Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 Cl 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 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-.98,-2.2187,4.06;2.6082,.8404,-.5638;1.1887,.1022,-2.1283;-2.9352,1.9756,.1242;3.6611,3.8039,.449;2.4682,-1.4894,-.8268;2.3566,-2.5715,-1.907;1.608,-1.7371,.3991;3.3012,-2.2713,-3.0656;2.6742,-3.9376,-1.3104;2.0263,-.1243,-1.2952;2.1766,-1.7843,1.666;.2256,-1.8607,.2812;1.9307,2.0973,-.5063;1.3905,-1.9486,2.798;-.5743,-2.0215,1.4002;.7161,1.9684,.3793;.0182,-2.0578,2.6529;-.5466,2.0818,-.1809;.8699,1.6371,1.7226;-1.6625,1.8425,.6121;2.9087,3.0388,.0353;-.2531,1.4175,2.5016;-1.5233,1.5068,1.949;-3.2598,1.4529,-1.1029;-4.2249,2.133,-1.8327;-2.7069,.2722,-1.5831;-4.6443,1.6215,-3.0519;-3.1291,-.2207,-2.8102;-4.096,.447,-3.5494;3.5114,-1.4272,-.5029;1.3304,-2.5905,-2.2854;3.0864,-1.3177,-3.5486;4.3385,-2.2461,-2.7252;3.2258,-3.045,-3.8306;2.6662,-4.7032,-2.0868;1.9508,-4.2355,-.5513;3.6644,-3.9453,-.8494;3.2489,-1.6868,1.7792;-.2471,-1.8317,-.6927;1.6542,2.454,-1.5026;1.8478,-1.9772,3.7776;-1.6472,-2.1059,1.2931;-.6546,2.3478,-1.2252;1.8565,1.543,2.1593;-.1436,1.1549,3.545;-2.4012,1.3202,2.5538;-4.6484,3.0505,-1.4442;-1.9637,-.269,-1.0113;-5.4001,2.1512,-3.6167;-2.698,-1.1399,-3.1844;-4.421,.0536,-4.5031; 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 1714 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 220 Dim 1249 ENuc 3072.4408449458 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 4.921e-06 Time for diagonalization 0.366 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.361 sec Total time needed 0.738 sec 17 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-.98,-2.2187,4.06;2.6082,.8404,-.5638;1.1887,.1022,-2.1283;-2.9352,1.9756,.1242;3.6611,3.8039,.449;2.4682,-1.4894,-.8268;2.3566,-2.5715,-1.907;1.608,-1.7371,.3991;3.3012,-2.2713,-3.0656;2.6742,-3.9376,-1.3104;2.0263,-.1243,-1.2952;2.1765,-1.7843,1.666;.2256,-1.8607,.2812;1.9307,2.0973,-.5063;1.3905,-1.9486,2.798;-.5743,-2.0215,1.4002;.7161,1.9684,.3793;.0182,-2.0578,2.6529;-.5466,2.0818,-.1809;.8699,1.6371,1.7226;-1.6625,1.8425,.6121;2.9087,3.0388,.0353;-.2531,1.4175,2.5016;-1.5233,1.5068,1.949;-3.2598,1.4529,-1.1029;-4.2249,2.133,-1.8327;-2.7069,.2722,-1.5831;-4.6443,1.6215,-3.0519;-3.1291,-.2207,-2.8102;-4.096,.447,-3.5494;3.5114,-1.4272,-.5029;1.3304,-2.5905,-2.2854;3.0864,-1.3177,-3.5486;4.3385,-2.2461,-2.7252;3.2258,-3.045,-3.8306;2.6662,-4.7032,-2.0868;1.9508,-4.2355,-.5513;3.6644,-3.9453,-.8494;3.2489,-1.6868,1.7792;-.2471,-1.8317,-.6927;1.6542,2.454,-1.5026;1.8478,-1.9772,3.7776;-1.6472,-2.1059,1.2931;-.6546,2.3478,-1.2252;1.8565,1.543,2.1593;-.1436,1.1549,3.545;-2.4012,1.3202,2.5538;-4.6484,3.0505,-1.4442;-1.9637,-.269,-1.0113;-5.4001,2.1512,-3.6167;-2.698,-1.1399,-3.1844;-4.421,.0536,-4.5031; 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 "WATER" 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-.98,-2.2187,4.06;2.6082,.8404,-.5638;1.1887,.1022,-2.1283;-2.9352,1.9756,.1242;3.6611,3.8039,.449;2.4682,-1.4894,-.8268;2.3566,-2.5715,-1.907;1.608,-1.7371,.3991;3.3012,-2.2713,-3.0656;2.6742,-3.9376,-1.3104;2.0263,-.1243,-1.2952;2.1766,-1.7843,1.666;.2256,-1.8607,.2812;1.9307,2.0973,-.5063;1.3905,-1.9486,2.798;-.5743,-2.0215,1.4002;.7161,1.9684,.3793;.0182,-2.0578,2.6529;-.5466,2.0818,-.1809;.8699,1.6371,1.7226;-1.6625,1.8425,.6121;2.9087,3.0388,.0353;-.2531,1.4175,2.5016;-1.5233,1.5068,1.949;-3.2598,1.4529,-1.1029;-4.2249,2.133,-1.8327;-2.7069,.2722,-1.5831;-4.6443,1.6215,-3.0519;-3.1291,-.2207,-2.8102;-4.096,.447,-3.5494;3.5114,-1.4272,-.5029;1.3304,-2.5905,-2.2854;3.0864,-1.3177,-3.5486;4.3385,-2.2461,-2.7252;3.2258,-3.045,-3.8306;2.6662,-4.7032,-2.0868;1.9508,-4.2355,-.5513;3.6644,-3.9453,-.8494;3.2489,-1.6868,1.7792;-.2471,-1.8317,-.6927;1.6542,2.454,-1.5026;1.8478,-1.9772,3.7776;-1.6472,-2.1059,1.2931;-.6546,2.3478,-1.2252;1.8565,1.543,2.1593;-.1436,1.1549,3.545;-2.4012,1.3202,2.5538;-4.6484,3.0505,-1.4442;-1.9637,-.269,-1.0113;-5.4001,2.1512,-3.6167;-2.698,-1.1399,-3.1844;-4.421,.0536,-4.5031; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3044 GEPOL Volume 2945.1430 GEPOL Surface-area 1642.0308 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1706.64288158 3072.44084495 -4779.08372652 -8439.10675827 3660.02303175 -0.03712446 -3407.17906875 1700.53618717 2.00359104 110.000049202115 110.000049202115 220.000098404230 -142.761578121188 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.2867 -525.2206 -524.6612 -523.5616 -392.9788 -283.7481 -282.8374 -281.6752 -281.5693 -281.4771 -281.3276 -280.5312 -280.2875 -280.2807 -280.0524 -280.0240 -280.0149 -279.9651 -279.9417 -279.9413 -279.9155 -279.8963 -279.8192 -279.8070 -279.7885 -279.7576 -279.7152 -279.6145 -279.0609 -279.0493 -260.5591 -199.3904 -199.1615 -199.1526 -34.1670 -32.9573 -31.6662 -28.4895 -27.7210 -27.2100 -26.6754 -26.5647 -25.5891 -25.2070 -24.1463 -23.8797 -23.8581 -23.6582 -23.4722 -22.9735 -22.0917 -21.5589 -20.6127 -20.1805 -20.0143 -19.7556 -19.5006 -19.2136 -19.0687 -18.2877 -18.0424 -17.5411 -17.2616 -16.9983 -16.8783 -16.3914 -16.1950 -16.0931 -15.8443 -15.7145 -15.5459 -15.4088 -15.0749 -14.8039 -14.7689 -14.5997 -14.4394 -14.2590 -14.2001 -14.0180 -13.9563 -13.7732 -13.7184 -13.4508 -13.3606 -13.1392 -13.0690 -12.9025 -12.8188 -12.7051 -12.6439 -12.4245 -12.3881 -12.3200 -12.2073 -12.0967 -11.9948 -11.7085 -11.6017 -11.5109 -11.3660 -11.2900 -11.2025 -10.7411 -9.7155 -9.6659 -9.4631 -9.3987 -8.9485 -8.5000 0.8750 1.1007 1.3447 1.4113 1.7191 1.9967 2.3464 2.5567 2.8206 3.0356 3.3456 3.5617 3.7332 3.8570 4.1352 4.2821 4.3382 4.4808 4.5708 4.8258 4.8677 5.0348 5.0729 5.2100 5.3709 5.4261 5.5183 5.7165 5.7369 5.7987 5.8706 5.9374 6.1740 6.2390 6.3790 6.4194 6.6339 6.6881 6.7005 6.8174 6.9716 7.0037 7.1593 7.2846 7.3862 7.5516 7.5803 7.7465 7.8272 7.8640 7.9375 8.0146 8.1302 8.1705 8.2437 8.3790 8.4352 8.5134 8.6573 8.8295 8.8633 8.9069 9.0044 9.1041 9.2262 9.2705 9.3254 9.3450 9.4751 9.6235 9.7386 9.8431 9.9719 10.0709 10.1093 10.2085 10.4450 10.5227 10.6192 10.7208 10.8604 10.9182 11.0160 11.1300 11.1559 11.2326 11.4294 11.4645 11.5090 11.5822 11.6138 11.8375 11.9175 11.9796 12.0438 12.0576 12.2151 12.3080 12.4844 12.5053 12.5751 12.6322 12.7751 12.8515 12.9261 13.1198 13.2020 13.2848 13.4319 13.4711 13.5333 13.6369 13.6852 13.8268 13.8543 13.9159 14.0121 14.0526 14.1572 14.2383 14.3031 14.4802 14.5507 14.6264 14.6722 14.6865 14.7607 14.8561 14.9867 15.0966 15.1718 15.1914 15.3143 15.4137 15.4802 15.5221 15.6443 15.8423 15.8528 15.8856 15.9945 16.1627 16.1762 16.2923 16.3100 16.3740 16.5869 16.6941 16.7110 16.8714 16.9771 17.0578 17.2549 17.3601 17.4300 17.5844 17.6498 17.7379 17.9853 18.0433 18.1509 18.2174 18.3065 18.4987 18.5167 18.8280 18.8831 18.9374 18.9692 19.3417 19.3666 19.4729 19.6197 19.7445 19.8336 20.1864 20.3255 20.3699 20.4629 20.5330 20.7025 20.7322 20.8573 20.8878 21.1081 21.2676 21.3999 21.4662 21.6190 21.6270 21.7610 21.8676 21.9502 22.0339 22.1516 22.3080 22.3527 22.4006 22.5261 22.7381 22.8825 22.9894 23.1806 23.3241 23.3698 23.5901 23.6106 23.7104 23.8936 23.9752 24.0498 24.1518 24.3046 24.4180 24.5803 24.7807 24.9328 25.0136 25.1470 25.2755 25.4647 25.5623 25.6161 25.7026 25.8729 26.1131 26.1625 26.3930 26.4583 26.5089 26.7123 26.8319 26.9755 27.1045 27.1694 27.2102 27.4863 27.5417 27.6917 27.8918 27.9927 28.1125 28.2372 28.4967 28.6330 28.8866 28.9145 29.1776 29.3261 29.3467 29.4621 29.5259 29.6560 29.7131 29.8622 29.9090 30.0512 30.2461 30.3942 30.4707 30.5813 30.6984 30.8519 31.0590 31.1165 31.2550 31.2766 31.5357 31.6154 31.7655 31.8456 32.1811 32.2083 32.3203 32.4434 32.5791 32.7197 32.8927 32.9419 33.1316 33.1730 33.2060 33.4333 33.4585 33.5576 33.6381 33.8544 33.9142 34.1056 34.2383 34.3621 34.5231 34.6537 34.7060 34.9004 34.9925 35.1950 35.2132 35.3187 35.5565 35.6263 35.8638 35.9948 36.0775 36.2370 36.4228 36.6052 36.6988 36.8036 36.8305 36.9676 37.1058 37.2767 37.4048 37.4453 37.5456 37.7405 37.8343 37.9806 38.0797 38.1041 38.2525 38.2656 38.4171 38.5208 38.6624 38.7720 38.7774 38.9715 39.1115 39.2356 39.2685 39.3411 39.5227 39.5837 39.6700 39.8385 39.9579 40.1042 40.2533 40.3517 40.4863 40.6042 40.7324 40.8419 40.9935 41.1244 41.2693 41.4147 41.5936 41.6974 41.7369 41.7713 42.0044 42.0904 42.1668 42.3074 42.3514 42.5047 42.7243 42.8724 43.1038 43.2680 43.2826 43.3980 43.5527 43.7156 43.9051 44.0143 44.0968 44.2718 44.4760 44.6143 44.7832 44.8705 45.0244 45.0610 45.2504 45.2990 45.5751 45.6867 45.8035 46.0000 46.0490 46.1503 46.2636 46.3223 46.4143 46.5945 46.7012 46.8072 47.0482 47.1538 47.2303 47.4650 47.6347 47.7571 48.1098 48.1502 48.2961 48.4056 48.5243 48.6495 48.7545 48.8530 49.0452 49.1264 49.1649 49.3904 49.5886 49.7177 49.8355 49.9458 50.0103 50.1231 50.5914 50.6863 50.8675 50.9795 51.0722 51.1428 51.4301 51.6538 51.7452 51.9999 52.1580 52.2138 52.5767 52.7200 52.8042 52.9759 53.1223 53.1900 53.2726 53.4393 53.6294 53.9051 54.0246 54.3398 54.5719 54.7135 55.0861 55.2367 55.5648 55.8651 56.0300 56.0544 56.2167 56.4711 56.7299 56.9864 57.1251 57.1684 57.2173 57.3706 57.4720 57.5022 58.0036 58.1409 58.2650 58.3293 58.6649 58.7474 59.0364 59.3045 59.3831 59.6486 59.7687 59.8242 60.0370 60.1005 60.1943 60.3381 60.5180 60.7527 60.8555 61.1306 61.5221 61.8480 62.0077 62.2489 62.4022 62.5452 62.7765 63.1008 63.2898 63.5098 63.6327 63.8997 64.0501 64.1405 64.3484 64.5269 64.7347 64.8389 65.0254 65.2073 65.3946 65.5389 65.6344 65.6795 65.7846 66.0651 66.3092 66.3398 66.5559 66.6208 66.9787 67.0602 67.1770 67.4895 67.6104 67.7494 67.8877 68.0759 68.2049 68.4865 68.6145 68.9940 69.0754 69.3535 69.4762 69.5217 69.6740 69.7337 70.2368 70.7560 70.9782 71.5926 71.7854 72.0189 72.1897 72.6574 72.9484 73.1075 73.4377 73.5174 73.8186 74.0487 74.1908 74.2370 74.5289 74.7107 74.8055 75.1735 75.2010 75.3650 75.7878 75.9048 76.0534 76.3212 76.3619 76.3969 76.4969 76.5056 76.9383 77.0307 77.1616 77.2724 77.4175 77.7332 77.8316 77.8964 78.0916 78.2135 78.3395 78.6236 78.7122 78.8527 78.9359 79.1406 79.1789 79.3181 79.4465 79.4990 79.5688 79.6665 79.7313 79.9461 80.0490 80.1375 80.2345 80.4416 80.6291 80.7209 80.8185 80.9323 81.1306 81.2984 81.4505 81.6542 81.7475 81.8801 81.9772 82.1157 82.2382 82.3217 82.4091 82.5458 82.6055 82.7300 82.8933 83.1130 83.1671 83.2829 83.3854 83.6496 83.8110 83.9246 84.1075 84.1953 84.4436 84.7379 84.7878 84.8663 84.9714 85.0503 85.1535 85.2774 85.3102 85.4076 85.5891 85.7429 85.7922 85.8958 85.9515 85.9845 86.1279 86.3131 86.3249 86.3835 86.5313 86.6256 86.6322 86.7323 86.9822 87.0186 87.2207 87.3608 87.4531 87.6500 87.8316 87.8943 87.9386 88.0721 88.1805 88.2845 88.3212 88.5373 88.6889 88.7773 88.9647 89.0969 89.1959 89.3434 89.3486 89.5440 89.6332 89.8129 89.9443 89.9647 90.0655 90.2444 90.2973 90.5304 90.5836 90.6779 90.9046 91.0654 91.1312 91.2429 91.3756 91.5221 91.5945 91.7346 91.8587 92.2059 92.2303 92.3270 92.3806 92.5182 92.5839 92.8249 92.9055 93.0406 93.0646 93.2864 93.3125 93.4067 93.4574 93.6400 93.6669 93.7275 93.8859 93.9289 94.1343 94.2309 94.3107 94.3658 94.5125 94.5247 94.7660 94.9375 95.0151 95.0859 95.3058 95.4175 95.5204 95.5993 95.7341 95.8419 95.9864 96.0134 96.1921 96.2535 96.4094 96.5347 96.7460 96.7986 96.9403 97.1452 97.2865 97.2962 97.3596 97.5624 97.8086 97.9762 98.1117 98.1338 98.2263 98.3421 98.4446 98.6231 98.6440 98.8306 98.9608 99.1061 99.1168 99.3223 99.5318 99.6023 99.8368 99.8750 99.9194 100.1411 100.2392 100.3098 100.3427 100.4799 100.8575 100.9070 101.2549 101.3808 101.4626 101.7501 101.8202 102.0183 102.2490 102.3456 102.4707 102.6344 102.9646 103.0132 103.1592 103.4594 103.6272 103.7775 103.9554 104.4088 104.4714 104.5833 104.8252 105.0190 105.1093 105.1229 105.2297 105.5342 105.6522 105.6907 105.7325 105.7933 105.9876 106.1417 106.1606 106.3218 106.3597 106.6020 106.6315 106.7041 106.8430 107.0231 107.1010 107.2125 107.4505 107.5751 107.6312 107.7600 108.0470 108.1002 108.1617 108.4436 108.4811 108.6654 109.0624 109.0918 109.2096 109.2228 109.3795 109.5839 109.6678 109.9744 110.0397 110.2173 110.2729 110.3674 110.4797 110.7520 110.9708 111.0459 111.1917 111.2300 111.4674 111.6163 111.7448 112.0152 112.2059 112.2892 112.5403 112.8366 112.9728 113.1702 113.4472 113.4882 113.6374 113.8185 113.8775 114.1729 114.3770 114.4262 114.4878 114.7196 114.9983 115.1824 115.2500 115.3133 115.4588 115.8894 115.9530 116.1059 116.2229 116.2685 116.3874 116.4274 116.5459 116.7462 117.1084 117.1620 117.1804 117.3622 117.5508 117.7602 117.9723 118.0691 118.1649 118.2431 118.3267 118.3598 118.4699 118.6196 118.6707 118.7433 118.8846 119.1363 119.1695 119.2829 119.4023 119.4650 119.5831 119.7029 119.8071 120.0844 120.1997 120.4143 120.5441 120.7416 120.8883 121.0243 121.1254 121.1662 121.2949 121.3665 121.5172 121.6412 121.8395 122.0835 122.3869 122.6122 122.7065 122.8003 123.1118 123.3060 123.3562 123.5337 123.7970 124.0359 124.5674 124.6963 124.9341 125.0124 125.3375 125.8466 125.9512 126.2274 126.3548 126.3983 126.8763 126.9450 127.0857 127.3205 127.5739 127.8303 127.9529 128.0633 128.3198 128.4890 128.8037 129.1206 129.1935 129.3350 129.6782 129.7831 129.9896 130.2088 130.3217 130.4648 130.6235 130.7283 130.7982 130.9931 131.1518 131.5287 131.7201 131.9462 132.0163 132.0367 132.2774 132.2801 132.5871 132.6896 132.9307 133.0178 133.1822 133.2707 133.3726 133.5119 133.7488 134.2109 134.3790 134.7005 135.1685 135.2691 135.4039 135.5752 135.7138 135.8981 136.0277 136.1738 136.4606 137.1678 137.5082 137.7538 137.8433 138.2092 138.3648 138.6041 138.7685 138.8732 139.1654 139.4967 139.5611 139.8687 140.0647 140.2730 140.6324 140.9193 141.4269 141.6548 141.9858 142.5546 142.9059 143.0682 143.6660 144.0571 144.3767 144.5263 144.6309 144.8178 145.0146 145.1504 145.3621 145.5005 145.6191 145.7095 145.8784 146.3621 146.5791 146.9435 147.0801 147.1937 147.7701 147.8649 148.0662 148.2915 148.3148 148.5867 148.8988 148.9561 149.0881 149.2941 149.7211 150.1805 150.3121 150.4717 150.9027 151.1330 151.3647 151.5462 151.8070 152.6058 152.7244 152.9103 152.9565 153.3736 153.7622 154.3499 154.6614 154.7968 155.1659 155.5972 155.8085 156.2273 156.2879 156.5526 156.8672 157.1791 157.4210 157.6240 157.6548 157.8493 157.9955 158.6071 158.9895 159.2980 159.6881 159.7957 160.3153 160.3967 160.6588 160.9200 161.5885 161.7947 162.5171 162.6948 163.0042 163.4962 163.7130 164.3322 164.8443 166.9604 168.2946 169.2345 170.3816 171.2011 171.9155 172.3557 173.0390 173.8868 174.2383 174.8936 177.8563 178.3848 179.0841 179.4016 180.5008 181.7242 185.4828 186.5489 187.3914 187.5090 189.4410 189.8796 190.7208 192.1925 194.0037 195.5694 196.2208 198.3993 201.9978 204.5883 206.4941 206.8082 221.8026 223.1681 224.5157 227.5257 229.9394 295.6927 297.7748 313.2756 618.7140 619.0284 623.3272 628.1479 630.6623 631.5273 632.5709 633.6078 634.3218 634.6194 634.9698 635.2388 636.4396 636.7872 636.8656 637.4331 638.1385 638.9200 642.6405 643.5078 646.6295 648.7895 656.3623 657.5528 658.1862 714.0893 876.4414 1202.6730 1213.9826 1214.9130 -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 Cl 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 H H H H H H H H H H H H H H H H H H H H H H -0.100538 -0.277022 -0.440197 -0.339779 -0.099636 0.134682 0.064571 0.001265 -0.295609 -0.312432 0.335161 -0.183611 -0.222941 0.414699 -0.146719 -0.179288 0.070085 0.127091 -0.207895 -0.282490 0.305049 -0.225020 -0.085659 -0.251575 0.266631 -0.229945 -0.144549 -0.139989 -0.194273 -0.167561 0.100327 0.045880 0.095333 0.090213 0.094104 0.097773 0.097625 0.092186 0.139712 0.156795 0.139323 0.141373 0.142741 0.148780 0.147516 0.155836 0.147094 0.147416 0.145733 0.161111 0.159802 0.160819 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 Cl 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 H H H H H H H H H H H H H H H H H H H H H H 17.1005 8.2770 8.4402 8.3398 7.0996 5.8653 5.9354 5.9987 6.2956 6.3124 5.6648 6.1836 6.2229 5.5853 6.1467 6.1793 5.9299 5.8729 6.2079 6.2825 5.6950 6.2250 6.0857 6.2516 5.7334 6.2299 6.1445 6.1400 6.1943 6.1676 0.8997 0.9541 0.9047 0.9098 0.9059 0.9022 0.9024 0.9078 0.8603 0.8432 0.8607 0.8586 0.8573 0.8512 0.8525 0.8442 0.8529 0.8526 0.8543 0.8389 0.8402 0.8392 17.0000 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 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 -0.1005 -0.2770 -0.4402 -0.3398 -0.0996 0.1347 0.0646 0.0013 -0.2956 -0.3124 0.3352 -0.1836 -0.2229 0.4147 -0.1467 -0.1793 0.0701 0.1271 -0.2079 -0.2825 0.3050 -0.2250 -0.0857 -0.2516 0.2666 -0.2299 -0.1445 -0.1400 -0.1943 -0.1676 0.1003 0.0459 0.0953 0.0902 0.0941 0.0978 0.0976 0.0922 0.1397 0.1568 0.1393 0.1414 0.1427 0.1488 0.1475 0.1558 0.1471 0.1474 0.1457 0.1611 0.1598 0.1608 1.2043 2.1507 2.0476 2.0718 3.1104 3.6633 3.8100 3.4353 3.9279 3.9491 4.2596 3.9708 3.9416 3.7317 3.9690 3.9681 3.5284 3.7596 3.9589 3.9672 3.6814 4.0834 3.8259 3.9980 3.7010 3.9747 3.8443 3.8946 3.9362 3.8794 1.0383 1.0270 1.0125 1.0017 1.0043 1.0048 1.0001 1.0017 1.0042 0.9999 1.0172 1.0069 1.0085 1.0094 1.0099 0.9929 1.0077 1.0079 0.9892 0.9881 0.9918 0.9891 1.2043 2.1507 2.0476 2.0718 3.1104 3.6633 3.8100 3.4353 3.9279 3.9491 4.2596 3.9708 3.9416 3.7317 3.9690 3.9681 3.5284 3.7596 3.9589 3.9672 3.6814 4.0834 3.8259 3.9980 3.7010 3.9747 3.8443 3.8946 3.9362 3.8794 1.0383 1.0270 1.0125 1.0017 1.0043 1.0048 1.0001 1.0017 1.0042 0.9999 1.0172 1.0069 1.0085 1.0094 1.0099 0.9929 1.0077 1.0079 0.9892 0.9881 0.9918 0.9891 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.9920 1.1946 0.8539 1.9008 0.9296 0.9377 3.0573 0.9570 0.7710 0.9360 1.0219 0.9302 0.9298 0.9889 0.1050 1.3198 1.2746 0.9913 0.9886 0.9990 1.0004 0.9888 0.9898 1.4445 1.0096 1.4552 0.9939 0.8922 0.9341 0.9814 1.3673 0.9930 1.3342 1.0012 1.3524 1.3079 1.3761 0.9695 1.4233 0.9921 1.3920 1.3760 0.9899 1.0001 1.3801 1.3437 1.4328 0.9867 1.4177 0.9673 1.4002 0.9794 1.4179 0.9799 0.9847 0 17 1 10 1 13 2 10 3 20 3 24 4 21 5 6 5 7 5 10 5 30 6 8 6 9 6 31 7 10 7 11 7 12 8 32 8 33 8 34 9 35 9 36 9 37 11 14 11 38 12 15 12 39 13 16 13 21 13 40 14 17 14 41 15 17 15 42 16 18 16 19 18 20 18 43 19 22 19 44 20 23 22 23 22 45 23 46 24 25 24 26 25 27 25 47 26 28 26 48 27 29 27 49 28 29 28 50 29 51 -0.034553968 -1706.677435544983 8.30367 -8.41073 -0.10706 -14.10771 12.42459 -1.68311 -23.30180 22.58058 -0.72123 1.83426 4.66231