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 Cl F F F O O O 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 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 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.3796,-3.9376,.0775;-5.14,2.4688,-.6996;-6.0504,.8205,-1.7203;-6.0869,.8809,.4194;3.166,.1671,-.9177;2.4139,1.5135,1.149;-1.4019,-.2333,1.6267;-2.034,-1.7657,-2.588;4.4219,2.4537,1.4582;3.9495,-1.0201,.8146;-1.7142,-.9905,-.4802;-3.2335,.5113,.5069;3.9631,1.3308,-.6265;-.4839,-1.7077,-.3803;-4.0238,.3953,-.6098;-2.077,-.2364,.6221;3.4677,2.3921,-1.6049;5.4488,1.0801,-.8211;1.9163,-1.668,-.2321;.7056,-1.0063,-.4038;-2.4397,-1.0955,-1.6625;-3.6795,-.3594,-1.6637;3.6515,1.8172,.7919;-.4849,-3.085,-.2486;3.1375,-.8385,-.0529;1.9089,-3.0545,-.0942;-3.5727,1.354,1.6574;.7174,-3.7615,-.1272;-5.3374,1.1493,-.65;1.9505,1.8909,2.4437;1.4232,3.2839,2.4966;1.2963,4.1235,1.4786;3.7022,2.0936,-2.6273;2.3909,2.5452,-1.5297;3.9638,3.3423,-1.4115;5.8709,.4033,-.0822;5.6196,.6612,-1.8131;5.9934,2.0216,-.7669;.6855,.0686,-.5189;-4.302,-.4446,-2.54;-1.4159,-3.6362,-.2343;-2.6676,1.5617,2.2149;-3.9697,2.3097,1.3351;-4.2782,.8567,2.3194;.7222,-4.8392,-.0408;2.7332,1.7445,3.192;1.1516,1.1835,2.6759;1.1066,3.5879,3.4895;.8916,5.1151,1.6323;1.5881,3.8791,.4644; 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 1768 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 244 Dim 1255 ENuc 3610.4835275931 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 6.206e-06 Time for diagonalization 0.549 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.269 sec Total time needed 0.824 sec 17 9 9 9 8 8 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.3796,-3.9376,.0775;-5.14,2.4688,-.6996;-6.0504,.8205,-1.7203;-6.0869,.8809,.4194;3.166,.1671,-.9177;2.4139,1.5135,1.149;-1.4019,-.2333,1.6267;-2.034,-1.7657,-2.588;4.4219,2.4537,1.4582;3.9495,-1.0201,.8146;-1.7142,-.9905,-.4802;-3.2335,.5113,.5069;3.9631,1.3308,-.6265;-.4839,-1.7077,-.3803;-4.0238,.3953,-.6098;-2.077,-.2364,.6221;3.4677,2.3921,-1.6049;5.4488,1.0801,-.8211;1.9163,-1.668,-.2321;.7056,-1.0063,-.4038;-2.4397,-1.0955,-1.6625;-3.6795,-.3594,-1.6637;3.6515,1.8172,.7919;-.4849,-3.085,-.2486;3.1375,-.8385,-.0529;1.9089,-3.0545,-.0942;-3.5727,1.354,1.6574;.7174,-3.7615,-.1272;-5.3374,1.1493,-.65;1.9505,1.8909,2.4437;1.4232,3.2839,2.4966;1.2963,4.1235,1.4786;3.7022,2.0936,-2.6273;2.3909,2.5452,-1.5297;3.9638,3.3423,-1.4115;5.8709,.4033,-.0822;5.6196,.6612,-1.8131;5.9934,2.0216,-.7669;.6855,.0686,-.5189;-4.302,-.4446,-2.54;-1.4159,-3.6362,-.2343;-2.6676,1.5617,2.2149;-3.9697,2.3097,1.3351;-4.2782,.8567,2.3194;.7222,-4.8392,-.0408;2.7332,1.7445,3.192;1.1515,1.1835,2.6759;1.1066,3.5879,3.4895;.8916,5.1151,1.6323;1.5881,3.8791,.4644; 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" 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.3796,-3.9376,.0775;-5.14,2.4688,-.6996;-6.0504,.8205,-1.7203;-6.0869,.8809,.4194;3.166,.1671,-.9177;2.4139,1.5135,1.149;-1.4019,-.2333,1.6267;-2.034,-1.7657,-2.588;4.4219,2.4537,1.4582;3.9495,-1.0201,.8146;-1.7142,-.9905,-.4802;-3.2335,.5113,.5069;3.9631,1.3308,-.6265;-.4839,-1.7077,-.3803;-4.0238,.3953,-.6098;-2.077,-.2364,.6221;3.4677,2.3921,-1.6049;5.4488,1.0801,-.8211;1.9163,-1.668,-.2321;.7056,-1.0063,-.4038;-2.4397,-1.0955,-1.6625;-3.6795,-.3594,-1.6637;3.6515,1.8172,.7919;-.4849,-3.085,-.2486;3.1375,-.8385,-.0529;1.9089,-3.0545,-.0942;-3.5727,1.354,1.6574;.7174,-3.7615,-.1272;-5.3374,1.1493,-.65;1.9505,1.8909,2.4437;1.4232,3.2839,2.4966;1.2963,4.1235,1.4786;3.7022,2.0936,-2.6273;2.3909,2.5452,-1.5297;3.9638,3.3423,-1.4115;5.8709,.4033,-.0822;5.6196,.6612,-1.8131;5.9934,2.0216,-.7669;.6855,.0686,-.5189;-4.302,-.4446,-2.54;-1.4159,-3.6362,-.2343;-2.6676,1.5617,2.2149;-3.9697,2.3097,1.3351;-4.2782,.8567,2.3194;.7222,-4.8392,-.0408;2.7332,1.7445,3.192;1.1516,1.1835,2.6759;1.1066,3.5879,3.4895;.8916,5.1151,1.6323;1.5881,3.8791,.4644; 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 2870 GEPOL Volume 2961.3878 GEPOL Surface-area 1639.5997 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -2093.81331396 3610.48352759 -5704.29684155 -10057.60648547 4353.30964391 -0.04628852 -4180.63658239 2086.82326843 2.00334961 121.999872507755 121.999872507755 243.999745015510 -168.849493037161 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.4546 -675.9251 -675.9128 -675.9042 -524.9642 -524.9497 -523.4213 -523.3747 -523.1881 -523.1588 -394.8520 -394.5889 -287.3100 -284.2056 -283.8020 -283.6029 -283.3857 -282.5453 -282.1918 -281.9998 -281.4047 -281.3248 -280.7984 -280.6884 -280.4908 -280.4399 -280.4222 -280.3309 -279.9080 -279.5690 -279.4511 -279.3819 -260.7280 -199.5671 -199.3290 -199.3135 -39.8398 -37.2678 -37.2492 -34.2707 -33.6901 -33.3077 -32.3262 -31.5341 -31.4509 -30.4861 -29.6559 -28.0581 -26.5057 -25.9858 -25.8065 -24.9378 -24.5508 -24.2646 -23.2225 -23.0362 -22.8033 -22.1729 -21.7679 -21.5663 -21.1090 -20.5565 -20.2914 -19.9725 -19.8050 -19.7846 -19.3607 -18.8646 -18.5248 -18.2004 -17.5043 -17.3268 -16.9617 -16.8907 -16.7204 -16.5474 -16.4346 -16.3260 -16.2975 -16.1380 -15.8476 -15.7877 -15.7646 -15.3991 -15.3755 -15.2262 -15.1194 -14.9668 -14.9325 -14.8268 -14.8157 -14.7032 -14.5769 -14.3373 -14.2405 -14.0885 -13.9928 -13.8894 -13.5858 -13.5320 -13.3109 -13.2526 -13.2063 -13.1205 -12.8333 -12.6618 -12.5547 -12.4717 -12.2628 -12.1888 -11.7122 -11.3461 -11.2951 -11.2262 -10.8583 -10.5834 -10.5440 -10.5138 -9.9204 -9.7554 -9.4275 -9.3499 0.1495 0.4189 1.1083 1.9787 2.1006 2.2899 2.7409 3.0007 3.2507 3.5557 3.8957 4.2233 4.2589 4.4235 4.5576 4.6215 4.7169 4.8163 4.8639 4.9379 4.9602 5.1325 5.1864 5.2845 5.4649 5.6616 5.7882 5.8304 5.9658 6.0774 6.1284 6.1799 6.2588 6.3587 6.4385 6.4520 6.6333 6.7383 6.8301 6.9211 7.0382 7.1469 7.2894 7.3768 7.5367 7.6924 7.7838 7.8766 7.9997 8.0288 8.0993 8.2752 8.3382 8.5280 8.5504 8.7183 8.8041 8.8209 8.9400 9.0061 9.0623 9.0914 9.1535 9.3920 9.4523 9.6575 9.8328 9.8743 9.9980 10.1424 10.1883 10.2205 10.3418 10.4256 10.6038 10.6535 10.7301 10.8052 10.9018 11.1710 11.1785 11.2722 11.3682 11.4240 11.4436 11.5776 11.7319 11.8643 11.9021 11.9648 11.9920 12.1444 12.3373 12.3612 12.5025 12.5511 12.7156 12.7743 12.7882 12.9096 13.0645 13.1369 13.2021 13.3403 13.4712 13.5427 13.6444 13.6882 13.7289 13.8608 13.9480 14.0647 14.1353 14.1814 14.1988 14.3153 14.4842 14.5316 14.5648 14.7852 14.8106 14.9283 14.9576 14.9737 15.1541 15.1858 15.2528 15.4732 15.5901 15.6589 15.7705 15.8433 15.9335 16.1666 16.1858 16.2999 16.3586 16.4913 16.5957 16.8250 16.9630 16.9939 17.0568 17.1781 17.3034 17.3774 17.5631 17.6531 17.7083 17.7691 17.9061 18.1542 18.2387 18.4298 18.4744 18.5221 18.5643 18.7592 18.8856 18.9286 18.9873 19.1137 19.1833 19.3691 19.5327 19.6407 19.7306 19.9090 20.1860 20.2949 20.3851 20.5545 20.5730 20.7595 20.9921 21.1324 21.2397 21.3211 21.3676 21.4540 21.4803 21.5831 21.8373 21.9711 22.1478 22.3040 22.3502 22.4531 22.6074 22.6457 22.7780 22.9135 22.9812 23.0994 23.2957 23.3401 23.7018 23.8373 23.8607 23.9032 24.2380 24.4012 24.4413 24.5715 24.6662 24.7349 24.8203 25.0536 25.1282 25.2264 25.2906 25.5087 25.6533 25.7822 25.8832 26.0563 26.0879 26.2590 26.3668 26.4860 26.6049 26.8438 26.9896 27.0651 27.2400 27.4736 27.4966 27.7266 27.7334 27.8836 27.9552 28.0983 28.1157 28.2521 28.3434 28.5132 28.6005 28.7979 28.9019 28.9848 29.1037 29.2394 29.3363 29.5344 29.5776 29.7039 29.9192 30.0807 30.1984 30.2752 30.3122 30.4276 30.6644 30.7643 30.9066 31.0454 31.2839 31.3771 31.5635 31.6166 31.7876 31.8646 31.9873 32.1367 32.2817 32.4287 32.5487 32.6076 32.7733 32.8384 32.9224 33.1679 33.2501 33.5048 33.5916 33.7880 33.8539 33.9528 34.0598 34.2687 34.3256 34.3586 34.5244 34.7241 34.8283 34.9712 35.1088 35.2570 35.5614 35.7893 35.8823 35.9127 36.0736 36.3005 36.5227 36.5502 36.6815 37.0057 37.0630 37.1789 37.3052 37.6264 37.6676 37.8442 37.9251 37.9493 38.0606 38.2443 38.3750 38.4954 38.6639 39.0607 39.1641 39.3369 39.4078 39.5929 39.6726 39.8034 39.8991 40.1529 40.3159 40.3602 40.5151 40.6621 40.9528 41.1009 41.1598 41.2363 41.3295 41.6376 41.7192 41.8513 42.0414 42.1973 42.2897 42.3630 42.6183 42.7153 42.9624 42.9909 43.1295 43.2084 43.3881 43.4486 43.5063 43.8053 43.9466 43.9941 44.0937 44.1915 44.5152 44.5340 44.6993 44.8093 44.9623 45.0293 45.1201 45.2664 45.3794 45.4471 45.6183 45.7666 45.9282 46.0969 46.1337 46.2368 46.4902 46.7418 46.8390 46.9488 47.0773 47.2806 47.4494 47.5890 47.6979 47.8319 47.8616 48.1476 48.3853 48.5694 48.6688 48.7824 48.8960 49.0982 49.3027 49.5266 49.7345 49.7912 49.9425 50.2617 50.4608 50.5425 50.6209 50.8429 50.9054 51.1307 51.3026 51.3898 51.5469 51.7516 51.9030 52.1467 52.2012 52.3063 52.6458 52.8591 52.9175 53.1347 53.3044 53.5107 53.7114 53.9319 54.2369 54.2880 54.7405 54.9061 55.3757 55.5889 55.6499 55.8351 56.1087 56.1816 56.4741 56.5953 56.9354 56.9849 57.1935 57.3344 57.4597 57.6625 57.7165 57.9875 58.3267 58.3905 58.4926 58.6220 58.8418 58.9875 59.1059 59.2689 59.3358 59.5506 59.7787 59.8454 59.9366 60.0314 60.3438 60.5974 60.8291 61.0124 61.1572 61.3649 61.4088 61.6201 61.6688 61.8432 62.1370 62.3982 62.5192 62.7077 62.9408 63.0801 63.1874 63.3692 63.6083 63.6467 64.1287 64.2347 64.5569 64.7914 64.8428 65.0314 65.1104 65.2941 65.3658 65.5004 65.8100 65.9679 66.1653 66.3719 66.4338 66.7613 66.9365 67.0499 67.0833 67.3033 67.3740 67.5473 67.8250 67.9940 68.0661 68.3797 68.7755 68.8330 69.0487 69.4577 69.9329 69.9897 70.1568 70.5352 70.9219 71.2000 71.4772 71.5099 71.8895 72.0081 72.2179 72.4728 72.5309 72.7477 72.9593 73.2996 73.6431 73.7978 73.9121 74.2856 74.4139 74.6035 74.6926 74.9486 75.0850 75.5177 75.7433 76.0295 76.1567 76.1875 76.3354 76.5606 76.6503 76.8492 76.9012 76.9937 77.2921 77.4529 77.6364 77.7448 77.8735 78.0396 78.1270 78.2803 78.6185 78.8022 78.8173 78.8901 79.0373 79.2495 79.3900 79.5589 79.6063 79.8554 79.8998 79.9483 80.0683 80.1538 80.2670 80.3807 80.4206 80.6552 80.7522 81.0139 81.0869 81.1337 81.1901 81.2827 81.4554 81.6037 81.7235 81.7750 82.1065 82.2256 82.2670 82.4248 82.6658 82.7715 82.8818 82.9244 83.1220 83.1370 83.3280 83.4916 83.5858 83.7848 83.9674 84.1276 84.1513 84.3009 84.4480 84.7251 84.7563 84.9265 85.0778 85.1082 85.2816 85.4330 85.6139 85.6661 85.8052 85.8347 85.9760 86.0859 86.3484 86.3731 86.5027 86.6276 86.6814 86.9065 86.9938 87.1849 87.3615 87.4297 87.5557 87.6553 87.6676 87.9248 88.0338 88.0827 88.3017 88.5218 88.5658 88.7717 88.8292 88.9985 89.0247 89.2292 89.3268 89.4424 89.4597 89.8257 89.9529 90.2002 90.2353 90.2873 90.3734 90.5583 90.7033 90.8160 90.8457 91.0126 91.1204 91.2454 91.3743 91.4707 91.5727 91.6388 91.9134 91.9400 92.0974 92.2068 92.2929 92.5449 92.6313 92.7003 92.7857 92.8487 93.0947 93.3490 93.4450 93.5582 93.5889 93.8354 94.0766 94.1598 94.3031 94.4391 94.4936 94.6175 94.7982 94.8471 94.9098 94.9700 95.0840 95.3514 95.4337 95.5787 95.6035 95.7171 95.8853 96.0574 96.2003 96.4318 96.4845 96.6401 96.6909 96.8746 97.0568 97.2273 97.3638 97.4148 97.5450 97.7135 97.8307 97.9898 98.0582 98.2145 98.3104 98.5418 98.5917 98.9279 98.9661 99.0980 99.1542 99.3905 99.4674 99.5489 99.8871 100.0644 100.2283 100.3151 100.4246 100.5842 100.7733 100.8117 100.9477 101.1821 101.3233 101.4280 101.7588 101.8315 102.0971 102.2550 102.3948 102.4411 102.5374 102.7982 103.2245 103.2625 103.4534 103.6606 103.9436 104.1195 104.1519 104.3438 104.3730 104.6611 104.7924 104.8644 104.9491 105.0475 105.2131 105.3892 105.4580 105.5436 105.8282 105.9451 106.2666 106.3608 106.5108 106.8385 106.9159 107.0512 107.1592 107.4423 107.6631 107.7650 107.9413 108.1845 108.4016 108.4797 108.5553 108.7496 108.8726 108.9726 109.4579 109.5669 109.7821 109.8966 110.0540 110.2636 110.4302 110.5231 110.6611 110.7933 110.9733 111.1681 111.3346 111.5338 111.5943 111.7383 111.8211 112.0569 112.2687 112.4570 112.5474 112.9217 113.1087 113.2047 113.3994 113.6584 113.8395 113.9569 114.0868 114.1933 114.4595 114.5336 114.6791 114.8177 114.9691 115.0792 115.2798 115.2892 115.5182 115.8023 115.8924 116.0112 116.1705 116.2812 116.3277 116.4460 116.7373 116.7882 116.9772 117.2187 117.3635 117.5090 117.6036 117.7532 117.9450 118.0312 118.2500 118.5784 118.6730 118.8501 118.9686 119.0486 119.2533 119.3635 119.4276 119.4597 119.8587 120.0023 120.4008 120.5992 120.8031 121.1000 121.2188 121.6024 121.6968 122.0119 122.0839 122.3300 122.8263 123.0202 123.2134 123.4075 123.5067 123.7744 123.9002 124.1352 124.4940 124.6806 124.9965 125.1074 125.7163 125.9007 126.0941 126.2233 126.5772 126.7874 126.9804 127.4001 127.6509 128.0049 128.4606 128.6185 128.9007 129.2331 129.3525 129.4495 129.9718 130.3871 130.4405 130.6888 130.9770 131.0452 131.2773 131.5129 131.6385 131.6883 132.3220 132.7104 132.8170 132.9396 133.1555 133.3211 133.5631 133.7197 134.0513 134.1187 134.4100 135.2716 135.5144 135.7389 135.8825 135.9839 136.2823 136.4431 136.7610 137.1213 137.3756 137.6007 137.8265 138.0523 138.2691 138.4529 138.9696 139.4093 139.5571 140.0603 140.1853 140.3586 140.4421 140.7983 140.9858 141.2272 141.8423 142.3976 142.7428 142.8262 142.9921 143.1235 143.3394 143.4168 143.4374 143.7394 143.8783 144.0430 144.5181 144.5477 144.7327 145.1027 145.2079 145.3011 145.4059 145.4507 145.7165 146.1140 146.1689 146.4282 146.4792 146.6033 147.0042 147.6911 147.9226 148.2819 148.4093 148.5438 148.8133 148.8517 149.0845 149.2375 149.6911 149.8733 150.1189 150.1707 150.2334 150.3376 150.6592 150.8752 151.0533 151.2163 151.3370 151.3630 151.4472 151.7850 152.1812 152.5889 152.6519 152.8599 153.2587 153.3591 153.4155 153.5948 153.9779 154.3255 154.6698 155.3289 155.5647 155.8169 156.0126 156.2120 156.6657 156.7718 157.0509 157.2706 157.3813 157.4425 157.8379 158.0354 158.4877 158.9724 159.0662 159.3556 159.5938 160.6895 160.8617 161.5320 162.2370 162.9350 163.6388 163.9688 164.7677 165.5168 166.0651 166.6291 167.3895 168.3883 169.1287 169.2119 170.6646 170.9740 171.8156 172.3220 172.5950 173.0413 174.2673 175.3443 175.8882 176.2797 177.0173 177.2873 177.8201 178.0416 178.2778 179.1453 179.5165 179.5698 180.1996 180.7160 181.8201 183.3353 185.2948 185.7732 186.7145 187.0014 187.1142 187.6921 187.7761 188.1379 188.1644 188.2251 188.4009 188.4509 188.5491 188.6524 188.8335 188.9477 189.0161 189.2207 189.5302 191.2073 191.8991 192.1941 192.5676 192.9439 194.2099 194.2877 194.3352 195.0546 195.3699 195.7875 196.0079 196.1972 196.3492 196.7011 198.2101 198.4554 199.1300 201.1217 202.6577 203.0110 204.2323 204.8647 205.2206 206.7971 207.5518 208.3160 209.0866 210.0559 221.9931 223.5973 223.9103 227.5194 227.6516 228.5826 228.7661 230.0537 232.3130 233.2958 235.2141 238.9757 240.7791 241.5410 244.2069 245.7974 246.8707 247.1752 250.1871 251.1062 295.0636 298.0677 313.1414 615.2181 622.8221 623.4485 625.8212 626.4770 627.8529 632.0208 634.1003 636.9049 637.7858 638.1079 642.2098 643.3997 644.3198 645.7056 646.8282 647.3792 650.0356 650.4795 653.3603 715.2642 902.7870 907.3299 1199.4892 1199.6877 1200.8244 1201.2490 1212.0189 1214.5159 1558.5825 1559.8725 1564.9474 -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 Cl F F F O O O 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 H H H H H H H H H H H H H H H H H H -0.055603 -0.161812 -0.158399 -0.161308 -0.295410 -0.268469 -0.472238 -0.461535 -0.417202 -0.406847 -0.062489 -0.098689 0.352424 0.098338 0.009801 0.411417 -0.312664 -0.298262 0.109051 -0.174150 0.346062 -0.155220 0.291202 -0.193368 0.372691 0.023306 -0.199773 -0.097696 0.537255 0.096846 -0.184219 -0.269280 0.118086 0.114454 0.118099 0.113156 0.111067 0.106340 0.138451 0.139077 0.153765 0.115490 0.135357 0.140319 0.140242 0.113026 0.113949 0.133555 0.131895 0.119912 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 Cl F F F O O O 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 H H H H H H H H H H H H H H H H H H 17.0556 9.1618 9.1584 9.1613 8.2954 8.2685 8.4722 8.4615 8.4172 8.4068 7.0625 7.0987 5.6476 5.9017 5.9902 5.5886 6.3127 6.2983 5.8909 6.1741 5.6539 6.1552 5.7088 6.1934 5.6273 5.9767 6.1998 6.0977 5.4627 5.9032 6.1842 6.2693 0.8819 0.8855 0.8819 0.8868 0.8889 0.8937 0.8615 0.8609 0.8462 0.8845 0.8646 0.8597 0.8598 0.8870 0.8861 0.8664 0.8681 0.8801 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 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 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 -0.0556 -0.1618 -0.1584 -0.1613 -0.2954 -0.2685 -0.4722 -0.4615 -0.4172 -0.4068 -0.0625 -0.0987 0.3524 0.0983 0.0098 0.4114 -0.3127 -0.2983 0.1091 -0.1741 0.3461 -0.1552 0.2912 -0.1934 0.3727 0.0233 -0.1998 -0.0977 0.5373 0.0968 -0.1842 -0.2693 0.1181 0.1145 0.1181 0.1132 0.1111 0.1063 0.1385 0.1391 0.1538 0.1155 0.1354 0.1403 0.1402 0.1130 0.1139 0.1336 0.1319 0.1199 1.2649 1.1451 1.1526 1.1485 2.1511 2.1157 2.0346 2.0516 2.0956 2.0872 3.1272 3.3514 3.7280 3.6576 3.9745 4.2153 3.9245 3.9333 3.5899 4.1168 4.2136 3.8704 4.2322 4.1165 4.2388 3.9920 3.8551 3.9740 4.4135 3.8137 3.8264 3.9324 1.0052 1.0047 1.0051 1.0180 1.0042 1.0104 1.0365 1.0214 1.0034 1.0140 1.0030 0.9881 1.0087 1.0131 1.0014 1.0026 1.0034 1.0052 1.2649 1.1451 1.1526 1.1485 2.1511 2.1157 2.0346 2.0516 2.0956 2.0872 3.1272 3.3514 3.7280 3.6576 3.9745 4.2153 3.9245 3.9333 3.5899 4.1168 4.2136 3.8704 4.2322 4.1165 4.2388 3.9920 3.8551 3.9740 4.4135 3.8137 3.8264 3.9324 1.0052 1.0047 1.0051 1.0180 1.0042 1.0104 1.0365 1.0214 1.0034 1.0140 1.0030 0.9881 1.0087 1.0131 1.0014 1.0026 1.0034 1.0052 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 1.1306 1.1273 1.1491 1.1294 0.8414 1.2260 1.1679 0.8726 1.8750 1.8984 1.9791 1.9289 0.7918 1.1563 1.0989 1.2061 1.1533 0.8889 0.9189 0.9719 0.9361 1.4503 1.4204 1.6628 0.9867 0.9850 0.9796 0.9827 0.9776 0.9901 0.9767 1.4031 0.9406 1.3132 0.9609 1.1260 0.9636 1.4545 0.9740 1.4060 0.9721 0.9694 0.9749 0.9769 0.9530 0.9982 0.9669 1.8929 0.9820 0.9927 0.9941 0 25 1 28 2 28 3 28 4 12 4 24 5 22 5 29 6 15 7 20 8 22 9 24 10 13 10 15 10 20 11 14 11 15 11 26 12 16 12 17 12 22 13 19 13 23 14 21 14 28 16 32 16 33 16 34 17 35 17 36 17 37 18 19 18 24 18 25 19 38 20 21 21 39 23 27 23 40 25 27 26 41 26 42 26 43 27 44 29 30 29 45 29 46 30 31 30 47 31 48 31 49 -0.029483684 -2093.842797642934 30.15250 -33.12466 -2.97216 22.56998 -21.22685 1.34312 7.19250 -7.22840 -0.03590 3.26175 8.29071