300 -12.0204 -11.9846 -11.6129 -11.5323 -11.3657 -11.2539 -10.8860 -10.6791 -9.9451 -9.9238 -9.8604 -9.6063 -9.5237 -8.7509 -8.6028 0.3875 0.8163 1.1550 1.1584 1.5260 1.6938 1.7676 2.3757 2.5567 2.7262 2.9316 2.9875 3.1227 3.3507 3.5604 3.6728 3.7359 4.0094 4.1596 4.2113 4.2468 4.3158 4.3641 4.4776 4.5296 4.6395 4.6701 4.8648 4.9748 5.0898 5.2136 5.2428 5.2946 5.3727 5.5002 5.6406 5.7817 5.8425 5.9245 5.9832 6.0734 6.1288 6.3198 6.4556 6.4879 6.5300 6.6631 6.7814 6.7989 7.0268 7.1274 7.2465 7.2895 7.4321 7.4678 7.5331 7.6361 7.6925 7.8143 7.8308 7.9121 8.0020 8.0368 8.0713 8.1358 8.2808 8.3394 8.4600 8.5340 8.5927 8.6352 8.7147 8.7333 8.8224 8.9839 9.0137 9.1108 9.2362 9.3829 9.4762 9.5920 9.6375 9.7213 9.8018 9.8835 9.9160 10.0352 10.0698 10.2709 10.3151 10.3439 10.5127 10.6031 10.6322 10.7672 10.7803 10.9213 11.0181 11.0755 11.1109 11.2595 11.2841 11.3407 11.4303 11.5323 11.5909 11.6474 11.7022 11.7498 11.7706 11.9059 11.9727 12.0344 12.2012 12.2298 12.3158 12.3785 12.4643 12.4881 12.5498 12.6119 12.6499 12.7245 12.8182 12.8761 12.9331 13.0119 13.0806 13.1730 13.2572 13.3865 13.4131 13.5226 13.5400 13.6284 13.6903 13.7976 13.8577 13.9250 13.9345 13.9846 14.0476 14.1440 14.2197 14.3669 14.3905 14.4684 14.4845 14.6074 14.6377 14.7722 14.8299 14.8879 14.9741 15.0586 15.1640 15.2523 15.2559 15.4001 15.4751 15.6399 15.6724 15.7375 15.8152 15.8995 15.9485 16.0742 16.1084 16.1794 16.2474 16.2818 16.3756 16.5793 16.6408 16.6979 16.7780 16.8567 16.9318 17.0000 17.1777 17.3732 17.4598 17.5669 17.6403 17.7367 17.9104 17.9608 18.1338 18.2811 18.3510 18.4254 18.4834 18.6850 18.9242 19.0521 19.1441 19.2171 19.2665 19.5751 19.6400 19.7052 19.7655 19.9162 20.0391 20.1240 20.2036 20.2872 20.3310 20.4380 20.5028 20.5420 20.5583 20.7254 20.8646 20.9982 21.0338 21.1243 21.1498 21.2375 21.4058 21.4615 21.6681 21.7637 21.8679 21.9844 21.9956 22.1030 22.2681 22.3322 22.3640 22.5652 22.6351 22.7088 22.8211 22.9432 23.0396 23.1431 23.1858 23.2679 23.4355 23.5189 23.5786 23.7744 23.8423 23.8811 23.9530 24.0327 24.1505 24.3038 24.4507 24.5611 24.7646 24.8767 25.0198 25.1422 25.1759 25.4257 25.4797 25.5701 25.8021 25.8301 26.0305 26.1986 26.2964 26.3662 26.4668 26.5268 26.7080 26.7767 26.9023 26.9862 27.0951 27.1715 27.3755 27.5150 27.5408 27.6759 27.8521 27.9551 28.0631 28.1323 28.2475 28.2829 28.3592 28.6152 28.7403 28.8490 28.8856 28.9875 29.1423 29.2018 29.3209 29.4134 29.4724 29.5716 29.7293 29.8323 29.9627 29.9910 30.1259 30.2854 30.3983 30.4835 30.6525 30.7398 30.8185 30.9393 31.0067 31.1611 31.3457 31.4841 31.4947 31.6329 31.7983 31.8341 32.0565 32.1232 32.2290 32.4694 32.5672 32.6801 32.7578 32.8189 32.8625 33.0658 33.1078 33.2833 33.4531 33.5794 33.6368 33.7794 33.8732 33.9600 34.1702 34.2302 34.2907 34.7238 34.7756 34.9283 34.9770 35.0829 35.2800 35.3642 35.4598 35.5697 35.6291 35.7566 35.8742 35.9490 35.9696 36.0209 36.1060 36.3942 36.4196 36.5610 36.6922 36.8258 36.9289 37.0004 37.1474 37.2304 37.3228 37.4212 37.5483 37.6648 37.7619 37.8451 37.9244 38.0610 38.1191 38.1729 38.2212 38.3146 38.4061 38.6102 38.6670 38.7485 38.8900 38.9844 39.0453 39.1006 39.2314 39.3420 39.4002 39.5408 39.6274 39.6876 39.9327 40.0680 40.1714 40.2126 40.5752 40.6862 40.7801 40.9439 41.0782 41.1634 41.2514 41.3279 41.4760 41.5208 41.6303 41.8165 41.9812 42.0508 42.2275 42.3263 42.4069 42.5459 42.7381 42.7963 42.9452 43.0115 43.0295 43.2189 43.2537 43.4444 43.5306 43.6104 43.8069 43.8638 43.9549 44.0074 44.1222 44.1899 44.2287 44.3888 44.4774 44.6710 44.7386 44.9086 45.0080 45.1380 45.2615 45.3037 45.4810 45.6046 45.7761 45.8445 46.0887 46.1776 46.2036 46.3290 46.5044 46.7518 46.8265 46.8405 47.1125 47.1703 47.2960 47.3522 47.4588 47.5658 47.7080 47.8911 48.1337 48.2799 48.3008 48.3956 48.6827 48.8095 48.8152 49.0043 49.1368 49.3140 49.3370 49.5282 49.6497 49.7452 49.9817 50.1008 50.2921 50.6859 50.7901 50.9513 51.0279 51.2489 51.4776 51.6631 51.7333 51.8112 51.8965 52.0396 52.2151 52.2248 52.2962 52.5429 52.5877 52.6132 52.6780 52.7937 53.1744 53.4206 53.5556 53.6150 53.8325 54.0825 54.2518 54.5939 54.6397 54.8284 55.2291 55.3408 55.4464 55.6690 55.8454 55.8969 56.0051 56.1746 56.3419 56.4492 56.5382 56.6626 56.9354 56.9785 57.0833 57.3263 57.4247 57.4379 57.7663 57.8252 57.9488 58.1356 58.3420 58.5394 58.5698 58.6576 58.9042 59.3074 59.4284 59.4847 59.6354 59.7035 59.7481 59.8676 60.0003 60.1341 60.2815 60.4221 60.4836 60.6064 60.9244 61.3266 61.5313 61.6812 61.8082 61.9865 62.3192 62.4819 62.5268 62.5949 62.7707 62.9409 62.9960 63.2776 63.4664 63.5830 63.6558 63.8529 64.1130 64.1849 64.3778 64.4281 64.5908 64.6908 64.7730 64.9677 65.0300 65.1125 65.1465 65.2053 65.5242 65.6701 65.7691 66.0333 66.0828 66.1944 66.4157 66.6497 66.8966 67.0950 67.2848 67.3702 67.4215 67.4693 67.6358 67.6552 67.9798 68.1456 68.2948 68.6265 68.7471 68.8740 68.9970 69.2405 69.5146 69.6837 69.9606 70.2453 70.5610 70.8665 71.2101 71.2745 71.5439 71.7443 71.9898 72.0976 72.3703 72.5581 72.6196 72.7679 73.0666 73.5513 73.6608 73.8879 73.9470 74.0431 74.2003 74.3837 74.6083 74.7677 74.8072 74.9132 75.1370 75.3182 75.5815 75.6857 75.9579 76.1654 76.3541 76.6308 76.6829 76.8617 76.9154 76.9484 77.0912 77.1931 77.2252 77.3957 77.5588 77.6068 77.7929 77.9141 78.0689 78.1980 78.2536 78.3865 78.4447 78.6396 78.7231 78.8478 78.8997 78.9765 79.1541 79.2338 79.3199 79.3410 79.3824 79.4733 79.5292 79.6655 79.7642 79.9043 79.9161 80.1694 80.2389 80.3576 80.4421 80.8255 80.9203 81.0863 81.1923 81.2435 81.3657 81.4880 81.5612 81.6853 81.7143 81.8464 81.9396 81.9834 82.0645 82.1038 82.2708 82.4804 82.5106 82.5489 82.5884 82.7744 82.8996 82.9885 83.0108 83.1411 83.3894 83.5656 83.6690 83.7982 83.8219 83.9539 84.0862 84.2657 84.3868 84.4482 84.6117 84.6448 84.7140 84.8096 84.8594 84.9689 85.1014 85.2230 85.2857 85.3155 85.4010 85.4792 85.5096 85.5683 85.6620 85.7486 85.8798 86.1462 86.2776 86.3246 86.3657 86.4379 86.6580 86.8186 87.0467 87.3001 87.3156 87.5288 87.7034 87.7913 87.8819 88.0875 88.1196 88.2741 88.3810 88.4237 88.4840 88.5895 88.6687 88.7664 88.8651 88.9161 88.9843 89.0825 89.1830 89.2254 89.3782 89.4538 89.5160 89.6436 89.7527 89.8706 90.0339 90.0554 90.1403 90.1930 90.4038 90.4659 90.5552 90.6804 90.8695 91.0832 91.1688 91.1951 91.4147 91.4571 91.6910 91.7406 91.8273 91.8665 92.1033 92.1529 92.2480 92.3695 92.3997 92.4857 92.5712 92.7437 92.7939 92.8480 92.9613 93.0651 93.1170 93.1925 93.2770 93.3655 93.5324 93.5901 93.7062 93.7114 93.9413 93.9696 94.0163 94.1878 94.3982 94.5585 94.6337 94.6551 94.8020 94.9199 95.0038 95.0200 95.2873 95.3065 95.5858 95.7367 95.8211 96.0210 96.0739 96.2383 96.3153 96.4994 96.5742 96.7161 96.7497 96.8602 97.0781 97.1815 97.2427 97.3028 97.3491 97.5507 97.6211 97.7057 97.8393 97.8957 98.0140 98.0957 98.2719 98.3484 98.3675 98.6227 98.6556 98.7949 98.9763 99.0596 99.1586 99.2873 99.4507 99.6015 99.6425 99.8305 99.8479 100.2886 100.5818 100.6787 100.7483 100.8746 100.9420 101.1327 101.2803 101.5550 101.6672 101.8780 102.0514 102.0822 102.2089 102.4818 102.6119 102.7921 102.9768 103.0605 103.1768 103.5112 103.6854 103.8218 104.0422 104.0676 104.2255 104.3648 104.4375 104.6055 104.7075 104.9732 105.0785 105.1713 105.2429 105.3446 105.4038 105.5685 105.5881 105.6749 105.8044 105.9401 106.0102 106.1032 106.1935 106.3510 106.4417 106.6535 106.6919 106.7602 106.8362 107.0136 107.2349 107.3581 107.5548 107.6403 107.7500 107.8271 107.9943 108.3197 108.5033 108.5243 108.6697 108.7080 108.8191 108.9130 109.1938 109.2560 109.4482 109.5124 109.6033 109.7656 109.8481 109.9655 110.1101 110.3465 110.4947 110.5927 110.7582 110.8356 110.9021 111.0905 111.2322 111.3689 111.6286 111.6991 111.9576 112.1100 112.2371 112.3473 112.4575 112.5565 112.7629 112.9254 113.1193 113.3023 113.3698 113.4728 113.6045 113.7577 113.8802 114.0342 114.1665 114.3386 114.4492 114.4719 114.5527 114.7707 115.0398 115.1436 115.3240 115.5645 115.6257 115.6808 115.7305 115.9323 116.0289 116.2548 116.3556 116.4160 116.5729 116.6126 116.7085 116.9621 117.0622 117.1300 117.2487 117.3366 117.4442 117.6466 117.7026 117.7951 117.8469 118.0148 118.1044 118.2987 118.3820 118.4763 118.5313 118.6428 118.8612 118.9948 119.0400 119.1686 119.2201 119.4276 119.7407 119.7966 119.8756 120.0078 120.1933 120.3200 120.4242 120.4403 120.6187 120.9290 120.9705 121.2235 121.3381 121.4897 121.7625 121.9129 121.9964 122.4949 122.6693 122.9840 123.1342 123.3527 123.4525 123.6095 123.7387 123.7459 124.2429 124.3985 124.7483 124.8363 125.1998 125.3207 125.4647 125.9009 126.0694 126.1736 126.3833 126.6108 126.7837 126.9083 126.9467 127.1863 127.6268 127.7726 127.9082 128.0171 128.0734 128.2044 128.6586 128.7358 128.9092 128.9600 128.9992 129.3419 129.5990 129.7498 129.8148 130.2180 130.2354 130.4389 130.6730 130.8072 130.9510 130.9994 131.1464 131.2299 131.4940 131.5213 131.6089 131.7413 131.8118 131.9937 132.2485 132.4765 132.5440 132.7221 132.8974 133.0679 133.4429 133.7228 133.9170 134.2125 134.5112 134.8632 134.8878 135.0380 135.1821 135.3614 135.6269 136.1672 136.6146 137.0277 137.2007 137.5733 137.6221 137.7100 138.0893 138.2224 138.2854 138.4492 138.5989 138.9468 139.0263 139.1279 139.6056 139.6465 139.9226 140.0514 140.9613 141.0321 141.3839 141.7750 142.0211 142.1991 142.5212 142.8747 143.0272 143.2383 143.2708 143.5570 144.0435 144.0785 144.1286 144.1978 144.4054 144.9898 145.0978 145.3534 145.5736 145.7701 145.8922 146.0235 146.1653 146.3733 146.8416 147.0863 147.2889 147.4020 147.5093 147.6004 147.8209 147.9887 148.2521 148.5275 148.8015 148.9498 149.2630 149.4565 149.7053 149.9527 150.2413 150.2685 150.3801 150.5128 150.8901 151.4284 151.6501 151.9270 152.2012 152.5277 152.6424 153.1026 153.5606 153.7736 154.5778 154.7443 154.9404 155.0986 155.3056 156.5886 156.7915 156.8792 157.0668 157.2028 157.2948 157.3501 157.4632 158.2600 158.3852 158.8449 159.0066 159.2032 159.4112 159.5638 160.0597 160.3203 160.9449 161.0625 161.5425 161.8445 162.0182 162.1296 162.2388 163.0160 164.7346 165.2947 165.7979 167.6462 168.0531 169.6673 170.8298 171.4015 172.4538 172.5649 172.6875 173.6910 175.7608 176.0687 178.5677 178.7447 179.2198 180.3828 182.2467 182.7061 185.5946 185.8675 186.6839 188.9333 189.0639 189.3260 190.1035 190.8518 192.4653 192.8098 193.4187 195.5304 196.0787 196.3530 198.6665 200.2740 201.6219 204.6756 205.4860 206.4839 206.7362 213.1364 221.5643 222.6084 222.9641 223.4210 223.9913 224.3347 227.2140 227.5320 228.9322 229.6262 229.8000 235.9616 241.1787 247.8709 249.0732 294.8689 295.4224 297.4171 298.8954 312.5525 312.6514 613.2576 617.5744 618.4417 619.0599 625.7608 626.0787 629.0198 629.9522 631.1883 632.0333 632.7194 633.4225 634.0978 634.9146 635.1516 635.6552 636.4994 636.5730 636.7555 637.7274 640.9494 641.9106 642.6546 647.1456 650.4117 654.8314 655.4271 657.9984 707.7512 713.4850 877.0428 1200.3119 1213.0364 1214.7697 1563.1744 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 Cl F O O O N C C C C C C C C C C C C C C C C C C C C C 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 -0.086676 -0.071423 -0.182854 -0.262732 -0.384595 -0.287756 -0.003195 0.077474 0.032732 -0.114928 -0.239632 -0.251018 -0.157280 0.365641 0.037168 0.332313 0.093356 -0.024421 -0.148942 -0.199689 -0.268183 -0.137263 -0.125338 -0.153637 -0.107312 0.089115 0.140222 -0.156560 0.198636 0.225072 -0.153630 -0.197154 -0.103940 -0.098396 -0.135411 0.091979 0.079704 0.098435 0.096216 0.070887 0.090803 0.101937 0.088876 0.097181 0.120723 0.121096 0.130582 0.132190 0.121712 0.122139 0.123164 0.126934 0.134321 0.126804 0.129600 0.127245 0.127710 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 Cl F O O O N C C C C C C C C C C C C C C C C C C C C C 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 17.0867 17.0714 9.1829 8.2627 8.3846 8.2878 7.0032 5.9225 5.9673 6.1149 6.2396 6.2510 6.1573 5.6344 5.9628 5.6677 5.9066 6.0244 6.1489 6.1997 6.2682 6.1373 6.1253 6.1536 6.1073 5.9109 5.8598 6.1566 5.8014 5.7749 6.1536 6.1972 6.1039 6.0984 6.1354 0.9080 0.9203 0.9016 0.9038 0.9291 0.9092 0.8981 0.9111 0.9028 0.8793 0.8789 0.8694 0.8678 0.8783 0.8779 0.8768 0.8731 0.8657 0.8732 0.8704 0.8728 0.8723 17.0000 17.0000 9.0000 8.0000 8.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 -0.0867 -0.0714 -0.1829 -0.2627 -0.3846 -0.2878 -0.0032 0.0775 0.0327 -0.1149 -0.2396 -0.2510 -0.1573 0.3656 0.0372 0.3323 0.0934 -0.0244 -0.1489 -0.1997 -0.2682 -0.1373 -0.1253 -0.1536 -0.1073 0.0891 0.1402 -0.1566 0.1986 0.2251 -0.1536 -0.1972 -0.1039 -0.0984 -0.1354 0.0920 0.0797 0.0984 0.0962 0.0709 0.0908 0.1019 0.0889 0.0972 0.1207 0.1211 0.1306 0.1322 0.1217 0.1221 0.1232 0.1269 0.1343 0.1268 0.1296 0.1272 0.1277 1.2479 1.2355 1.1203 2.1323 2.1202 2.1197 3.1151 3.7524 3.8070 3.8970 3.9158 3.9146 3.8523 4.2171 3.9635 3.8294 3.6544 3.7064 4.0127 4.0201 4.0261 4.0312 4.0135 3.9481 3.9245 3.9505 3.7991 3.9311 4.0866 3.8159 3.9598 4.0385 3.9544 3.9355 3.9598 1.0476 1.0388 1.0031 1.0039 1.0092 1.0014 1.0208 1.0020 1.0173 1.0186 1.0268 1.0064 1.0155 1.0136 1.0136 1.0195 1.0073 1.0016 1.0120 0.9998 0.9988 0.9999 1.2479 1.2355 1.1203 2.1323 2.1202 2.1197 3.1151 3.7524 3.8070 3.8970 3.9158 3.9146 3.8523 4.2171 3.9635 3.8294 3.6544 3.7064 4.0127 4.0201 4.0261 4.0312 4.0135 3.9481 3.9245 3.9505 3.7991 3.9311 4.0866 3.8159 3.9598 4.0385 3.9544 3.9355 3.9598 1.0476 1.0388 1.0031 1.0039 1.0092 1.0014 1.0208 1.0020 1.0173 1.0186 1.0268 1.0064 1.0155 1.0136 1.0136 1.0195 1.0073 1.0016 1.0120 0.9998 0.9988 0.9999 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 1.1643 1.0220 1.1026 1.1386 0.8623 1.9282 1.0507 0.9200 3.0576 0.8873 0.8796 0.9612 0.9626 0.9102 1.0187 0.9890 1.0484 1.0205 0.9937 0.9903 0.9848 0.9897 0.9824 0.9907 1.8188 0.9515 0.9523 0.9233 0.9160 1.0006 1.3631 1.3650 1.3762 1.3852 1.4795 0.9513 1.4686 0.9662 1.3948 0.9712 1.3967 0.9696 1.3791 0.9364 1.4036 0.9618 1.3531 1.4680 0.9788 1.3776 1.4297 1.4397 0.9645 1.4336 0.9708 1.4304 0.9696 1.4311 0.9733 0.9752 0 14 1 25 2 28 3 13 3 15 4 13 5 26 5 29 6 20 7 8 7 9 7 10 7 11 8 9 8 12 8 35 9 13 9 36 10 37 10 38 10 39 11 40 11 41 11 42 12 14 12 43 14 16 15 17 15 20 15 44 16 18 16 19 17 23 17 24 18 21 18 45 19 22 19 46 21 25 21 48 22 25 22 49 23 26 23 47 24 27 24 50 26 28 27 28 27 51 29 30 29 31 30 32 30 52 31 33 31 53 32 34 32 54 33 34 33 55 34 56 -0.028459535 -2381.014041368599 -12.84130 12.95401 0.11271 -10.83193 11.13432 0.30240 -16.94583 16.00130 -0.94453 0.99814 2.53707