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:3.2313,-3.0011,-.3808;-6.9909,-.0211,.7331;-6.2831,1.7551,-.2693;-6.9576,.0692,-1.4055;2.1617,1.0479,.1979;5.4149,2.3082,-.1479;-2.1453,-.4994,1.8314;-2.601,-1.7703,-2.4865;4.6621,.7647,1.2861;3.3945,-.1389,-1.2423;-2.3607,-1.0843,-.3394;-4.1017,.0165,.7935;3.0692,2.1668,.1511;-1.0084,-1.5419,-.3344;-4.8824,-.1343,-.3257;-2.8309,-.5214,.832;2.6444,3.0678,1.3052;2.9479,2.9041,-1.1724;1.3416,-1.0347,-.4313;.0153,-.6164,-.3953;-3.0939,-1.2434,-1.508;-4.4401,-.7386,-1.4387;4.4688,1.6418,.4816;-.7308,-2.8968,-.2865;2.4178,-.0164,-.548;1.6141,-2.4025,-.393;-4.5666,.643,2.0363;.5841,-3.3265,-.3112;-6.2926,.421,-.3119;6.7873,1.9905,.1632;7.1997,2.5856,1.4676;7.6779,1.869,2.4758;2.6491,2.5357,2.256;3.3234,3.9161,1.3834;1.6418,3.4563,1.1259;3.326,2.3399,-2.0221;1.8984,3.1379,-1.3533;3.485,3.8501,-1.1265;-.2221,.4384,-.4397;-5.0565,-.8531,-2.3159;-1.5311,-3.6221,-.2244;-3.709,1.0282,2.5742;-5.2091,1.4899,1.8297;-5.0834,-.0754,2.6689;.8049,-4.3836,-.2638;7.3516,2.4311,-.6578;6.9418,.9108,.1419;7.1178,3.6645,1.5535;8.0055,2.337,3.3948;7.772,.7911,2.416; 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 3466.6310801206 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 6.363e-06 Time for diagonalization 0.548 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.268 sec Total time needed 0.823 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:3.2313,-3.0011,-.3808;-6.9909,-.0211,.7331;-6.2831,1.7551,-.2693;-6.9576,.0692,-1.4055;2.1617,1.0479,.1979;5.4149,2.3082,-.1479;-2.1453,-.4994,1.8314;-2.601,-1.7703,-2.4865;4.6621,.7647,1.2861;3.3945,-.1389,-1.2423;-2.3607,-1.0843,-.3394;-4.1017,.0165,.7935;3.0692,2.1668,.1511;-1.0084,-1.5419,-.3344;-4.8824,-.1343,-.3257;-2.8309,-.5214,.832;2.6444,3.0678,1.3052;2.9479,2.9041,-1.1724;1.3416,-1.0347,-.4313;.0153,-.6164,-.3953;-3.0939,-1.2434,-1.508;-4.4401,-.7386,-1.4387;4.4688,1.6418,.4816;-.7308,-2.8968,-.2865;2.4178,-.0164,-.548;1.6141,-2.4025,-.393;-4.5666,.643,2.0363;.5841,-3.3265,-.3112;-6.2926,.421,-.3119;6.7873,1.9905,.1632;7.1997,2.5856,1.4676;7.6779,1.869,2.4758;2.6491,2.5357,2.256;3.3234,3.9161,1.3834;1.6418,3.4563,1.1259;3.326,2.3399,-2.0221;1.8984,3.1379,-1.3533;3.485,3.8501,-1.1265;-.2221,.4384,-.4397;-5.0565,-.8531,-2.3159;-1.5311,-3.6221,-.2244;-3.709,1.0282,2.5742;-5.2091,1.4899,1.8297;-5.0834,-.0754,2.6689;.8049,-4.3836,-.2638;7.3516,2.4311,-.6578;6.9418,.9108,.1419;7.1178,3.6645,1.5535;8.0055,2.337,3.3948;7.772,.7911,2.416; 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" 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:3.2313,-3.0011,-.3808;-6.9909,-.0211,.7331;-6.2831,1.7551,-.2693;-6.9576,.0692,-1.4055;2.1617,1.0479,.1979;5.4149,2.3082,-.1479;-2.1453,-.4994,1.8314;-2.601,-1.7703,-2.4865;4.6621,.7647,1.2861;3.3945,-.1389,-1.2423;-2.3607,-1.0843,-.3394;-4.1017,.0165,.7935;3.0692,2.1668,.1511;-1.0084,-1.5419,-.3344;-4.8824,-.1343,-.3257;-2.8309,-.5214,.832;2.6444,3.0678,1.3052;2.9479,2.9041,-1.1724;1.3416,-1.0347,-.4313;.0153,-.6164,-.3953;-3.0939,-1.2434,-1.508;-4.4401,-.7386,-1.4387;4.4688,1.6418,.4816;-.7308,-2.8968,-.2865;2.4178,-.0164,-.548;1.6141,-2.4025,-.393;-4.5666,.643,2.0363;.5841,-3.3265,-.3112;-6.2926,.421,-.3119;6.7873,1.9905,.1632;7.1997,2.5856,1.4676;7.6779,1.869,2.4758;2.6491,2.5357,2.256;3.3234,3.9161,1.3834;1.6418,3.4563,1.1259;3.326,2.3399,-2.0221;1.8984,3.1379,-1.3533;3.485,3.8501,-1.1265;-.2221,.4384,-.4397;-5.0565,-.8531,-2.3159;-1.5311,-3.6221,-.2244;-3.709,1.0282,2.5742;-5.2091,1.4899,1.8297;-5.0834,-.0754,2.6689;.8049,-4.3836,-.2638;7.3516,2.4311,-.6578;6.9418,.9108,.1419;7.1178,3.6645,1.5535;8.0055,2.337,3.3948;7.772,.7911,2.416; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 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 2903 GEPOL Volume 2914.3154 GEPOL Surface-area 1636.5730 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.9s -2093.80602463 3466.63108012 -5560.43710475 -9771.44133461 4211.00422986 -0.06265407 -4180.61724654 2086.81122191 2.00335191 122.000046227889 122.000046227889 244.000092455778 -168.848339375279 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 -2765.4767 -675.8761 -675.8681 -675.8502 -525.0756 -524.9896 -523.4889 -523.3167 -523.2253 -523.2017 -394.8542 -394.6140 -287.2677 -284.2293 -283.8681 -283.6061 -283.4236 -282.5326 -282.1760 -282.0423 -281.4309 -281.2593 -280.8621 -280.6363 -280.5313 -280.4199 -280.4086 -280.3306 -279.8110 -279.5640 -279.5178 -279.4097 -260.7506 -199.5901 -199.3523 -199.3350 -39.7970 -37.2257 -37.1976 -34.2633 -33.7747 -33.3293 -32.3469 -31.6100 -31.3354 -30.4855 -29.6751 -28.0840 -26.5285 -25.9781 -25.8490 -24.9436 -24.5529 -24.2628 -23.2163 -23.0184 -22.7004 -22.1773 -21.7587 -21.6102 -21.1286 -20.5548 -20.1214 -19.9396 -19.7650 -19.7548 -19.3362 -18.6788 -18.4879 -18.1918 -18.0676 -17.3105 -16.9810 -16.7647 -16.5821 -16.5429 -16.4371 -16.2884 -16.2277 -16.1235 -15.8958 -15.8164 -15.7527 -15.6012 -15.4036 -15.2137 -15.1252 -14.9931 -14.9481 -14.8167 -14.7458 -14.6985 -14.5813 -14.5442 -14.2211 -14.1342 -13.9817 -13.7437 -13.5995 -13.5536 -13.3172 -13.2240 -13.0919 -13.0424 -12.8668 -12.5498 -12.5470 -12.3947 -12.2780 -12.1460 -11.6744 -11.4369 -11.3533 -11.2661 -10.8631 -10.7326 -10.6244 -10.5756 -9.9698 -9.8740 -9.4428 -9.3830 0.1813 0.3736 1.0706 1.9586 2.0058 2.1380 2.8042 2.9444 3.3779 3.6152 4.1211 4.2571 4.3459 4.4488 4.5365 4.6185 4.7650 4.8090 4.9237 4.9669 5.0429 5.0997 5.3399 5.4157 5.5465 5.6312 5.6502 5.7604 5.8565 5.9817 6.0086 6.0821 6.2020 6.3012 6.3851 6.4421 6.5187 6.5792 6.7716 6.8797 7.0434 7.1286 7.2034 7.2837 7.5107 7.5776 7.7772 7.8273 7.8655 8.0361 8.1933 8.2450 8.3114 8.4357 8.4823 8.5876 8.6319 8.8579 8.8960 9.0377 9.0744 9.1483 9.2310 9.3174 9.5090 9.5817 9.6523 9.6751 9.7295 9.9272 10.0151 10.1288 10.2209 10.2478 10.4425 10.5362 10.6531 10.8072 10.8501 10.9623 10.9979 11.1373 11.2055 11.3219 11.4586 11.4964 11.5015 11.6637 11.6925 11.7126 11.9716 12.1245 12.1869 12.2515 12.3918 12.4627 12.5225 12.7320 12.8147 12.8826 12.9665 13.0695 13.1623 13.2117 13.3050 13.4872 13.5222 13.6558 13.7351 13.7490 13.9949 14.0302 14.0409 14.1500 14.1686 14.2420 14.3514 14.4241 14.5124 14.6386 14.6850 14.7919 14.8680 14.9044 15.0288 15.0677 15.1614 15.2200 15.2870 15.3613 15.4729 15.5898 15.7429 15.8363 15.9845 16.0016 16.1323 16.2123 16.3653 16.4405 16.5765 16.6217 16.6508 16.9718 17.0825 17.1847 17.3568 17.4839 17.5221 17.7000 17.8269 17.8783 18.0212 18.1961 18.2529 18.2937 18.4880 18.5163 18.6598 18.7973 18.8876 18.9235 19.1890 19.3271 19.3890 19.5878 19.7765 19.9585 20.1241 20.2025 20.3033 20.3489 20.6040 20.6696 20.8543 20.8923 21.0429 21.2261 21.3252 21.4829 21.5712 21.6842 21.7550 21.9295 22.1046 22.1540 22.2296 22.3028 22.4601 22.5544 22.6674 22.8718 22.9001 22.9884 23.2584 23.3640 23.5177 23.6005 23.7435 23.8439 23.9298 23.9808 24.1834 24.4717 24.5787 24.6376 24.6908 24.8342 24.8796 25.1402 25.2033 25.3543 25.4542 25.6580 25.6847 25.7655 25.8375 26.0688 26.1745 26.2894 26.3551 26.4896 26.7259 26.8507 26.9246 26.9562 27.1821 27.3334 27.4889 27.5521 27.7045 27.7888 27.9375 28.0968 28.2115 28.3387 28.3941 28.4551 28.6058 28.7289 28.9210 29.1213 29.1888 29.3017 29.5947 29.7274 29.8558 29.9205 30.0530 30.2399 30.2915 30.4284 30.5599 30.6279 30.7504 30.7995 30.8405 31.0171 31.2400 31.3668 31.6728 31.6976 31.8295 31.8911 32.0031 32.2315 32.3063 32.3437 32.5446 32.7607 32.8506 32.9812 33.0987 33.2706 33.3917 33.4388 33.5264 33.6528 33.8580 33.9605 34.2535 34.3009 34.3740 34.4971 34.7572 34.9654 35.1550 35.2235 35.4216 35.5886 35.7388 35.8408 35.9695 36.0910 36.3871 36.4356 36.5861 36.6611 36.8585 37.0854 37.2772 37.4460 37.5290 37.5956 37.6822 37.7835 38.0173 38.2334 38.2970 38.3632 38.5618 38.6970 38.9057 38.9175 39.0669 39.1998 39.5784 39.6820 39.8072 39.9648 40.1724 40.2626 40.5450 40.5914 40.6922 40.9138 41.0735 41.3270 41.4096 41.5666 41.6050 41.7371 41.8401 42.0344 42.1741 42.2695 42.4448 42.5067 42.6659 42.8639 42.9654 43.0819 43.1897 43.1971 43.3511 43.4548 43.5098 43.7486 43.8879 43.9845 44.2447 44.2920 44.4394 44.5216 44.7140 44.8499 44.9881 45.0772 45.1568 45.2033 45.3170 45.4316 45.5470 45.6244 45.8327 46.0111 46.0239 46.3626 46.5557 46.7052 46.7640 46.8552 47.3137 47.4054 47.6079 47.6465 47.7960 47.9188 48.1162 48.1985 48.4887 48.6017 48.7042 49.0051 49.1470 49.2578 49.5073 49.5790 49.6910 49.9848 50.1767 50.2914 50.5567 50.7515 50.8526 51.1064 51.1643 51.4117 51.4624 51.6218 51.9568 52.1221 52.2153 52.3388 52.5536 52.7682 52.9960 53.1013 53.1534 53.3988 53.4439 53.6224 53.9045 54.0600 54.4208 54.6986 55.1609 55.4957 55.5847 55.7004 55.7468 55.9733 56.0738 56.4669 56.5157 56.6984 57.0492 57.2096 57.3298 57.3625 57.4130 57.6104 57.8666 58.0080 58.2336 58.3428 58.5215 58.7786 58.8137 59.0033 59.1229 59.2926 59.6447 59.7535 59.9892 60.0832 60.2000 60.5919 60.6959 60.8445 60.9860 61.3310 61.5251 61.7570 61.8301 62.0395 62.0928 62.2626 62.5742 62.7503 62.9395 63.0587 63.0840 63.2301 63.3168 63.4581 63.5737 63.8510 64.1781 64.5800 64.6556 64.7117 65.0640 65.1734 65.3698 65.4231 65.7302 65.9057 65.9414 66.1881 66.3471 66.5388 66.5803 66.8018 66.9057 67.0918 67.2869 67.5335 67.6816 67.7911 67.8918 68.1603 68.4465 68.9086 69.0547 69.1437 69.5913 70.1801 70.2622 70.5232 70.8603 71.0024 71.2561 71.3694 71.5259 71.7512 72.0031 72.0916 72.4564 72.6231 72.9612 73.1789 73.5797 73.6197 74.0202 74.1611 74.2150 74.4167 74.4902 74.7945 75.0973 75.2204 75.3304 75.6668 75.9523 76.0357 76.3767 76.5063 76.5446 76.6547 76.6987 76.8842 77.1166 77.2800 77.3269 77.5940 77.7397 78.0360 78.2318 78.3381 78.4574 78.6975 78.8407 78.9887 79.0674 79.1625 79.2711 79.3790 79.4145 79.5362 79.8496 79.9143 79.9549 80.1141 80.1898 80.2000 80.4666 80.6015 80.7415 80.7658 80.9113 81.0097 81.2715 81.2970 81.4196 81.5746 81.6700 81.8009 82.0153 82.1240 82.2557 82.3528 82.4500 82.5837 82.8757 82.8988 83.0155 83.0895 83.1997 83.2543 83.4102 83.6383 83.7554 83.8266 84.0637 84.1570 84.2978 84.4585 84.6112 84.7141 84.8118 85.0029 85.1637 85.2199 85.3832 85.4723 85.6610 85.7909 85.8181 85.8612 86.0061 86.1803 86.3032 86.5053 86.5472 86.6790 86.9895 87.0943 87.1684 87.2763 87.4410 87.5165 87.6701 87.8247 87.9590 88.0748 88.1332 88.2541 88.3218 88.4885 88.5324 88.8603 88.9746 89.0518 89.1242 89.3278 89.3944 89.5005 89.7340 89.7576 89.9893 90.0566 90.1100 90.2639 90.3644 90.5135 90.6855 90.7575 90.9136 90.9262 91.2199 91.2966 91.3782 91.5818 91.6946 91.9769 92.0392 92.1988 92.3422 92.4538 92.6503 92.7187 92.7872 92.8477 92.9038 93.0378 93.2400 93.4322 93.5983 93.6121 93.8472 93.9456 94.1581 94.2152 94.3429 94.3894 94.5605 94.6406 94.7469 94.8747 95.0262 95.1205 95.2047 95.4908 95.5411 95.6469 95.7635 95.8469 96.0778 96.2026 96.3002 96.5125 96.6929 96.8127 96.9442 97.0313 97.2236 97.3451 97.6017 97.6510 97.7486 97.8632 98.0282 98.2028 98.4112 98.4294 98.5560 98.7696 99.0764 99.1093 99.3020 99.5044 99.5890 99.7950 99.8926 100.0029 100.0563 100.2063 100.3872 100.4463 100.5548 100.7945 100.8838 101.0680 101.1131 101.3660 101.7117 101.8034 102.0373 102.0764 102.2052 102.2644 102.5073 102.7791 103.0094 103.0811 103.2603 103.3958 103.6231 103.9728 104.1240 104.1851 104.3916 104.4787 104.5637 104.6933 104.8385 104.8948 105.0747 105.1716 105.1893 105.4705 105.8233 105.8841 106.0657 106.2741 106.3568 106.5106 106.7652 106.8962 107.1601 107.2318 107.3911 107.6629 107.9146 108.0497 108.2389 108.3136 108.4591 108.6587 108.8891 109.0003 109.5044 109.6342 109.9222 109.9654 109.9925 110.2719 110.5126 110.5965 110.7776 110.8237 110.9428 111.0411 111.3743 111.4553 111.6198 111.7247 111.8760 112.0508 112.1663 112.2263 112.4722 112.5345 112.8965 112.9770 113.1441 113.2013 113.2658 113.8794 113.9991 114.1519 114.2243 114.2751 114.4658 114.8418 114.9057 114.9638 115.2101 115.3564 115.4301 115.5959 115.6725 115.7837 116.0636 116.1970 116.2300 116.4022 116.6598 116.7204 116.9446 117.1475 117.2275 117.3917 117.4619 117.5643 117.6694 117.7777 118.0488 118.2260 118.3850 118.4157 118.7950 118.9568 119.0640 119.2516 119.4062 119.5449 119.8019 120.0129 120.1059 120.5009 120.5803 120.9832 121.2149 121.4252 121.6812 121.8358 121.9117 122.0818 122.2926 122.4439 122.7219 123.3426 123.3537 123.5792 123.8326 124.1948 124.7166 124.9389 125.1852 125.5950 125.9177 125.9718 126.3451 126.4232 126.5777 126.8226 127.0440 127.2191 127.5242 127.7754 127.8575 128.3545 128.5575 128.9131 129.0547 129.5634 129.6291 129.8722 129.9424 130.3080 130.5711 130.7390 130.9190 131.1329 131.1719 131.7500 131.8465 132.4967 132.6894 132.9513 133.0112 133.1741 133.2568 133.5763 133.7118 133.9280 133.9960 134.5432 135.3855 135.5009 135.6115 136.0594 136.2772 136.4284 136.9144 137.0059 137.5071 137.5192 137.9792 138.1119 138.2193 138.5124 138.5464 139.0613 139.5736 139.8061 140.1113 140.4339 140.9791 140.9987 141.2579 141.4207 141.8209 142.3796 142.6759 142.8516 143.0159 143.1490 143.3245 143.4111 143.6321 143.8410 143.9746 144.2067 144.4641 144.5967 144.7202 144.8365 145.0475 145.1135 145.2735 145.5764 145.7842 146.1353 146.1887 146.3196 146.6127 146.7605 147.3886 147.5157 147.7844 148.2267 148.4052 148.5220 148.7015 148.7567 149.1231 149.2298 149.5976 149.8660 149.9871 150.0388 150.1548 150.1961 150.7139 150.8080 150.8909 150.9761 151.1287 151.3423 151.4380 151.6715 151.8334 152.2062 152.4780 152.7856 153.0597 153.1159 153.3362 153.5474 154.3155 154.4427 154.7026 155.1565 155.5499 155.6572 155.8072 156.0577 156.4654 156.6332 156.7480 156.8510 157.4848 157.5347 157.6925 158.0508 158.3939 158.9888 159.0473 159.2616 159.7759 160.5957 160.9735 161.4347 161.5194 161.8789 163.7484 163.9083 164.6392 165.3931 166.0358 166.6159 167.3520 168.3014 168.9527 169.4560 170.4429 170.9450 171.6320 172.0670 172.4998 172.9256 174.1211 174.2548 174.7480 175.7843 176.9759 177.4324 177.6650 177.7850 178.4592 178.6532 179.0009 179.2189 179.4887 181.5404 182.7343 183.1026 185.1592 185.3950 185.9873 186.5262 186.8943 187.0384 187.6264 187.9975 188.1916 188.2527 188.4603 188.4838 188.5750 188.5955 188.6938 188.9143 188.9707 189.0507 189.2841 191.3565 191.9418 192.1352 192.2474 192.9516 193.3676 194.1765 194.2028 194.3823 195.2619 195.4045 195.7076 195.8564 196.1192 196.5966 198.1473 198.7517 198.8679 200.9630 202.6994 203.0831 204.1027 204.8871 205.4176 206.7785 206.8626 207.6153 209.1879 210.1252 222.0238 223.6136 223.7604 227.5007 227.5998 228.5549 228.8690 230.0842 232.3730 233.4023 235.3078 238.9593 240.8279 241.6079 244.2372 245.8833 246.8799 247.2408 250.2181 251.2189 295.0347 298.1710 313.1011 615.3562 623.4473 623.5621 625.9106 626.7673 628.2009 631.9919 634.1556 635.8968 636.6370 637.6708 641.4896 643.3872 644.3962 645.6921 646.6945 647.7837 649.8335 651.1206 653.4864 715.4023 902.8618 907.4923 1199.6204 1199.6874 1200.0959 1200.4772 1210.3566 1214.0186 1558.6391 1559.9262 1565.1898 -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 -0.056528 -0.161040 -0.161961 -0.159047 -0.287883 -0.270196 -0.494269 -0.497434 -0.462983 -0.437898 -0.050816 -0.100125 0.321342 0.054794 0.015813 0.428140 -0.289700 -0.305877 0.060764 -0.143381 0.369946 -0.151255 0.345030 -0.176192 0.424743 0.042349 -0.188168 -0.113234 0.535154 0.076614 -0.205662 -0.246890 0.115941 0.110974 0.114107 0.114919 0.113239 0.109959 0.148863 0.138712 0.160185 0.116134 0.129314 0.141888 0.142060 0.118701 0.110568 0.144411 0.134478 0.121401 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 17.0565 9.1610 9.1620 9.1590 8.2879 8.2702 8.4943 8.4974 8.4630 8.4379 7.0508 7.1001 5.6787 5.9452 5.9842 5.5719 6.2897 6.3059 5.9392 6.1434 5.6301 6.1513 5.6550 6.1762 5.5753 5.9577 6.1882 6.1132 5.4648 5.9234 6.2057 6.2469 0.8841 0.8890 0.8859 0.8851 0.8868 0.8900 0.8511 0.8613 0.8398 0.8839 0.8707 0.8581 0.8579 0.8813 0.8894 0.8556 0.8655 0.8786 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 -0.0565 -0.1610 -0.1620 -0.1590 -0.2879 -0.2702 -0.4943 -0.4974 -0.4630 -0.4379 -0.0508 -0.1001 0.3213 0.0548 0.0158 0.4281 -0.2897 -0.3059 0.0608 -0.1434 0.3699 -0.1513 0.3450 -0.1762 0.4247 0.0423 -0.1882 -0.1132 0.5352 0.0766 -0.2057 -0.2469 0.1159 0.1110 0.1141 0.1149 0.1132 0.1100 0.1489 0.1387 0.1602 0.1161 0.1293 0.1419 0.1421 0.1187 0.1106 0.1444 0.1345 0.1214 1.2631 1.1507 1.1449 1.1518 2.1637 2.1701 2.0173 2.0066 2.0417 2.0541 3.1369 3.3741 3.7695 3.6606 3.9753 4.2105 3.9233 3.9390 3.6682 4.1110 4.1803 3.8831 4.2071 4.0957 4.1538 3.9677 3.8577 3.9961 4.4208 3.8414 3.8104 3.9377 1.0144 1.0056 1.0023 1.0152 1.0022 1.0077 1.0259 1.0214 1.0012 1.0112 1.0067 0.9873 1.0095 0.9961 1.0091 1.0008 1.0010 1.0077 1.2631 1.1507 1.1449 1.1518 2.1637 2.1701 2.0173 2.0066 2.0417 2.0541 3.1369 3.3741 3.7695 3.6606 3.9753 4.2105 3.9233 3.9390 3.6682 4.1110 4.1803 3.8831 4.2071 4.0957 4.1538 3.9677 3.8577 3.9961 4.4208 3.8414 3.8104 3.9377 1.0144 1.0056 1.0023 1.0152 1.0022 1.0077 1.0259 1.0214 1.0012 1.0112 1.0067 0.9873 1.0095 0.9961 1.0091 1.0008 1.0010 1.0077 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.1222 1.1328 1.1276 1.1487 0.8525 1.2020 1.2438 0.8508 1.8606 1.8468 1.9010 1.8700 0.8030 1.1573 1.1064 1.2129 1.1601 0.8933 0.9274 0.9711 0.9379 1.4546 1.4123 1.6622 0.9834 0.9821 0.9752 0.9875 0.9806 0.9868 0.9771 1.4252 0.9489 1.3160 0.9599 1.1339 0.9633 1.4594 0.9771 1.4064 0.9720 0.9687 0.9751 0.9774 0.9501 0.9743 1.0031 1.8930 0.9737 0.9891 0.9967 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 -0.026687805 -2093.832712433922 45.89116 -48.05702 -2.16587 24.38545 -22.04163 2.34382 11.79118 -10.93666 0.85452 3.30374 8.39743