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 Cl F F F F F O O N N N N 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 1 2 2 2 2 2 3 3 4 4 4 4 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 6 446.67391599999974 AuxInfo=1/0/N:30,28,29,25,26,18,22,15,16,20,21,14,13,19,31,24,17,23,27,1,2,3,4,5,6,12,11,10,9,8,7/E:(2,3)(4,5)(21,22)(23,24,25)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,27.2,28.2,30.1/rA:45nClFFFFFOO1NN2N2NC3C3C3CC3C3C3CC3C3CC3C3C3CC3C3C3C3HHHHHHHHHHHHHH/rB:;;;;;;;;s9;;;s9;;s13s14;s7s14;s9s11;s13;s1s14;s7;s17;s18s19;s2s3s20;s10s11;s21;s21;s4s5s6s23;s25;s26;s28s29;s8s12s24;s15;s16;s16;s18;s20;s20;s22;s25;s26;s28;s29;s30;s12;s12;/rC:1.1026,-4.9745,.5956;4.0028,1.5072,.6106;4.7895,.2541,-.9981;3.8466,2.794,-1.65;1.8593,2.1401,-1.1446;2.9659,1.1364,-2.7011;2.333,-1.0916,-1.11;-6.2812,.0831,-1.3204;-2.5012,-.3399,.1399;-3.7139,-.5117,-.3816;-3.394,1.632,.153;-5.9566,2.2524,-.744;-1.6214,-1.4453,.2466;.5228,-2.448,-.1964;-.3549,-1.3762,-.31;1.9,-2.3932,-.8125;-2.3133,.9583,.4727;-2.0586,-2.5861,.8986;.0676,-3.5906,.4568;2.7445,-.3542,.0084;-1.1263,1.5338,1.1061;-1.2063,-3.6702,.9964;3.6548,.76,-.4632;-4.2147,.6964,-.3584;-.728,2.8143,.7254;-.4223,.8642,2.1068;3.068,1.7229,-1.5137;.3714,3.4093,1.3223;.6754,1.4667,2.7021;1.0802,2.7346,2.3064;-5.588,.9744,-.8564;-.0515,-.4852,-.8451;2.6246,-2.8934,-.1596;1.895,-2.9407,-1.7587;-3.0499,-2.6322,1.329;1.9058,.0739,.5683;3.3227,-.969,.7118;-1.5334,-4.5704,1.4986;-1.2744,3.3407,-.0466;-.7361,-.115,2.4442;.6781,4.3997,1.0122;1.2141,.9428,3.4809;1.9398,3.1992,2.7715;-5.3402,2.9447,-.3499;-6.8695,2.548,-1.0521; 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 1675 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 234 Dim 1168 ENuc 3414.5050233443 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 4.874e-06 Time for diagonalization 0.482 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.243 sec Total time needed 0.732 sec 17 9 9 9 9 9 8 8 7 7 7 7 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 1 446.67391599999974 AuxInfo=1/0/N:30,28,29,25,26,18,22,15,16,20,21,14,13,19,31,24,17,23,27,1,2,3,4,5,6,12,11,10,9,8,7/E:(2,3)(4,5)(21,22)(23,24,25)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,27.2,28.2,30.1/rA:45nClFFFFFOO1NN2N2NC3C3C3CC3C3C3CC3C3CC3C3C3CC3C3C3C3HHHHHHHHHHHHHH/rB:;;;;;;;;s9;;;s9;;s13s14;s7s14;s9s11;s13;s1s14;s7;s17;s18s19;s2s3s20;s10s11;s21;s21;s4s5s6s23;s25;s26;s28s29;s8s12s24;s15;s16;s16;s18;s20;s20;s22;s25;s26;s28;s29;s30;s12;s12;/rC:1.1026,-4.9745,.5956;4.0028,1.5072,.6106;4.7895,.2541,-.9981;3.8466,2.794,-1.65;1.8593,2.1401,-1.1446;2.9659,1.1364,-2.7011;2.333,-1.0916,-1.11;-6.2812,.0831,-1.3204;-2.5012,-.3399,.1399;-3.7139,-.5117,-.3816;-3.394,1.632,.153;-5.9566,2.2524,-.744;-1.6214,-1.4453,.2466;.5228,-2.448,-.1964;-.3549,-1.3762,-.31;1.9,-2.3932,-.8125;-2.3133,.9583,.4727;-2.0586,-2.5861,.8986;.0676,-3.5906,.4568;2.7445,-.3542,.0084;-1.1263,1.5338,1.1061;-1.2063,-3.6702,.9964;3.6548,.76,-.4632;-4.2147,.6964,-.3584;-.728,2.8143,.7254;-.4223,.8642,2.1068;3.068,1.7229,-1.5137;.3714,3.4093,1.3223;.6754,1.4667,2.7021;1.0802,2.7346,2.3064;-5.588,.9744,-.8564;-.0515,-.4852,-.8451;2.6246,-2.8934,-.1596;1.895,-2.9407,-1.7587;-3.0499,-2.6322,1.329;1.9058,.0739,.5683;3.3227,-.969,.7118;-1.5334,-4.5704,1.4986;-1.2744,3.3407,-.0466;-.7361,-.115,2.4442;.6781,4.3997,1.0122;1.2141,.9428,3.4809;1.9398,3.1992,2.7715;-5.3402,2.9447,-.3499;-6.8695,2.548,-1.0521; 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" 446.67391599999974 AuxInfo=1/0/N:30,28,29,25,26,18,22,15,16,20,21,14,13,19,31,24,17,23,27,1,2,3,4,5,6,12,11,10,9,8,7/E:(2,3)(4,5)(21,22)(23,24,25)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,27.2,28.2,30.1/rA:45nClFFFFFOO1NN2N2NC3C3C3CC3C3C3CC3C3CC3C3C3CC3C3C3C3HHHHHHHHHHHHHH/rB:;;;;;;;;s9;;;s9;;s13s14;s7s14;s9s11;s13;s1s14;s7;s17;s18s19;s2s3s20;s10s11;s21;s21;s4s5s6s23;s25;s26;s28s29;s8s12s24;s15;s16;s16;s18;s20;s20;s22;s25;s26;s28;s29;s30;s12;s12;/rC:1.1026,-4.9745,.5956;4.0028,1.5072,.6106;4.7895,.2541,-.9981;3.8466,2.794,-1.65;1.8593,2.1401,-1.1446;2.9659,1.1364,-2.7011;2.333,-1.0916,-1.11;-6.2812,.0831,-1.3204;-2.5012,-.3399,.1399;-3.7139,-.5117,-.3816;-3.394,1.632,.153;-5.9566,2.2524,-.744;-1.6214,-1.4453,.2466;.5228,-2.448,-.1964;-.3549,-1.3762,-.31;1.9,-2.3932,-.8125;-2.3133,.9583,.4727;-2.0586,-2.5861,.8986;.0676,-3.5906,.4568;2.7445,-.3542,.0084;-1.1263,1.5338,1.1061;-1.2063,-3.6702,.9964;3.6548,.76,-.4632;-4.2147,.6964,-.3584;-.728,2.8143,.7254;-.4223,.8642,2.1068;3.068,1.7229,-1.5137;.3714,3.4093,1.3223;.6754,1.4667,2.7021;1.0802,2.7346,2.3064;-5.588,.9744,-.8564;-.0515,-.4852,-.8451;2.6246,-2.8934,-.1596;1.895,-2.9407,-1.7587;-3.0499,-2.6322,1.329;1.9058,.0739,.5683;3.3227,-.969,.7118;-1.5334,-4.5704,1.4986;-1.2744,3.3407,-.0466;-.7361,-.115,2.4442;.6781,4.3997,1.0122;1.2141,.9428,3.4809;1.9398,3.1992,2.7715;-5.3402,2.9447,-.3499;-6.8695,2.548,-1.0521; 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 2562 GEPOL Volume 2883.0680 GEPOL Surface-area 1551.4921 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.9s -2061.57634787 3414.50502334 -5476.08137121 -9625.75400012 4149.67262890 -0.04396718 -4116.44598904 2054.86964117 2.00326381 117.000078194391 117.000078194391 234.000156388782 -164.586870477600 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.4877 -675.8771 -675.8363 -675.8311 -675.5091 -675.4341 -524.2008 -522.6779 -395.4230 -393.6332 -393.0471 -392.6856 -287.0291 -285.1226 -282.9231 -282.1679 -281.7785 -281.6028 -281.4509 -281.4379 -281.3705 -280.6527 -280.5133 -280.3277 -280.3040 -280.2689 -280.0742 -280.0101 -279.9246 -279.9028 -279.8735 -260.7604 -199.5944 -199.3625 -199.3510 -39.7942 -38.2545 -37.2425 -37.1674 -36.5861 -33.6026 -32.3545 -31.8130 -28.8889 -28.1329 -27.9295 -27.4072 -26.6874 -26.0472 -25.4748 -24.6202 -24.1167 -23.7920 -23.6125 -23.3257 -22.0222 -21.7026 -21.2492 -21.0173 -20.2794 -20.0094 -19.8648 -19.7892 -19.6614 -19.4896 -19.2627 -18.6557 -18.5660 -18.2570 -17.8338 -17.5510 -17.1445 -16.9958 -16.5189 -16.4563 -16.3033 -16.2375 -16.2050 -15.9813 -15.7853 -15.7477 -15.6586 -15.4626 -15.3360 -15.2198 -15.0267 -14.9161 -14.8451 -14.6254 -14.5500 -14.5401 -14.4152 -14.3524 -14.3058 -14.2640 -14.0514 -13.7741 -13.3852 -13.2182 -13.0744 -12.6430 -12.5299 -12.4405 -12.1759 -11.9365 -11.9101 -11.4894 -11.2525 -11.0189 -10.6008 -10.4542 -10.3055 -10.2178 -9.8252 -9.4970 -9.3894 -8.8727 0.4631 1.0096 1.1218 1.4132 1.5933 2.9616 3.1305 3.2954 3.5069 3.6970 4.0230 4.1673 4.2090 4.3977 4.4725 4.6022 4.7334 4.8744 5.1053 5.2280 5.2864 5.4224 5.4947 5.6550 5.7118 5.8534 5.9207 6.1006 6.2816 6.3533 6.4429 6.4960 6.7581 6.9580 7.1971 7.3032 7.4888 7.5586 7.6378 7.7842 7.7926 7.9264 7.9910 8.1624 8.2163 8.3225 8.3316 8.5614 8.5940 8.6624 8.6872 8.8102 8.8826 8.9755 9.0613 9.0806 9.2437 9.2624 9.3764 9.5149 9.5681 9.7239 9.8660 10.1134 10.1528 10.2051 10.3229 10.3729 10.4804 10.5322 10.6664 10.8832 10.9148 10.9609 11.0513 11.3172 11.3890 11.5128 11.6420 11.8255 11.8880 11.9226 11.9939 12.1110 12.2202 12.2742 12.3774 12.4766 12.6577 12.7149 12.7884 12.8629 13.0239 13.0799 13.1900 13.2697 13.5330 13.6904 13.7708 13.7940 13.8922 14.0581 14.0943 14.1611 14.2468 14.3768 14.4185 14.5513 14.6352 14.7622 14.7989 14.9058 14.9250 15.0694 15.1990 15.2087 15.3432 15.4571 15.6624 15.7005 15.8020 15.8708 15.9606 16.1714 16.2598 16.3265 16.3887 16.4603 16.6956 16.8386 16.9702 17.0091 17.0650 17.1946 17.4060 17.6096 17.7106 17.8285 17.9431 18.0747 18.1621 18.2581 18.4572 18.6942 18.8712 18.9475 19.1296 19.3019 19.4769 19.6729 19.7524 19.7909 19.9075 20.1704 20.1971 20.3189 20.3941 20.4651 20.8216 20.8338 21.0821 21.1406 21.2027 21.3431 21.4677 21.5643 21.6585 21.7857 21.7966 21.9659 22.1511 22.3329 22.3884 22.5081 22.5680 22.6518 22.8106 22.8562 23.0185 23.1118 23.2006 23.3655 23.3877 23.6462 23.7822 23.9284 23.9983 24.2272 24.4009 24.5032 24.5446 24.6333 24.6463 24.8468 25.0535 25.1158 25.1831 25.2169 25.4850 25.6144 25.8183 25.9023 26.0288 26.1250 26.3166 26.3450 26.4885 26.6274 26.6821 26.8762 27.0236 27.2868 27.4698 27.5968 27.7789 27.8386 27.9998 28.1642 28.2718 28.4518 28.6980 28.7741 28.9756 29.0522 29.2065 29.2994 29.4589 29.5349 29.8220 29.9193 30.1815 30.3679 30.4440 30.7484 30.8941 31.0392 31.1342 31.3129 31.5633 31.6380 31.6895 31.8051 31.9870 32.1564 32.2500 32.5625 32.6313 32.8055 32.8827 33.0823 33.1469 33.3349 33.4930 33.5865 33.8189 33.9692 34.1570 34.2013 34.4271 34.5249 34.6786 34.8046 35.1279 35.2338 35.3607 35.4733 35.4980 35.7149 35.8214 35.9671 36.2097 36.3209 36.4020 36.6651 36.7503 37.0325 37.3030 37.4125 37.5233 37.6932 37.9300 37.9752 38.0921 38.2180 38.2871 38.4259 38.5630 38.7037 38.8222 38.9054 39.1632 39.3689 39.5656 39.6490 39.8044 39.9158 40.0628 40.1601 40.3101 40.5503 40.7269 40.7319 40.9682 41.0172 41.2119 41.3295 41.4460 41.5668 41.8923 42.1560 42.2507 42.3581 42.5944 42.7518 42.7884 42.9182 43.1780 43.4977 43.6593 43.7730 43.9014 44.1601 44.2746 44.3757 44.5326 44.6743 44.9479 45.0621 45.2094 45.4808 45.5421 45.7024 45.8855 46.0922 46.1354 46.5712 46.7403 46.8759 47.0634 47.3798 47.5036 47.5256 47.5529 47.8635 47.9063 48.0570 48.4869 48.6447 48.7550 48.8605 48.9682 49.1186 49.2835 49.6587 49.9270 50.0139 50.1174 50.1964 50.5906 50.6330 50.9469 51.0642 51.1457 51.2544 51.4491 51.6045 51.7764 52.2162 52.3114 52.5269 52.5872 52.8072 53.0742 53.1955 53.2178 53.6691 53.7242 53.7460 53.8992 54.0453 54.1680 54.3335 54.5548 54.9456 55.1271 55.3228 55.3922 55.4332 55.7808 55.8549 55.8770 56.1397 56.2644 56.6903 56.8593 56.9258 57.0816 57.3311 57.4518 57.6329 57.7445 58.0001 58.1883 58.3681 58.6260 58.7291 58.8364 59.1396 59.2371 59.3973 59.7171 59.8483 59.9495 60.1148 60.3013 60.4519 60.6013 60.8692 60.9187 61.4170 61.5316 61.7549 61.8459 61.9770 62.2148 62.2921 62.4757 62.5635 62.8449 62.9047 63.2423 63.3034 63.8350 64.0956 64.1559 64.3046 64.7260 64.9488 65.0915 65.2120 65.3992 65.5246 65.6479 65.7839 65.9351 66.2113 66.3741 66.4406 66.9029 67.0942 67.2837 67.3784 67.4942 67.7872 68.0285 68.0937 68.3591 68.4347 68.6613 68.7072 69.0113 69.0736 69.4504 69.6447 69.8708 70.1660 70.3278 70.5354 70.9882 71.2454 71.4381 71.8314 72.1023 72.3417 72.3856 72.7462 72.8949 73.2462 73.4233 73.8528 73.9220 74.4262 74.6564 75.0839 75.2600 75.4327 75.7835 75.9494 76.0767 76.2015 76.3459 76.4591 76.5820 77.0677 77.3465 77.4589 77.5241 77.7137 78.0382 78.1472 78.2389 78.4778 78.5650 78.7336 78.8748 78.9647 79.0963 79.2217 79.4179 79.7650 79.8548 79.9894 80.0322 80.0639 80.3317 80.7120 80.8676 81.1212 81.1870 81.2701 81.4765 81.7280 81.9506 82.1041 82.2001 82.2705 82.4128 82.5665 82.7484 82.9680 82.9718 83.2505 83.5061 83.5593 83.8564 83.8827 84.0208 84.1163 84.1709 84.2500 84.4708 84.5431 84.6680 84.7939 84.8897 84.9953 85.0719 85.1731 85.3702 85.5136 85.6038 85.6624 85.7512 85.8571 86.2105 86.2330 86.3089 86.4817 86.5460 86.6976 86.7959 86.8611 87.0185 87.2615 87.3721 87.4497 87.4768 87.6507 87.8153 87.9353 87.9783 88.0664 88.2771 88.3932 88.4443 88.5734 88.8129 88.9468 89.0953 89.2955 89.3052 89.5542 89.7180 89.8339 89.9907 90.1132 90.2834 90.3936 90.5346 90.6853 90.8016 90.9142 91.1944 91.2330 91.3968 91.6133 91.7257 91.8078 91.9178 92.1312 92.1978 92.2423 92.4550 92.5645 92.6907 92.9048 93.0516 93.0779 93.1397 93.4188 93.4549 93.5180 93.6740 93.8519 94.0143 94.2544 94.4393 94.4922 94.5478 94.7947 94.9369 95.1174 95.4129 95.5065 95.5677 95.7017 95.9386 96.0955 96.4044 96.5099 96.6790 96.7223 96.8827 96.9869 97.0877 97.2042 97.2950 97.6510 97.7167 97.8445 97.9670 98.0910 98.1702 98.3927 98.5815 98.7694 98.9664 99.2993 99.3794 99.5163 99.6986 99.8811 99.9876 100.0516 100.1431 100.2420 100.3826 100.8423 100.9744 101.5461 101.6225 101.6398 101.7975 102.2958 102.3919 102.5416 102.6991 102.7903 102.9662 103.0528 103.1454 103.3689 103.6878 103.8210 103.8995 103.9454 104.2459 104.4162 104.5657 104.7516 105.0063 105.1030 105.4349 105.4991 105.7228 105.8857 105.9891 106.1476 106.2034 106.4349 106.5613 106.6492 106.8982 106.9752 107.0537 107.1078 107.2038 107.5796 107.8507 107.9862 108.3293 108.3511 108.6074 108.6908 108.8320 108.8940 108.9609 109.1514 109.3022 109.4428 109.6203 109.7652 109.8097 109.9627 110.1469 110.4275 110.7471 110.8938 110.9250 111.1193 111.2145 111.3378 111.4984 111.6270 111.9090 112.0450 112.0752 112.6125 112.7984 112.9847 113.0576 113.2822 113.4513 113.8897 114.0035 114.0684 114.2340 114.3871 114.4909 114.6512 114.8089 114.8776 114.9192 115.2099 115.3285 115.5339 115.8301 115.9900 116.1249 116.4580 116.5129 116.7228 117.0837 117.2708 117.4667 117.5402 117.6955 117.9395 118.1488 118.2986 118.4848 118.6999 118.9133 118.9789 119.1157 119.3426 119.3624 119.5678 119.6352 119.7587 119.9033 120.2267 120.5079 120.7020 120.9110 121.1163 121.3201 121.3633 121.5142 121.9216 122.0016 122.4877 122.8468 122.9006 123.3304 123.5766 123.8420 124.1198 124.3636 124.5567 124.9082 125.5545 125.6113 126.2230 126.3843 126.6622 126.9973 127.2424 127.4640 127.9364 128.1399 128.2601 128.6453 129.2677 129.5477 129.6849 130.0583 130.1169 130.3838 130.5811 130.6941 130.8673 131.1153 131.3218 131.4767 131.8754 132.0387 132.2377 132.7320 132.9777 133.0153 133.3635 133.4426 133.7381 133.8197 134.0551 134.3390 134.3604 135.0097 135.2118 135.4991 135.6115 135.9458 136.2029 136.7571 136.8530 137.4623 137.6002 137.6508 137.9517 137.9928 138.3564 138.7194 138.7817 138.9681 139.3698 139.7883 139.8953 140.1162 140.2382 140.7145 141.2036 141.7469 141.8396 141.9908 142.3365 142.7055 143.0375 143.1058 143.9093 144.2287 144.2858 144.5123 144.9136 145.2009 145.4089 145.6511 145.8640 146.3020 146.6180 147.0240 147.4952 147.6932 147.9378 148.0018 148.4262 148.6931 148.7662 148.8956 149.3162 149.5880 149.7987 150.0723 150.2931 150.6942 151.2213 151.5192 151.6621 151.7037 151.9828 152.4269 152.7211 152.8944 153.0058 153.5086 153.7929 154.5871 154.7168 155.2067 155.4751 155.8422 156.3779 156.5803 157.2233 157.6481 157.9581 158.0838 158.3315 158.8713 159.1525 159.6389 160.0832 160.2151 160.3630 160.8651 161.7185 162.2006 163.6700 164.1315 165.2848 165.7438 166.3721 166.9332 168.1834 168.6689 169.4678 170.1177 170.8858 171.1006 172.0217 172.8653 174.3091 175.1823 176.5269 176.6209 177.7096 180.6078 180.6234 182.6165 183.4155 184.6086 186.5849 187.1046 187.4652 188.2284 188.2955 188.3344 188.3815 188.4578 188.4723 188.5443 188.6940 188.7607 188.9091 189.2189 189.2711 189.4015 189.5331 189.9903 190.3394 191.8785 192.4375 192.8615 193.0490 193.1017 193.5104 194.3971 194.9480 195.1336 195.2608 195.7561 196.1859 197.5844 199.2185 199.4790 201.7301 201.9792 202.3113 202.7310 203.4756 203.7345 204.1787 205.3659 207.4057 208.8056 209.7292 210.0827 222.1288 223.6342 223.8868 227.5628 227.7447 227.9062 228.1195 228.6479 229.8491 230.1681 231.2048 232.8129 233.1316 233.8751 235.2776 238.7293 239.8473 240.6911 242.2275 243.3801 244.3167 245.4810 245.8951 246.4222 247.3998 247.9606 248.7809 250.6031 250.8625 251.6868 294.9786 298.1205 312.9375 614.8512 619.7109 624.2286 624.9355 628.9677 632.4768 633.2098 634.4237 635.3352 635.6912 636.3234 637.1311 637.4151 639.8619 641.3823 642.0724 648.1138 654.0038 660.7264 713.5642 882.4173 889.0987 895.4985 904.5334 1199.0533 1211.0685 1558.5225 1560.6118 1563.1900 1564.2087 1567.5158 -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 Cl F F F F F O O N N N N 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 -0.078558 -0.187980 -0.186416 -0.161054 -0.153385 -0.157988 -0.358997 -0.489858 0.172025 -0.304136 -0.417194 -0.224393 0.061294 0.117031 -0.211251 -0.002092 0.458353 -0.202464 -0.010519 0.016757 -0.115517 -0.093266 0.350178 0.264404 -0.171676 -0.180369 0.454582 -0.193724 -0.180399 -0.106435 0.240652 0.156939 0.110895 0.131722 0.149577 0.073705 0.133989 0.143167 0.138689 0.155210 0.152870 0.154465 0.159192 0.197262 0.194710 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 Cl F F F F F O O N N N N 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 17.0786 9.1880 9.1864 9.1611 9.1534 9.1580 8.3590 8.4899 6.8280 7.3041 7.4172 7.2244 5.9387 5.8830 6.2113 6.0021 5.5416 6.2025 6.0105 5.9832 6.1155 6.0933 5.6498 5.7356 6.1717 6.1804 5.5454 6.1937 6.1804 6.1064 5.7593 0.8431 0.8891 0.8683 0.8504 0.9263 0.8660 0.8568 0.8613 0.8448 0.8471 0.8455 0.8408 0.8027 0.8053 17.0000 9.0000 9.0000 9.0000 9.0000 9.0000 8.0000 8.0000 7.0000 7.0000 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 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 -0.0786 -0.1880 -0.1864 -0.1611 -0.1534 -0.1580 -0.3590 -0.4899 0.1720 -0.3041 -0.4172 -0.2244 0.0613 0.1170 -0.2113 -0.0021 0.4584 -0.2025 -0.0105 0.0168 -0.1155 -0.0933 0.3502 0.2644 -0.1717 -0.1804 0.4546 -0.1937 -0.1804 -0.1064 0.2407 0.1569 0.1109 0.1317 0.1496 0.0737 0.1340 0.1432 0.1387 0.1552 0.1529 0.1545 0.1592 0.1973 0.1947 1.2515 1.1141 1.1262 1.1543 1.1478 1.1594 1.9794 2.0340 3.3901 2.9691 3.0521 3.2158 3.7136 3.5010 3.9690 3.9497 3.6452 4.0644 3.9759 3.8716 3.4969 3.9697 4.2527 3.7437 3.9485 3.8369 4.4279 3.9171 3.8685 3.8148 4.4065 1.0165 0.9989 0.9870 1.0128 1.0254 1.0123 1.0049 1.0235 1.0007 0.9956 0.9967 0.9884 1.0150 1.0028 1.2515 1.1141 1.1262 1.1543 1.1478 1.1594 1.9794 2.0340 3.3901 2.9691 3.0521 3.2158 3.7136 3.5010 3.9690 3.9497 3.6452 4.0644 3.9759 3.8716 3.4969 3.9697 4.2527 3.7437 3.9485 3.8369 4.4279 3.9171 3.8685 3.8148 4.4065 1.0165 0.9989 0.9870 1.0128 1.0254 1.0123 1.0049 1.0235 1.0007 0.9956 0.9967 0.9884 1.0150 1.0028 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0978 1.0679 1.0996 1.1342 1.1168 1.1448 0.9867 0.9301 2.0171 1.0708 0.9409 1.3034 1.6391 1.5601 1.3104 1.3728 0.9467 0.9464 1.3622 1.3913 1.3553 0.9018 1.3319 0.9818 1.0368 0.9560 0.8082 1.4562 0.9835 1.3949 0.9833 0.9636 0.9700 1.3716 1.3002 0.9736 0.9633 0.8942 1.4520 0.9928 1.4189 1.0084 1.3792 1.0019 1.3654 1.0044 0.9907 0 18 1 22 2 22 3 26 4 26 5 26 6 15 6 19 7 30 8 9 8 12 8 16 9 23 10 16 10 23 11 30 11 43 11 44 12 14 12 17 13 14 13 15 13 18 14 31 15 32 15 33 16 20 17 21 17 34 18 21 19 22 19 35 19 36 20 24 20 25 21 37 22 26 23 30 24 27 24 38 25 28 25 39 27 29 27 40 28 29 28 41 29 42 -0.026561849 -2061.602909718018 -23.03118 24.70375 1.67257 2.05076 -1.36673 0.68402 14.01854 -11.86263 2.15591 2.81306 7.15023