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:-1.7984,1.2384,-1.0514;-3.1814,1.5061,4.0254;-1.5414,2.3715,5.118;-2.8345,3.625,3.9472;1.9856,-.4222,.1368;3.9359,.4254,.8424;-1.3431,-3.4694,-2.0603;1.0726,1.9243,-.6418;.822,-1.2103,3.1416;3.1527,1.754,-1.9625;2.5003,1.7722,-.5642;2.77,.5452,-2.8111;2.8591,3.057,-2.6971;2.9111,.5363,.2287;.3008,2.017,.4812;2.1133,-1.6083,.9002;-1.0811,1.7553,.442;.8296,2.3887,1.7247;1.4962,-2.751,.1306;-1.3304,2.2483,2.7765;-1.8826,1.8715,1.5569;.0317,2.5027,2.8467;.3396,-2.5423,-.6105;2.0863,-4.0054,.1871;-2.2142,2.4318,3.9632;-.2033,-3.6004,-1.3251;1.398,-1.3852,2.1633;1.5101,-5.0606,-.506;.3739,-4.8628,-1.2727;-1.5862,-2.3202,-2.7664;-.5935,-1.6787,-3.4981;-2.8906,-1.8496,-2.7771;-.9206,-.5511,-4.2371;-3.2047,-.7263,-3.5292;-2.2225,-.0686,-4.256;4.2297,1.7085,-1.7785;2.9338,2.6255,-.0355;1.6967,.4882,-3.0054;3.0809,-.4005,-2.3665;3.2596,.6138,-3.7832;1.8066,3.147,-2.9685;3.4384,3.1062,-3.6194;3.1249,3.9271,-2.0951;.6309,1.4928,-1.4401;3.1577,-1.8342,1.1338;1.8835,2.6059,1.8299;-2.9394,1.6567,1.4643;.4983,2.7968,3.7769;-.1346,-1.5689,-.636;2.989,-4.1589,.7648;1.963,-6.0422,-.4661;-.0658,-5.68,-1.8304;.4234,-2.0513,-3.5026;-3.6537,-2.3609,-2.2036;-.1488,-.0528,-4.8097;-4.2237,-.3614,-3.5381;-2.4696,.8104,-4.8366; 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 4063.5578704122 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 5.683e-06 Time for diagonalization 0.448 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.425 sec Total time needed 0.884 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:-1.7984,1.2384,-1.0514;-3.1814,1.5061,4.0254;-1.5414,2.3715,5.118;-2.8345,3.625,3.9472;1.9856,-.4222,.1368;3.9359,.4254,.8424;-1.3431,-3.4694,-2.0603;1.0726,1.9243,-.6418;.822,-1.2103,3.1416;3.1527,1.754,-1.9625;2.5003,1.7722,-.5642;2.77,.5452,-2.8111;2.8591,3.057,-2.6971;2.9111,.5363,.2287;.3008,2.017,.4812;2.1133,-1.6083,.9002;-1.0811,1.7553,.442;.8296,2.3887,1.7247;1.4962,-2.751,.1306;-1.3304,2.2483,2.7765;-1.8826,1.8715,1.5569;.0317,2.5027,2.8467;.3396,-2.5423,-.6105;2.0863,-4.0054,.1871;-2.2142,2.4318,3.9632;-.2033,-3.6004,-1.3251;1.398,-1.3852,2.1633;1.5101,-5.0606,-.506;.3739,-4.8628,-1.2727;-1.5862,-2.3202,-2.7664;-.5935,-1.6787,-3.4981;-2.8906,-1.8496,-2.7772;-.9206,-.5511,-4.2371;-3.2047,-.7263,-3.5292;-2.2225,-.0686,-4.256;4.2297,1.7085,-1.7785;2.9338,2.6255,-.0355;1.6967,.4882,-3.0054;3.0809,-.4005,-2.3665;3.2596,.6138,-3.7832;1.8066,3.147,-2.9685;3.4384,3.1062,-3.6194;3.1249,3.9271,-2.0951;.6309,1.4928,-1.4401;3.1577,-1.8342,1.1338;1.8835,2.6059,1.8299;-2.9394,1.6567,1.4643;.4983,2.7968,3.7769;-.1346,-1.5689,-.636;2.989,-4.1589,.7648;1.963,-6.0422,-.4661;-.0658,-5.68,-1.8304;.4234,-2.0513,-3.5026;-3.6537,-2.3609,-2.2036;-.1488,-.0528,-4.8097;-4.2237,-.3614,-3.5381;-2.4696,.8104,-4.8366; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 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:-1.7984,1.2384,-1.0514;-3.1814,1.5061,4.0254;-1.5414,2.3715,5.118;-2.8345,3.625,3.9472;1.9856,-.4222,.1368;3.9359,.4254,.8424;-1.3431,-3.4694,-2.0603;1.0726,1.9243,-.6418;.822,-1.2103,3.1416;3.1527,1.754,-1.9625;2.5003,1.7722,-.5642;2.77,.5452,-2.8111;2.8591,3.057,-2.6971;2.9111,.5363,.2287;.3008,2.017,.4812;2.1133,-1.6083,.9002;-1.0811,1.7553,.442;.8296,2.3887,1.7247;1.4962,-2.751,.1306;-1.3304,2.2483,2.7765;-1.8826,1.8715,1.5569;.0317,2.5027,2.8467;.3396,-2.5423,-.6105;2.0863,-4.0054,.1871;-2.2142,2.4318,3.9632;-.2033,-3.6004,-1.3251;1.398,-1.3852,2.1633;1.5101,-5.0606,-.506;.3739,-4.8628,-1.2727;-1.5862,-2.3202,-2.7664;-.5935,-1.6787,-3.4981;-2.8906,-1.8496,-2.7771;-.9206,-.5511,-4.2371;-3.2047,-.7263,-3.5292;-2.2225,-.0686,-4.256;4.2297,1.7085,-1.7785;2.9338,2.6255,-.0355;1.6967,.4882,-3.0054;3.0809,-.4005,-2.3665;3.2596,.6138,-3.7832;1.8066,3.147,-2.9685;3.4384,3.1062,-3.6194;3.1249,3.9271,-2.0951;.6309,1.4928,-1.4401;3.1577,-1.8342,1.1338;1.8835,2.6059,1.8299;-2.9394,1.6567,1.4643;.4983,2.7968,3.7769;-.1346,-1.5689,-.636;2.989,-4.1589,.7648;1.963,-6.0422,-.4661;-.0658,-5.68,-1.8304;.4234,-2.0513,-3.5026;-3.6537,-2.3609,-2.2036;-.1488,-.0528,-4.8097;-4.2237,-.3614,-3.5381;-2.4696,.8104,-4.8366; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3277 GEPOL Volume 3330.3316 GEPOL Surface-area 1782.8022 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2099.13073797 4063.55787041 -6162.68860839 -10961.52485818 4798.83624979 -0.03788541 -4190.92427674 2091.79353877 2.00350761 129.999570040572 129.999570040572 259.999140081144 -173.912925663622 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 -2765.4537 -675.3558 -675.3186 -675.2348 -525.3601 -524.6762 -523.6125 -393.0968 -392.9390 -286.5032 -283.7691 -282.9306 -281.7465 -281.5717 -281.5371 -281.5126 -281.2541 -281.2168 -280.6244 -280.3785 -280.3037 -280.2031 -280.1182 -280.0470 -280.0199 -279.9469 -279.9259 -279.9152 -279.8568 -279.8328 -279.8108 -279.7466 -279.6625 -279.2700 -279.2059 -260.7174 -199.5518 -199.3173 -199.3118 -39.1255 -36.6349 -36.5216 -34.3420 -33.0393 -31.7992 -29.5876 -28.4591 -27.6234 -27.2502 -26.7009 -26.4583 -25.6657 -25.3031 -24.2795 -24.1892 -23.7050 -23.6164 -23.4913 -23.1157 -22.6978 -21.9889 -21.8109 -20.7680 -20.3198 -20.1748 -20.0645 -19.9346 -19.6823 -19.1404 -19.1137 -19.0560 -18.4948 -18.3221 -18.1083 -18.0185 -17.8540 -17.3563 -16.9782 -16.5121 -16.2568 -16.1128 -16.0424 -15.8426 -15.8086 -15.7226 -15.6321 -15.3241 -15.2332 -15.1739 -14.9427 -14.8164 -14.7317 -14.7223 -14.6055 -14.4946 -14.3524 -14.2848 -14.2213 -14.0589 -14.0411 -14.0186 -13.9106 -13.6057 -13.4777 -13.2547 -13.1192 -12.9701 -12.8989 -12.7753 -12.7414 -12.5889 -12.4648 -12.4130 -12.1846 -12.1476 -12.0453 -11.9195 -11.8180 -11.7418 -11.7125 -11.6247 -11.5214 -11.3845 -10.6599 -9.7361 -9.5134 -9.4924 -9.3865 -8.5327 -8.2398 0.9228 1.1365 1.3541 1.4048 1.6198 1.8489 2.0157 2.6010 2.8704 2.9735 3.1202 3.4786 3.6250 3.7055 4.0870 4.1236 4.3361 4.4468 4.4715 4.6617 4.8675 4.9585 5.0020 5.1013 5.2240 5.3091 5.3724 5.4774 5.6282 5.6342 5.7132 5.8354 5.9123 6.0083 6.1066 6.2479 6.3319 6.3537 6.4898 6.5235 6.5937 6.7352 6.9114 6.9655 7.0204 7.1965 7.3024 7.3756 7.5067 7.5777 7.6867 7.7139 7.7950 7.8968 7.9503 8.0348 8.1503 8.1809 8.2111 8.3828 8.4585 8.5091 8.5891 8.6632 8.6867 8.8421 8.9242 9.0233 9.1508 9.2239 9.2582 9.3589 9.3902 9.4324 9.5073 9.5586 9.6630 9.7409 9.8595 9.9780 10.1046 10.2127 10.2288 10.2643 10.4091 10.5337 10.5783 10.7323 10.8368 10.8566 11.0034 11.1151 11.1809 11.2956 11.3561 11.4891 11.5216 11.6386 11.7529 11.7667 11.8410 11.9161 12.0268 12.0572 12.0825 12.2211 12.3539 12.5270 12.6272 12.6970 12.8205 12.9171 12.9594 13.0583 13.0701 13.2298 13.2817 13.3375 13.5556 13.5987 13.6063 13.6565 13.7546 13.9150 13.9492 14.0549 14.2104 14.2399 14.3098 14.3432 14.3956 14.4998 14.5534 14.5922 14.6628 14.6915 14.8430 14.9327 14.9977 15.1034 15.1695 15.2360 15.3063 15.3742 15.4455 15.5464 15.5956 15.6605 15.7505 15.7820 15.9282 15.9659 16.0201 16.1371 16.2135 16.2777 16.4874 16.5976 16.7234 16.8019 16.8283 16.8925 16.9836 17.1216 17.3770 17.4050 17.5724 17.5931 17.5938 17.7799 17.8379 17.9347 18.0655 18.1288 18.2003 18.3646 18.4323 18.6351 18.7449 18.7972 18.9713 19.0872 19.2336 19.3871 19.5548 19.6203 19.7137 19.8814 19.9368 20.0631 20.2382 20.2650 20.3657 20.4094 20.5214 20.6004 20.7056 20.7364 20.8297 20.9369 21.0651 21.1202 21.1624 21.3950 21.4913 21.6207 21.6387 21.7009 21.8233 21.8697 21.9951 22.0220 22.1852 22.2442 22.3964 22.4141 22.5355 22.7501 22.9595 23.0527 23.1182 23.2396 23.2673 23.3744 23.5330 23.6842 23.7726 23.9104 23.9367 24.1158 24.2047 24.2999 24.4522 24.5081 24.7018 24.8056 24.8363 24.9334 25.0330 25.1043 25.1328 25.2537 25.3484 25.4418 25.4766 25.6570 25.7974 25.9742 26.0017 26.1329 26.2053 26.4614 26.5839 26.7092 26.7991 27.0160 27.0702 27.1723 27.3460 27.4407 27.4832 27.5970 27.6716 27.7824 28.0203 28.0672 28.1883 28.2801 28.4005 28.5248 28.6093 28.8255 28.8927 28.9829 29.0522 29.1132 29.1849 29.4562 29.5796 29.6087 29.6817 29.7461 29.9362 30.0912 30.1953 30.2849 30.4176 30.5268 30.5971 30.9069 30.9546 31.1696 31.2787 31.3840 31.4749 31.5740 31.7227 31.8437 31.9015 32.0421 32.1258 32.1495 32.3765 32.5379 32.6532 32.7663 32.8623 32.9296 33.0635 33.1252 33.2697 33.4933 33.5070 33.5256 33.6827 33.9306 33.9724 34.0244 34.0767 34.1840 34.4865 34.5126 34.7312 34.8221 34.8976 35.1188 35.1804 35.2373 35.3537 35.4241 35.5917 35.7222 35.8439 36.0138 36.1279 36.2296 36.2988 36.4696 36.5266 36.6969 36.8365 36.9595 37.0310 37.0594 37.3965 37.4961 37.6180 37.6958 37.8720 37.9414 38.0012 38.1516 38.3344 38.3751 38.4401 38.6669 38.7292 38.8034 38.9114 39.0115 39.1634 39.2130 39.3149 39.4123 39.4333 39.4653 39.5557 39.7491 39.8241 39.9009 40.0989 40.2101 40.4127 40.5477 40.6087 40.6781 40.8209 40.8454 41.0063 41.1037 41.1794 41.4317 41.4820 41.6543 41.7346 41.8510 41.9169 42.1143 42.2707 42.4795 42.5579 42.8167 42.9585 43.1176 43.2324 43.3417 43.4359 43.6408 43.6628 43.7781 43.8904 43.9285 44.1184 44.1558 44.1743 44.4805 44.5824 44.6705 44.7752 44.7819 44.9913 45.1449 45.3153 45.4707 45.5735 45.7443 45.8480 45.9393 46.1150 46.2212 46.3442 46.4853 46.5787 46.6518 46.7769 46.9638 47.1193 47.1921 47.3297 47.4710 47.5332 47.7075 47.8541 47.9277 48.0757 48.1827 48.3302 48.4109 48.5863 48.7007 48.8983 49.0399 49.2557 49.4024 49.5263 49.5485 49.6207 49.7132 50.0200 50.0965 50.2669 50.3245 50.5497 50.7899 50.8822 50.9749 51.0660 51.2132 51.4764 51.6043 51.7712 52.0604 52.3465 52.4697 52.7110 52.8104 52.8938 53.2226 53.3559 53.3913 53.7382 53.9002 54.0644 54.1393 54.2229 54.4816 54.5069 54.8171 54.8627 55.1653 55.4970 55.5114 55.7152 55.8181 55.8973 55.9757 56.1797 56.2721 56.4225 56.5006 56.6577 56.7472 56.8935 56.9773 57.0744 57.2400 57.3732 57.5919 57.9252 58.0257 58.1211 58.3624 58.5640 58.6863 58.7753 58.9173 59.1227 59.2417 59.3656 59.6677 59.7809 59.8301 60.1728 60.2167 60.5087 60.5250 60.6000 60.6959 60.8332 60.9703 61.3529 61.6567 61.9722 62.1932 62.3428 62.3789 62.6961 63.1346 63.2053 63.4030 63.5110 63.6197 63.7273 63.8351 63.8728 64.1368 64.4140 64.6586 64.7595 64.9212 65.0404 65.1342 65.4337 65.5348 65.6444 65.7549 65.9600 66.1707 66.2304 66.4886 66.6349 66.7587 66.7884 66.9262 66.9973 67.2198 67.3284 67.3597 67.5127 67.7792 67.9243 67.9912 68.2851 68.3558 68.6170 68.9175 69.1090 69.2450 69.2729 69.6210 69.7331 69.7527 70.3269 70.4355 70.5721 70.7215 71.0157 71.2412 71.4996 71.5490 71.9773 72.1223 72.3455 72.4624 72.6250 72.7578 73.0217 73.1228 73.4306 73.6012 73.7936 74.1277 74.1430 74.5003 74.7393 75.0050 75.2144 75.2870 75.4120 75.6409 75.7334 75.8770 76.0528 76.1564 76.3411 76.5167 76.6086 76.7151 76.8877 76.9925 77.1497 77.2885 77.4132 77.6009 77.6732 77.9041 78.0300 78.2226 78.4447 78.5099 78.7169 78.7588 78.9910 79.0954 79.1507 79.2149 79.3194 79.3755 79.6034 79.6361 79.7638 79.8382 79.8958 79.9295 80.0229 80.1255 80.2298 80.2922 80.3409 80.5023 80.6677 80.7213 80.8785 80.9425 81.0827 81.3492 81.3851 81.4929 81.8694 81.9246 82.1020 82.2479 82.3990 82.4600 82.6825 82.7390 82.7699 82.8482 83.0023 83.0979 83.1475 83.1981 83.4148 83.4930 83.5460 83.6583 83.8946 83.9204 84.1301 84.1975 84.2861 84.3854 84.5911 84.6727 84.7397 84.8277 85.0052 85.0831 85.2934 85.3476 85.4334 85.4904 85.6729 85.7543 85.7814 85.9625 86.0372 86.1048 86.2383 86.2919 86.3223 86.4123 86.6433 86.7891 86.8672 87.0077 87.1374 87.1769 87.3856 87.4484 87.5961 87.7235 87.8141 87.9510 88.0253 88.1298 88.1505 88.2953 88.4420 88.5657 88.6167 88.8005 88.8566 88.8948 88.9827 89.0835 89.1523 89.2798 89.4841 89.5501 89.6947 89.7355 89.7967 89.9121 89.9981 90.0910 90.3092 90.4082 90.4707 90.5577 90.6657 90.6984 90.8769 90.9041 90.9998 91.2327 91.2855 91.3548 91.4883 91.6367 91.7250 91.8105 91.8674 91.9547 92.0473 92.3337 92.4832 92.5279 92.6029 92.7133 92.8284 92.8579 93.0937 93.1418 93.2385 93.3300 93.4679 93.4950 93.6711 93.7620 93.8429 93.9049 94.0579 94.0838 94.1387 94.3006 94.4346 94.5918 94.6243 94.8576 94.8707 95.1506 95.2618 95.3528 95.4448 95.4771 95.5960 95.7684 95.8919 95.9936 96.1866 96.2701 96.4616 96.5422 96.6416 96.7892 96.8614 96.9311 97.2212 97.3335 97.3980 97.5020 97.5790 97.7891 97.8406 97.9270 98.0083 98.1448 98.2828 98.3416 98.4105 98.5702 98.6928 98.7398 98.8393 98.9427 99.1575 99.1901 99.2876 99.4745 99.5774 99.6095 99.8581 99.8894 100.1119 100.3597 100.4454 100.5620 100.9181 100.9605 101.0585 101.1702 101.3157 101.3712 101.6337 102.0061 102.0571 102.2299 102.4070 102.4307 102.6420 102.8347 102.8444 103.2539 103.3567 103.6784 103.7560 103.8457 103.9654 104.1611 104.2110 104.5721 104.6383 104.7834 104.8414 104.9578 105.0185 105.1249 105.3862 105.4098 105.4545 105.5128 105.7740 105.9054 105.9277 106.0807 106.1780 106.2983 106.3323 106.3620 106.5400 106.6569 106.7706 107.0211 107.1676 107.2101 107.4136 107.5871 107.6116 107.9385 108.1265 108.2140 108.3376 108.4426 108.5517 108.6754 108.8248 108.9378 109.0637 109.1871 109.2847 109.4498 109.5568 109.7279 109.7685 109.8925 110.0842 110.2523 110.3458 110.4201 110.5005 110.5244 110.7185 110.8202 111.0850 111.1648 111.1990 111.4239 111.6353 111.7286 111.9046 111.9312 112.0201 112.1021 112.1972 112.3084 112.5696 112.6794 112.9045 113.1072 113.2530 113.6340 113.8105 113.8754 113.9957 114.1050 114.3762 114.5124 114.6043 114.7451 114.8772 115.0376 115.0809 115.1477 115.4019 115.5518 115.6467 115.6529 115.7596 116.0238 116.2428 116.3207 116.3872 116.6973 116.7896 116.8473 117.0725 117.2053 117.2772 117.3337 117.5138 117.5702 117.6837 117.8011 117.9307 117.9760 118.0916 118.2382 118.3404 118.4692 118.6191 118.7262 118.8332 118.8732 118.9656 119.2504 119.3781 119.5211 119.5948 119.6456 119.7710 119.9919 120.1428 120.2777 120.3085 120.5325 120.6273 120.6626 120.7078 120.7744 120.9488 121.1825 121.3812 121.5598 121.6577 121.7991 121.9498 122.0711 122.3243 122.5551 122.8908 122.9896 123.0485 123.4093 123.6549 124.2075 124.3917 124.4325 124.6015 124.7948 125.0584 125.3793 125.6204 125.7502 126.0301 126.2351 126.4652 126.5218 126.6396 126.8148 126.9534 127.2135 127.5413 127.7150 128.0449 128.4073 128.6470 128.8119 128.8505 129.1759 129.3900 129.5159 129.5813 129.6539 129.7952 129.9104 130.0589 130.2768 130.6294 130.7044 130.8506 130.8862 131.0164 131.3029 131.3166 131.6406 131.6604 131.9672 132.2350 132.4235 132.6127 132.7165 132.7833 132.9325 133.1093 133.2628 133.5230 134.1501 134.2336 134.3966 134.7787 134.8971 135.0056 135.0893 135.4027 135.7210 135.8183 136.1665 136.4056 136.4838 137.0644 137.3451 137.4685 137.6736 137.7759 138.0590 138.0927 138.3412 138.5807 138.7939 138.9711 139.4191 139.5727 139.7170 139.9237 140.1805 140.6628 140.9367 141.2767 141.3797 141.5444 141.9029 142.2474 142.7119 142.9269 143.2721 143.4931 143.7277 144.0174 144.0976 144.3879 144.4803 144.5122 144.9140 145.1239 145.2476 145.4955 145.8038 145.9701 146.1667 146.3960 146.5169 146.6422 147.3457 147.4326 147.6884 147.9085 148.1035 148.1517 148.3087 148.4135 148.6025 148.7268 148.8519 149.0240 149.3453 149.5439 149.8590 149.9141 150.3862 150.5211 150.6382 150.7735 150.9991 151.4112 151.5877 152.2200 152.5378 152.7049 152.9617 153.1484 153.3559 153.7992 154.1228 154.3302 154.5682 155.1199 155.3086 155.3417 155.6158 155.9116 156.1513 156.2974 156.8984 157.0777 157.2274 157.3464 157.6974 158.0096 158.2427 158.6650 158.7231 159.0147 159.0863 159.9860 160.2124 160.4030 161.0637 161.4205 161.6291 161.7323 161.8066 162.3344 162.6166 162.9326 163.3388 163.5594 164.3365 166.0217 166.9240 167.2548 168.9542 169.6924 170.6754 171.7447 172.1163 172.9280 173.0437 173.5250 174.5798 175.1835 176.7456 176.9707 177.8082 178.3197 180.1715 180.7231 181.5652 185.3817 186.3125 187.2369 187.3321 187.6166 187.9922 188.6549 188.7316 188.8333 188.9119 189.1297 189.2015 189.2585 189.6265 189.6784 189.7919 192.2282 192.4228 192.7078 192.7704 193.0831 194.6061 194.8084 195.4480 195.5728 196.4302 196.8142 198.8878 202.0827 202.7931 203.2385 205.0990 205.3605 206.5011 206.5357 208.0199 209.6039 210.0449 222.9838 224.4146 224.8915 227.9553 228.4392 228.7471 229.1190 230.5036 233.0337 233.2383 235.8271 238.8622 241.0014 241.2093 244.2822 245.8681 247.3324 247.6367 250.2977 251.7578 298.0626 300.8370 314.5868 616.9496 619.9648 620.7408 625.4962 629.4138 630.8882 631.9129 632.0609 633.3906 634.0618 634.4033 634.6981 635.2891 635.4445 636.2106 636.5980 636.6888 636.9410 638.0593 642.5980 643.5556 646.7101 649.9550 654.3323 657.4876 658.1659 721.1089 878.2763 905.8577 1199.5050 1214.2513 1215.0056 1558.6327 1559.4893 1561.8356 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 -0.109130 -0.185728 -0.183037 -0.186531 -0.243364 -0.406168 -0.326388 -0.233566 -0.085171 0.058394 0.108236 -0.276008 -0.296519 0.306934 0.156355 0.363217 0.016655 -0.199814 0.044134 -0.066487 -0.119474 -0.169395 -0.167470 -0.213143 0.551840 0.258871 -0.219950 -0.104414 -0.240795 0.286947 -0.188899 -0.233662 -0.146775 -0.139373 -0.178072 0.062405 0.132303 0.049629 0.093579 0.105199 0.084924 0.099547 0.096676 0.150793 0.133716 0.141261 0.127759 0.146825 0.112792 0.146177 0.159017 0.148413 0.159327 0.145296 0.160595 0.155530 0.155986 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 17.1091 9.1857 9.1830 9.1865 8.2434 8.4062 8.3264 7.2336 7.0852 5.9416 5.8918 6.2760 6.2965 5.6931 5.8436 5.6368 5.9833 6.1998 5.9559 6.0665 6.1195 6.1694 6.1675 6.2131 5.4482 5.7411 6.2199 6.1044 6.2408 5.7131 6.1889 6.2337 6.1468 6.1394 6.1781 0.9376 0.8677 0.9504 0.9064 0.8948 0.9151 0.9005 0.9033 0.8492 0.8663 0.8587 0.8722 0.8532 0.8872 0.8538 0.8410 0.8516 0.8407 0.8547 0.8394 0.8445 0.8440 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 -0.1091 -0.1857 -0.1830 -0.1865 -0.2434 -0.4062 -0.3264 -0.2336 -0.0852 0.0584 0.1082 -0.2760 -0.2965 0.3069 0.1564 0.3632 0.0167 -0.1998 0.0441 -0.0665 -0.1195 -0.1694 -0.1675 -0.2131 0.5518 0.2589 -0.2199 -0.1044 -0.2408 0.2869 -0.1889 -0.2337 -0.1468 -0.1394 -0.1781 0.0624 0.1323 0.0496 0.0936 0.1052 0.0849 0.0995 0.0967 0.1508 0.1337 0.1413 0.1278 0.1468 0.1128 0.1462 0.1590 0.1484 0.1593 0.1453 0.1606 0.1555 0.1560 1.2436 1.1124 1.1177 1.0985 2.1443 2.1129 2.0840 3.1973 3.0955 3.8319 3.8330 3.9574 3.9447 4.2330 3.8335 3.7474 3.8702 3.9042 3.6821 3.6611 4.0876 4.0148 3.9385 3.9707 4.4301 3.7528 4.0325 3.8908 4.0080 3.6798 3.8910 3.9869 3.8423 3.8502 3.8579 1.0237 1.0022 1.0068 1.0142 1.0069 1.0091 1.0041 1.0044 1.0463 1.0352 1.0139 1.0249 1.0099 1.0343 1.0009 0.9889 1.0054 0.9937 1.0068 0.9881 0.9904 0.9916 1.2436 1.1124 1.1177 1.0985 2.1443 2.1129 2.0840 3.1973 3.0955 3.8319 3.8330 3.9574 3.9447 4.2330 3.8335 3.7474 3.8702 3.9042 3.6821 3.6611 4.0876 4.0148 3.9385 3.9707 4.4301 3.7528 4.0325 3.8908 4.0080 3.6798 3.8910 3.9869 3.8423 3.8502 3.8579 1.0237 1.0022 1.0068 1.0142 1.0069 1.0091 1.0041 1.0044 1.0463 1.0352 1.0139 1.0249 1.0099 1.0343 1.0009 0.9889 1.0054 0.9937 1.0068 0.9881 0.9904 0.9916 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.0202 1.1264 1.1300 1.1280 1.1648 0.8796 1.9999 0.9599 0.9279 0.9314 1.2136 0.9670 3.0310 0.9126 0.9457 0.9426 0.9969 0.9422 0.9843 0.9806 0.9918 0.9984 0.9865 0.9981 0.9944 1.2429 1.2732 0.9076 0.9314 0.9848 1.4776 1.4824 0.9841 1.3418 1.3736 1.3818 1.3612 1.0081 0.9635 0.9760 1.3923 0.9711 1.4261 0.9841 1.3779 1.4340 0.9804 0.9820 1.3528 1.3843 1.4010 0.9691 1.4155 0.9904 1.3892 0.9824 1.3835 0.9932 0.9957 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 -0.037962943 -2099.168700916572 29.88759 -27.94687 1.94072 -8.87408 8.44069 -0.43339 -42.88986 39.53295 -3.35690 3.90167 9.91726