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:3.4064,-3.9203,.1446;-5.0751,2.4963,-.3552;-5.7851,1.1896,-1.896;-6.2061,.7252,.1507;3.2312,.1305,-.9642;2.6034,1.6242,1.0434;-1.3811,-.1972,1.6616;-1.9333,-1.6694,-2.5837;4.6776,2.4511,1.2642;3.9936,-.9859,.8227;-1.6811,-.9674,-.4421;-3.2793,.4252,.5811;4.0887,1.2677,-.7497;-.4486,-1.6801,-.3341;-3.99,.4184,-.5935;-2.0709,-.2388,.6679;3.6076,2.3119,-1.753;5.5513,.9336,-.986;1.9517,-1.6504,-.1964;.7437,-.9835,-.37;-2.3665,-1.0276,-1.6504;-3.5908,-.2665,-1.6755;3.8472,1.8331,.6528;-.455,-3.0556,-.1844;3.1849,-.8313,-.0534;1.9383,-3.0341,-.0357;-3.6627,1.196,1.768;.7438,-3.7363,-.0544;-5.2758,1.2164,-.671;2.1362,2.1051,2.3178;1.2531,3.2868,2.1015;-.0416,3.2844,2.3909;4.1709,3.236,-1.6293;3.77,1.9545,-2.7704;2.5481,2.5377,-1.63;5.9693,.273,-.2302;5.6611,.4579,-1.9609;6.144,1.847,-1.0014;.7288,.0904,-.4984;-4.1546,-.2714,-2.5945;-1.3882,-3.603,-.1633;-3.26,.7077,2.6473;-3.2692,2.2099,1.7193;-4.7379,1.2213,1.8918;.7434,-4.8126,.0481;2.98,2.3463,2.9653;1.585,1.2771,2.7633;1.7225,4.1774,1.6944;-.6559,4.1629,2.24;-.5332,2.409,2.7994; 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 3608.0500081330 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 6.253e-06 Time for diagonalization 0.546 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.267 sec Total time needed 0.820 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:3.4064,-3.9203,.1446;-5.0751,2.4963,-.3552;-5.7851,1.1896,-1.896;-6.2061,.7252,.1507;3.2312,.1305,-.9642;2.6034,1.6242,1.0434;-1.3811,-.1972,1.6616;-1.9334,-1.6694,-2.5837;4.6776,2.4511,1.2642;3.9936,-.9859,.8227;-1.6811,-.9674,-.4421;-3.2793,.4252,.5811;4.0887,1.2677,-.7497;-.4486,-1.6801,-.3341;-3.99,.4184,-.5935;-2.0709,-.2388,.6679;3.6076,2.3119,-1.753;5.5513,.9336,-.986;1.9517,-1.6504,-.1964;.7437,-.9835,-.37;-2.3665,-1.0276,-1.6504;-3.5908,-.2665,-1.6755;3.8472,1.8331,.6528;-.455,-3.0556,-.1844;3.1849,-.8313,-.0534;1.9383,-3.0341,-.0357;-3.6627,1.196,1.768;.7438,-3.7363,-.0544;-5.2758,1.2164,-.671;2.1362,2.1051,2.3178;1.2531,3.2868,2.1015;-.0416,3.2844,2.3909;4.1709,3.236,-1.6293;3.77,1.9545,-2.7704;2.5481,2.5377,-1.63;5.9693,.273,-.2302;5.6611,.4579,-1.9609;6.144,1.847,-1.0014;.7288,.0904,-.4984;-4.1546,-.2714,-2.5945;-1.3882,-3.603,-.1633;-3.26,.7077,2.6473;-3.2692,2.2099,1.7193;-4.7379,1.2213,1.8918;.7434,-4.8126,.0481;2.98,2.3463,2.9653;1.585,1.2771,2.7633;1.7225,4.1774,1.6944;-.6559,4.1629,2.24;-.5332,2.409,2.7994; 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:3.4064,-3.9203,.1446;-5.0751,2.4963,-.3552;-5.7851,1.1896,-1.896;-6.2061,.7252,.1507;3.2312,.1305,-.9642;2.6034,1.6242,1.0434;-1.3811,-.1972,1.6616;-1.9333,-1.6694,-2.5837;4.6776,2.4511,1.2642;3.9936,-.9859,.8227;-1.6811,-.9674,-.4421;-3.2793,.4252,.5811;4.0887,1.2677,-.7497;-.4486,-1.6801,-.3341;-3.99,.4184,-.5935;-2.0709,-.2388,.6679;3.6076,2.3119,-1.753;5.5513,.9336,-.986;1.9517,-1.6504,-.1964;.7437,-.9835,-.37;-2.3665,-1.0276,-1.6504;-3.5908,-.2665,-1.6755;3.8472,1.8331,.6528;-.455,-3.0556,-.1844;3.1849,-.8313,-.0534;1.9383,-3.0341,-.0357;-3.6627,1.196,1.768;.7438,-3.7363,-.0544;-5.2758,1.2164,-.671;2.1362,2.1051,2.3178;1.2531,3.2868,2.1015;-.0416,3.2844,2.3909;4.1709,3.236,-1.6293;3.77,1.9545,-2.7704;2.5481,2.5377,-1.63;5.9693,.273,-.2302;5.6611,.4579,-1.9609;6.144,1.847,-1.0014;.7288,.0904,-.4984;-4.1546,-.2714,-2.5945;-1.3882,-3.603,-.1633;-3.26,.7077,2.6473;-3.2692,2.2099,1.7193;-4.7379,1.2213,1.8918;.7434,-4.8126,.0481;2.98,2.3463,2.9653;1.585,1.2771,2.7633;1.7225,4.1774,1.6944;-.6559,4.1629,2.24;-.5332,2.409,2.7994; 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 2877 GEPOL Volume 2965.5953 GEPOL Surface-area 1658.4780 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -2093.81328058 3608.05000813 -5701.86328872 -10052.79085361 4350.92756489 -0.04524969 -4180.63742127 2086.82414069 2.00334918 121.999955540714 121.999955540714 243.999911081427 -168.845873736160 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 -2765.4573 -675.9259 -675.9153 -675.9090 -524.9617 -524.9086 -523.4174 -523.3300 -523.1948 -523.1527 -394.8624 -394.5846 -287.3121 -284.2022 -283.7961 -283.5847 -283.3796 -282.5491 -282.1645 -281.9991 -281.4066 -281.2641 -280.8040 -280.7113 -280.4990 -280.4339 -280.4176 -280.3321 -279.8640 -279.6146 -279.5558 -279.3748 -260.7308 -199.5699 -199.3317 -199.3164 -39.8439 -37.2714 -37.2528 -34.2403 -33.6288 -33.3124 -32.3228 -31.5294 -31.3953 -30.4878 -29.6561 -28.0608 -26.5049 -25.9879 -25.8010 -25.0060 -24.5540 -24.2625 -23.2240 -23.0407 -22.7548 -22.1644 -21.7724 -21.5541 -21.1103 -20.4925 -20.1670 -19.9663 -19.8073 -19.7379 -19.3603 -18.7579 -18.5266 -18.2035 -17.9752 -17.3318 -16.9157 -16.8060 -16.6706 -16.5406 -16.4761 -16.3316 -16.2099 -16.0138 -15.8386 -15.7864 -15.7627 -15.6825 -15.3799 -15.2678 -15.0909 -14.9625 -14.9242 -14.8725 -14.7460 -14.6727 -14.5992 -14.2562 -14.1434 -14.0714 -14.0242 -13.9873 -13.5606 -13.5256 -13.3603 -13.2423 -13.1228 -12.7838 -12.7718 -12.6085 -12.5451 -12.5077 -12.3306 -12.2459 -11.7090 -11.3375 -11.2927 -11.1694 -10.8411 -10.5858 -10.5504 -10.5392 -9.9886 -9.8869 -9.4270 -9.3742 0.1684 0.4461 1.1021 1.8630 1.9821 2.2730 2.7546 3.0131 3.3180 3.5821 4.0378 4.1359 4.2730 4.4082 4.4417 4.6451 4.7091 4.7545 4.8690 4.9311 5.0695 5.1664 5.3048 5.3430 5.4215 5.4954 5.6080 5.7118 5.8828 6.0293 6.0792 6.1712 6.2920 6.3790 6.4281 6.5973 6.6568 6.7299 6.8629 6.9334 7.0687 7.1362 7.1544 7.2747 7.4388 7.5787 7.8569 7.9232 7.9781 8.0549 8.1753 8.2729 8.3082 8.4312 8.5070 8.6056 8.7427 8.8471 8.9254 8.9961 9.0832 9.1751 9.3057 9.3642 9.4207 9.7600 9.8619 9.9652 10.0340 10.1162 10.1687 10.2381 10.4328 10.4521 10.5269 10.6339 10.7419 10.7994 11.0175 11.0887 11.1608 11.2250 11.2837 11.4601 11.5278 11.6692 11.8069 11.8196 11.9051 11.9726 12.0033 12.0761 12.2745 12.4775 12.5215 12.5945 12.6042 12.7622 12.8643 12.9669 12.9844 13.0984 13.1675 13.3457 13.5457 13.5998 13.7208 13.8253 13.9175 14.0124 14.0435 14.0686 14.1899 14.2430 14.2750 14.3860 14.5111 14.6078 14.6486 14.7705 14.8551 14.9388 14.9861 15.0612 15.1706 15.2558 15.3651 15.4350 15.5613 15.6921 15.8096 15.9145 15.9232 16.0879 16.1781 16.2280 16.3457 16.4567 16.7578 16.7915 16.9136 16.9468 17.0734 17.0857 17.1686 17.4597 17.4673 17.6705 17.8644 17.8870 17.9650 18.1771 18.2288 18.3501 18.4322 18.6178 18.6774 18.7552 18.8300 18.9331 18.9626 19.0389 19.2686 19.4250 19.5888 19.6192 19.8080 19.9543 19.9988 20.1695 20.2991 20.6535 20.6604 20.7975 20.8247 20.9802 21.0973 21.3700 21.4368 21.4783 21.5807 21.6927 21.9549 22.0315 22.1696 22.1952 22.3966 22.5200 22.5778 22.7156 22.7359 22.9869 23.0910 23.1203 23.2501 23.5256 23.7299 23.7838 23.9497 24.0693 24.1676 24.2306 24.3999 24.4713 24.6361 24.7726 24.8910 24.9503 25.1079 25.1336 25.4554 25.5095 25.5848 25.6093 25.8411 25.8840 26.0655 26.3546 26.4764 26.5902 26.7150 26.8536 26.9195 27.0201 27.1135 27.3187 27.3918 27.5831 27.6748 27.8736 27.9286 28.0762 28.0869 28.1861 28.3569 28.4804 28.5598 28.6599 28.8406 28.8567 29.0475 29.1335 29.2632 29.3550 29.5281 29.6454 29.9757 30.0616 30.1937 30.2841 30.3645 30.4616 30.7225 30.8269 30.9238 31.0546 31.1795 31.3798 31.4379 31.6388 31.7325 31.7829 31.9991 32.0649 32.2212 32.3794 32.5011 32.5817 32.7272 32.9580 33.0983 33.2682 33.2909 33.4561 33.5105 33.7963 33.8454 33.9994 34.1218 34.3846 34.4815 34.5597 34.6149 34.8335 34.8786 34.9808 35.1851 35.2620 35.3980 35.6256 35.8042 35.8972 36.1029 36.3362 36.3878 36.4963 36.5724 36.8447 37.0056 37.1059 37.1672 37.4273 37.5939 37.7527 37.8162 37.9487 38.0938 38.1245 38.2737 38.5721 38.6360 38.8596 38.9300 39.2498 39.3042 39.3903 39.5018 39.6243 39.7138 40.0845 40.1474 40.4747 40.7256 40.9253 41.0148 41.0630 41.1447 41.3160 41.3492 41.6950 41.8791 41.9491 42.1455 42.1765 42.2888 42.3431 42.5217 42.7128 42.8245 42.9588 43.0641 43.1882 43.2624 43.4725 43.6409 43.7328 43.8108 44.0100 44.1122 44.3384 44.3955 44.4991 44.5980 44.6437 44.8435 44.9007 45.0179 45.1456 45.2104 45.4097 45.5599 45.6338 45.9255 45.9424 46.0144 46.1267 46.2459 46.3735 46.6201 46.7702 46.8469 47.3751 47.5911 47.6338 47.7410 47.8124 48.0183 48.1734 48.4100 48.5759 48.7359 48.8144 48.9284 49.1779 49.2288 49.4373 49.5015 49.7675 50.1348 50.2799 50.3032 50.4561 50.5792 50.6635 50.9070 51.1800 51.2728 51.3465 51.5098 51.6067 51.7874 51.8403 52.0449 52.3209 52.4450 52.6276 52.7323 53.0066 53.1750 53.5394 53.6310 53.7850 53.9256 54.1601 54.5058 55.0119 55.2505 55.5895 55.7720 55.8877 55.9541 56.2030 56.4125 56.6154 56.7633 57.1386 57.1746 57.3098 57.5864 57.7103 57.7958 58.0751 58.1174 58.4663 58.5892 58.7442 58.8729 58.9742 59.0732 59.2961 59.3691 59.6817 59.8369 59.9129 59.9766 60.0461 60.5054 60.6694 60.7849 60.8938 61.0580 61.0982 61.3519 61.6190 61.7336 62.0048 62.2748 62.3058 62.4747 62.6864 62.9840 63.0933 63.2308 63.3917 63.4742 63.7090 64.1164 64.1730 64.3361 64.5943 64.8187 64.8844 64.9594 65.2958 65.3477 65.5527 65.6464 65.8303 66.0089 66.1649 66.4574 66.5763 66.7540 67.0188 67.0743 67.2858 67.3454 67.5375 67.7613 67.8927 68.1006 68.4520 68.6472 68.6913 69.1857 69.5049 69.7044 69.7892 70.3552 70.4378 70.7085 70.9425 71.3139 71.6334 71.8098 71.8825 72.0218 72.3075 72.4449 72.8900 72.9632 73.1750 73.3530 73.7956 74.0027 74.2583 74.3340 74.5776 74.8219 75.0431 75.2910 75.5105 75.7307 75.8330 75.9106 76.2425 76.2747 76.3778 76.6046 76.6979 76.8050 76.9164 77.2162 77.4558 77.5814 77.6662 77.8319 77.8830 78.2272 78.4296 78.4745 78.6590 78.7556 78.9067 79.0261 79.1624 79.2629 79.4110 79.5637 79.5859 79.8363 79.9476 80.0029 80.1983 80.2519 80.2717 80.4787 80.5696 80.8104 80.8406 80.8997 81.1227 81.1899 81.4327 81.5857 81.6247 81.8178 81.8499 82.0103 82.1442 82.2742 82.3273 82.5384 82.7671 82.8465 82.9578 83.1496 83.3540 83.4259 83.5237 83.6070 83.7223 83.9164 84.0821 84.1753 84.2213 84.3452 84.5113 84.6246 84.8965 84.9354 85.0644 85.2192 85.2631 85.4424 85.5325 85.6978 85.7600 85.8223 86.1453 86.2760 86.4446 86.5348 86.6883 86.7438 86.8426 86.9037 87.1535 87.3335 87.3845 87.5887 87.7042 87.8384 87.8794 87.9412 88.1025 88.2375 88.4620 88.5433 88.7669 88.7886 88.8698 89.0660 89.1784 89.2892 89.3691 89.4848 89.6701 89.7823 89.9378 89.9640 90.0910 90.2883 90.3581 90.5875 90.7210 90.8851 90.9903 91.1141 91.2734 91.3065 91.4277 91.6040 91.6802 91.8066 91.8750 92.0899 92.1946 92.3327 92.3832 92.6749 92.7353 92.8425 93.0245 93.1747 93.2459 93.3180 93.5533 93.6308 93.6935 93.7729 94.0709 94.1019 94.2427 94.4056 94.5130 94.5839 94.7176 94.8528 94.9672 95.0896 95.2925 95.4231 95.5899 95.6635 95.7510 95.8981 96.0300 96.2364 96.3297 96.4025 96.4231 96.6996 96.9504 97.0314 97.2018 97.3671 97.5340 97.6517 97.7164 97.8202 97.9748 98.0330 98.3298 98.3610 98.3852 98.6458 98.7613 99.0542 99.0778 99.2271 99.4086 99.4904 99.5989 99.8476 100.0824 100.1709 100.4664 100.5770 100.6329 100.8197 100.8256 100.9799 101.1620 101.3365 101.8554 101.9063 102.0385 102.1595 102.2228 102.4084 102.5964 102.6006 102.7687 103.0339 103.2199 103.4949 103.7570 103.7983 103.9657 104.0869 104.1900 104.3635 104.5314 104.7092 104.7412 104.9323 104.9823 105.0616 105.2804 105.5077 105.6515 105.9733 106.0590 106.1191 106.3382 106.4222 106.4738 106.7926 107.0119 107.1451 107.2295 107.6006 107.6845 107.8280 108.1285 108.2566 108.3499 108.6248 108.6999 108.8140 109.1041 109.4088 109.6423 109.8676 109.9122 110.0969 110.3226 110.3912 110.5628 110.6818 110.7492 110.9121 111.0379 111.1420 111.3623 111.6410 111.7193 111.8798 111.9052 112.2114 112.3426 112.4118 112.8042 113.0070 113.2689 113.3420 113.4688 113.6230 113.8953 114.0419 114.1684 114.2177 114.4265 114.6211 114.7993 115.1528 115.1914 115.1977 115.3725 115.5001 115.7047 115.8027 115.9031 116.0059 116.1268 116.2443 116.3780 116.4314 116.8207 116.9798 117.0191 117.2564 117.4299 117.8022 117.8479 117.9395 118.1193 118.3238 118.4236 118.4960 118.7703 118.9006 118.9641 119.1398 119.3407 119.4042 119.5925 119.6775 120.1593 120.3909 120.6824 120.7480 121.1699 121.4638 121.7479 121.8146 121.8572 122.0081 122.1300 122.4839 122.7404 123.0983 123.3734 123.6608 123.8307 124.0833 124.2063 124.4569 124.6802 125.1034 125.4998 125.6255 126.0623 126.1654 126.4873 126.7395 126.9234 127.1864 127.5980 127.6957 127.7353 128.4053 128.5129 128.7790 128.8840 129.0527 129.4946 129.7520 129.8538 130.1149 130.4308 130.7280 130.8589 130.9671 131.2079 131.5645 131.6741 131.7663 132.5724 132.7462 132.9763 133.1199 133.2615 133.4807 133.6923 133.7860 134.1156 134.2799 135.0097 135.1272 135.7341 135.9006 136.1241 136.3332 136.5149 136.6929 137.1664 137.3061 137.4857 137.6999 137.8657 138.3575 138.6400 138.8303 139.4425 139.8601 140.1520 140.3018 140.4221 140.8334 140.9780 141.0407 141.4007 141.7796 142.4119 142.5466 142.8460 142.8985 143.0156 143.3215 143.3487 143.5646 143.7249 143.9399 144.3220 144.5163 144.5908 144.6831 144.8272 145.1269 145.2140 145.2424 145.5304 145.7473 145.9067 146.0207 146.2957 146.6471 146.8611 147.5868 147.6086 147.9596 148.2558 148.3841 148.4914 148.7070 148.8649 149.0826 149.2694 149.6578 149.7329 149.9883 150.2489 150.3126 150.4129 150.6641 150.8199 150.9605 151.1067 151.3851 151.4755 151.6665 151.8461 152.2463 152.3966 152.5657 152.7028 152.7851 153.2002 153.2760 153.3935 153.8117 154.3529 154.7226 155.2280 155.5857 155.6663 155.9685 156.3506 156.3905 156.7425 156.8146 157.1338 157.4058 157.7020 157.9166 158.1660 158.5220 158.8972 159.0971 159.6696 160.5522 160.7068 161.0903 161.3719 161.7164 162.1721 163.0898 163.9754 164.0140 165.5807 166.1502 166.4968 167.4455 168.5221 169.1050 169.4003 170.5448 171.0236 171.8162 172.3381 172.5044 173.3969 173.7629 174.5371 175.8809 175.9160 177.0258 177.1621 177.6456 178.0396 178.4004 179.1082 179.3600 179.5631 180.1556 181.1468 181.8455 183.2692 184.7159 185.2967 186.0417 186.6020 186.9812 187.7580 187.8424 188.0229 188.1251 188.1663 188.2305 188.4380 188.5452 188.6337 188.8921 188.9856 189.0933 189.2610 189.3748 191.0788 191.8987 192.1812 192.5485 192.9316 194.2573 194.3144 194.4736 194.9828 195.4029 195.6912 195.9279 196.0032 196.2547 196.6362 198.3749 198.4757 198.7282 201.1353 202.6459 203.0091 204.2064 204.8753 205.2463 206.7657 207.1080 208.1074 209.0535 210.0984 221.9934 223.6143 223.9149 227.4669 227.6553 228.5512 228.8055 230.0625 232.2828 233.3729 235.2530 238.9275 240.7703 241.5688 244.2132 245.8529 246.8505 247.1878 250.1540 251.1525 295.0619 298.0705 313.1461 615.3056 622.6923 623.4591 625.5615 625.8469 628.0373 632.0041 634.1398 636.8692 636.9523 637.7325 642.2832 643.4465 644.2774 645.7832 646.7683 647.2713 649.9309 650.4216 653.3705 715.2902 902.9524 907.4128 1198.8600 1199.7491 1200.9504 1201.1753 1210.9809 1214.3330 1558.5829 1559.8517 1565.1889 -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 -0.055898 -0.160932 -0.158142 -0.162446 -0.290385 -0.265528 -0.470454 -0.462693 -0.430876 -0.408637 -0.059667 -0.092096 0.311585 0.087680 0.006630 0.405273 -0.291443 -0.298902 0.111986 -0.164412 0.346944 -0.153356 0.343721 -0.188662 0.368842 0.027724 -0.207711 -0.101378 0.536912 0.054372 -0.182197 -0.254658 0.112808 0.112730 0.115058 0.112810 0.111263 0.105326 0.134412 0.138323 0.152779 0.120310 0.141920 0.135839 0.140443 0.113465 0.115294 0.147511 0.132993 0.115520 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 17.0559 9.1609 9.1581 9.1624 8.2904 8.2655 8.4705 8.4627 8.4309 8.4086 7.0597 7.0921 5.6884 5.9123 5.9934 5.5947 6.2914 6.2989 5.8880 6.1644 5.6531 6.1534 5.6563 6.1887 5.6312 5.9723 6.2077 6.1014 5.4631 5.9456 6.1822 6.2547 0.8872 0.8873 0.8849 0.8872 0.8887 0.8947 0.8656 0.8617 0.8472 0.8797 0.8581 0.8642 0.8596 0.8865 0.8847 0.8525 0.8670 0.8845 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 -0.0559 -0.1609 -0.1581 -0.1624 -0.2904 -0.2655 -0.4705 -0.4627 -0.4309 -0.4086 -0.0597 -0.0921 0.3116 0.0877 0.0066 0.4053 -0.2914 -0.2989 0.1120 -0.1644 0.3469 -0.1534 0.3437 -0.1887 0.3688 0.0277 -0.2077 -0.1014 0.5369 0.0544 -0.1822 -0.2547 0.1128 0.1127 0.1151 0.1128 0.1113 0.1053 0.1344 0.1383 0.1528 0.1203 0.1419 0.1358 0.1404 0.1135 0.1153 0.1475 0.1330 0.1155 1.2648 1.1492 1.1527 1.1452 2.1546 2.1214 2.0360 2.0498 2.0898 2.0868 3.1274 3.3523 3.7693 3.6594 3.9755 4.2290 3.9232 3.9344 3.6019 4.1141 4.2138 3.8685 4.2139 4.1178 4.2329 3.9892 3.8543 3.9779 4.4179 3.8125 3.8268 3.9473 1.0071 1.0042 1.0075 1.0181 1.0044 1.0107 1.0399 1.0218 1.0037 1.0095 0.9839 1.0097 1.0089 1.0208 1.0036 0.9992 1.0025 1.0154 1.2648 1.1492 1.1527 1.1452 2.1546 2.1214 2.0360 2.0498 2.0898 2.0868 3.1274 3.3523 3.7693 3.6594 3.9755 4.2290 3.9232 3.9344 3.6019 4.1141 4.2138 3.8685 4.2139 4.1178 4.2329 3.9892 3.8543 3.9779 4.4179 3.8125 3.8268 3.9473 1.0071 1.0042 1.0075 1.0181 1.0044 1.0107 1.0399 1.0218 1.0037 1.0095 0.9839 1.0097 1.0089 1.0208 1.0036 0.9992 1.0025 1.0154 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.1301 1.1315 1.1497 1.1261 0.8443 1.2244 1.1987 0.8293 1.8783 1.8965 1.9646 1.9257 0.7886 1.1588 1.0981 1.2125 1.1544 0.8856 0.9348 0.9717 0.9442 1.4531 1.4241 1.6623 0.9848 0.9803 0.9877 0.9745 0.9789 0.9897 0.9768 1.4056 0.9374 1.3184 0.9625 1.1267 0.9638 1.4556 0.9752 1.4060 0.9720 0.9754 0.9709 0.9768 0.9545 0.9856 0.9897 1.9004 0.9720 0.9906 0.9970 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 -0.029473883 -2093.842754467682 28.01509 -31.17000 -3.15492 20.28596 -18.95426 1.33170 7.65883 -7.70576 -0.04693 3.42478 8.70510