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:2.964,-.5857,-1.4923;5.2561,-.57,3.741;3.2547,-1.4429,3.7753;3.6474,-2.5915,1.3882;5.3084,-2.9662,2.6991;5.5062,-1.5332,1.1035;2.535,.0193,1.5736;-4.9148,.7439,2.993;-2.7102,.6139,-.4339;-3.1597,.5675,.8181;-4.8264,1.0487,-.5861;-6.6212,1.1059,1.5449;-1.3514,.3202,-.7;.9631,.5718,-.0782;-.3791,.8483,.1355;2.0004,1.1106,.8573;-3.7214,.9198,-1.2813;-1.0029,-.5082,-1.754;1.303,-.2387,-1.1598;3.6727,.3566,2.3067;-3.6143,1.1058,-2.7293;.3347,-.7743,-1.9923;4.1948,-.9012,2.968;-4.4329,.8317,.6832;-4.5994,.5576,-3.548;-2.5791,1.8475,-3.2963;4.6666,-2.0199,2.0161;-4.5399,.7351,-4.9213;-2.5276,2.0251,-4.6698;-3.5033,1.4665,-5.4847;-5.3418,.8894,1.8586;-.6643,1.4802,.967;2.7873,1.6341,.2999;1.549,1.8411,1.5384;-1.7554,-.9571,-2.3874;4.4589,.7922,1.6766;3.4557,1.0843,3.1023;.614,-1.4141,-2.8178;-5.4066,-.0161,-3.1111;-1.822,2.3036,-2.6712;-5.3044,.2997,-5.5514;-1.7251,2.607,-5.1038;-3.458,1.6052,-6.5572;-6.9168,1.2274,.5899;-7.3158,1.1715,2.2718; 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 3221.5135367437 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 5.404e-06 Time for diagonalization 0.486 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.231 sec Total time needed 0.724 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:2.964,-.5857,-1.4923;5.2561,-.57,3.741;3.2547,-1.4429,3.7753;3.6474,-2.5915,1.3882;5.3084,-2.9662,2.6991;5.5062,-1.5332,1.1035;2.535,.0193,1.5736;-4.9148,.7439,2.993;-2.7102,.6139,-.4339;-3.1597,.5675,.8181;-4.8264,1.0487,-.5861;-6.6212,1.1059,1.5449;-1.3514,.3202,-.7;.9631,.5718,-.0782;-.3791,.8483,.1355;2.0004,1.1106,.8573;-3.7214,.9198,-1.2813;-1.0029,-.5082,-1.754;1.303,-.2387,-1.1598;3.6727,.3566,2.3067;-3.6143,1.1058,-2.7293;.3347,-.7743,-1.9923;4.1948,-.9012,2.968;-4.4329,.8317,.6832;-4.5994,.5576,-3.548;-2.5791,1.8475,-3.2963;4.6666,-2.0199,2.0161;-4.5399,.7351,-4.9213;-2.5276,2.0251,-4.6698;-3.5033,1.4665,-5.4847;-5.3418,.8894,1.8586;-.6643,1.4802,.967;2.7873,1.6341,.2999;1.549,1.8411,1.5384;-1.7554,-.9571,-2.3874;4.4589,.7922,1.6766;3.4557,1.0843,3.1023;.614,-1.4141,-2.8178;-5.4066,-.0161,-3.1111;-1.822,2.3036,-2.6712;-5.3044,.2997,-5.5514;-1.7251,2.607,-5.1038;-3.458,1.6052,-6.5572;-6.9168,1.2274,.5899;-7.3158,1.1715,2.2718; 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:2.964,-.5857,-1.4923;5.2561,-.57,3.741;3.2547,-1.4429,3.7753;3.6474,-2.5915,1.3882;5.3084,-2.9662,2.6991;5.5062,-1.5332,1.1035;2.535,.0193,1.5736;-4.9148,.7439,2.993;-2.7102,.6139,-.4339;-3.1597,.5675,.8181;-4.8264,1.0487,-.5861;-6.6212,1.1059,1.5449;-1.3514,.3202,-.7;.9631,.5718,-.0782;-.3791,.8483,.1355;2.0004,1.1106,.8573;-3.7214,.9198,-1.2813;-1.0029,-.5082,-1.754;1.303,-.2387,-1.1598;3.6727,.3566,2.3067;-3.6143,1.1058,-2.7293;.3347,-.7743,-1.9923;4.1948,-.9012,2.968;-4.4329,.8317,.6832;-4.5994,.5576,-3.548;-2.5791,1.8475,-3.2963;4.6666,-2.0199,2.0161;-4.5399,.7351,-4.9213;-2.5276,2.0251,-4.6698;-3.5033,1.4665,-5.4847;-5.3418,.8894,1.8586;-.6643,1.4802,.967;2.7873,1.6341,.2999;1.549,1.8411,1.5384;-1.7554,-.9571,-2.3874;4.4589,.7922,1.6766;3.4557,1.0843,3.1023;.614,-1.4141,-2.8178;-5.4066,-.0161,-3.1111;-1.822,2.3036,-2.6712;-5.3044,.2997,-5.5514;-1.7251,2.607,-5.1038;-3.458,1.6052,-6.5572;-6.9168,1.2274,.5899;-7.3158,1.1715,2.2718; 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 2565 GEPOL Volume 2878.3823 GEPOL Surface-area 1548.4648 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2061.57622816 3221.51353674 -5283.08976490 -9241.44617316 3958.35640825 -0.04665018 -4116.46168956 2054.88546140 2.00325603 117.000023547911 117.000023547911 234.000047095821 -164.584940252881 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 -2765.3847 -675.8360 -675.7861 -675.7755 -675.4533 -675.3950 -524.0580 -522.6832 -395.4691 -393.6415 -393.0528 -392.7110 -286.9846 -285.0812 -282.9312 -282.1831 -281.7396 -281.5512 -281.4718 -281.4592 -281.2610 -280.5490 -280.5073 -280.3316 -280.3061 -280.2712 -280.0716 -280.0381 -279.9404 -279.9060 -279.8980 -260.6575 -199.4936 -199.2597 -199.2460 -39.7431 -38.2089 -37.1961 -37.1107 -36.5379 -33.6297 -32.2532 -31.8189 -28.9105 -28.1212 -27.9071 -27.4105 -26.6870 -26.0505 -25.4414 -24.6120 -24.1467 -23.8013 -23.6164 -23.1825 -21.9833 -21.6051 -21.1682 -21.0008 -20.2202 -20.0807 -19.8558 -19.7866 -19.6607 -19.5546 -19.0950 -18.6974 -18.4926 -18.1814 -17.7639 -17.4757 -17.0809 -17.0049 -16.6287 -16.4480 -16.4082 -16.1681 -16.1611 -16.0794 -15.8428 -15.7024 -15.6238 -15.4188 -15.2485 -15.1647 -14.9285 -14.8425 -14.8203 -14.6199 -14.5080 -14.4965 -14.3572 -14.3335 -14.2982 -14.2103 -13.9916 -13.6368 -13.4540 -13.2136 -12.9058 -12.6622 -12.4732 -12.4186 -12.1659 -12.0515 -11.9562 -11.3082 -11.2121 -11.0343 -10.5894 -10.3117 -10.2441 -10.2224 -9.8979 -9.5456 -9.4358 -8.8181 0.3956 1.0179 1.0971 1.4583 1.6226 3.0225 3.0445 3.4516 3.5804 3.7896 3.9968 4.2110 4.2533 4.3285 4.4953 4.6459 4.8283 5.0158 5.1123 5.1451 5.2836 5.4055 5.4755 5.5579 5.6950 5.7652 5.9647 6.0122 6.2128 6.2366 6.3467 6.4500 6.6050 6.8701 6.9896 7.2631 7.4028 7.5312 7.5851 7.6305 7.7997 7.8627 7.9027 8.0443 8.2049 8.3262 8.3368 8.4776 8.5759 8.6150 8.6343 8.7492 8.8195 8.9191 9.0083 9.0933 9.1505 9.2774 9.2872 9.4665 9.5862 9.6508 9.8981 9.9553 9.9875 10.1344 10.2176 10.2965 10.4760 10.5039 10.7051 10.7612 10.8643 10.9147 11.0683 11.1360 11.3065 11.3275 11.4006 11.5662 11.5759 11.7163 11.8467 11.8535 12.0460 12.1538 12.1970 12.3258 12.4097 12.5128 12.5940 12.7035 12.7384 12.8568 12.9760 13.0048 13.1091 13.2756 13.5360 13.5850 13.8085 13.8635 13.8844 14.0078 14.1302 14.2398 14.2855 14.3581 14.4462 14.5096 14.5814 14.5937 14.6920 14.8599 14.9588 15.0992 15.2155 15.2293 15.3093 15.5276 15.6737 15.7577 15.9129 16.0293 16.1104 16.1919 16.2427 16.4534 16.4927 16.6004 16.7305 16.7692 16.8886 16.8985 17.0595 17.2612 17.2875 17.3931 17.5433 17.6728 17.8839 17.9957 18.1651 18.2205 18.4991 18.6505 18.8860 18.9550 19.1219 19.2979 19.5662 19.6929 19.8076 19.8332 19.8989 19.9669 20.0641 20.2041 20.4261 20.5007 20.6500 20.8026 20.9792 21.0698 21.1522 21.2273 21.3715 21.5683 21.6426 21.7722 21.8375 21.9640 22.1809 22.2093 22.2996 22.4127 22.5315 22.5855 22.7492 22.8858 22.9099 23.0842 23.1583 23.3183 23.4548 23.5920 23.7351 23.8058 23.9649 24.0595 24.1937 24.2523 24.4610 24.5471 24.5731 24.8039 24.8664 25.1632 25.2991 25.3890 25.4251 25.5362 25.6138 25.8009 25.9265 26.1016 26.1226 26.3369 26.5224 26.6459 26.8000 26.8886 26.9569 27.2290 27.3805 27.4033 27.6555 27.8210 27.8698 28.1189 28.1701 28.2648 28.4394 28.5265 28.7703 28.9663 29.0107 29.2073 29.2801 29.3568 29.4148 29.7045 29.8461 30.0446 30.1936 30.3523 30.5668 30.6783 30.8049 30.9824 31.2100 31.5379 31.5862 31.6105 31.7175 32.0544 32.0714 32.1834 32.3180 32.4621 32.4789 32.5986 32.8282 33.0472 33.1561 33.5251 33.7479 33.7743 34.0079 34.1649 34.2588 34.4040 34.6507 34.7150 35.1004 35.1840 35.1944 35.2932 35.3802 35.4762 35.6391 35.9170 36.0138 36.1545 36.4494 36.6686 36.7706 36.9721 37.1125 37.2494 37.4517 37.5270 37.8142 37.9030 37.9534 38.1569 38.3359 38.4171 38.4563 38.6271 38.7530 38.8801 39.2719 39.2998 39.3686 39.5182 39.6053 39.8174 39.9767 40.0207 40.1628 40.3489 40.4548 40.6914 40.7576 40.8089 41.0841 41.1950 41.3850 41.5835 41.8345 41.9223 42.0970 42.1971 42.3307 42.4592 42.7132 42.7365 42.9865 43.2280 43.3967 43.4281 43.5870 43.7547 43.8821 44.0571 44.1858 44.5515 44.5655 44.8147 45.0732 45.2826 45.3597 45.4734 45.6997 45.7544 46.0228 46.4101 46.5425 46.8482 47.0251 47.1041 47.4200 47.5905 47.7686 47.9754 48.0690 48.1088 48.2384 48.5584 48.6069 48.6911 49.0269 49.1587 49.4584 49.5993 49.7946 50.0442 50.1283 50.2761 50.3966 50.8282 50.9993 51.0723 51.2120 51.4445 51.5752 51.7443 52.0818 52.1030 52.4196 52.5205 52.7120 52.8340 53.0750 53.4108 53.4754 53.6626 53.8371 53.8946 54.0183 54.1456 54.3724 54.7738 54.9647 55.0449 55.2502 55.3707 55.4204 55.5469 55.7295 56.0039 56.1414 56.1926 56.3190 56.5613 56.7392 57.1127 57.1767 57.2384 57.4977 57.8107 57.9588 57.9994 58.2142 58.3034 58.5881 58.9322 59.0435 59.2568 59.3209 59.5406 59.7222 60.0017 60.1103 60.3240 60.5806 60.7365 60.9729 61.1456 61.4325 61.5397 61.7180 61.8942 62.0704 62.1097 62.3319 62.4867 62.5146 62.7092 62.9382 63.5584 63.7236 63.8961 64.1809 64.2953 64.6501 64.8192 64.9369 65.1065 65.1815 65.2439 65.4984 65.7402 65.7866 66.1443 66.2468 66.6088 66.7374 66.8965 67.0959 67.1143 67.2954 67.3486 67.6080 67.7890 67.9492 68.2641 68.3823 68.5723 68.6067 68.7150 68.9333 69.3419 69.5396 69.7103 70.0448 70.2674 70.5434 70.7312 70.9479 71.2498 71.7805 72.0963 72.1843 72.3087 72.5402 72.8817 73.2295 73.8346 74.2264 74.3177 74.8976 74.9928 75.0794 75.1633 75.4468 75.7266 75.9626 76.0071 76.2215 76.3357 76.4682 76.4902 76.8956 77.1500 77.4874 77.6029 77.7287 77.8803 78.1523 78.2728 78.3483 78.4180 78.5802 78.7687 78.9855 79.0393 79.2202 79.3638 79.4955 79.5652 79.6842 79.8973 80.1780 80.3973 80.5187 80.6737 80.9288 81.0660 81.3623 81.6909 81.8030 81.9422 82.0995 82.1721 82.3898 82.4368 82.6487 82.8272 82.9504 83.0372 83.2028 83.3306 83.4137 83.5770 83.6827 83.8222 83.8891 84.0886 84.1153 84.3088 84.3810 84.4840 84.5743 84.6547 84.7991 84.8815 85.0464 85.2223 85.4094 85.5129 85.5508 85.6367 85.7106 85.8481 85.9264 86.0004 86.1158 86.2247 86.4609 86.5602 86.6901 86.8621 86.9578 87.1765 87.2483 87.4111 87.5015 87.7281 87.8077 87.9047 88.1238 88.1802 88.3797 88.4662 88.5050 88.7057 88.7480 88.8534 88.9439 89.1278 89.2519 89.4050 89.6108 89.7192 89.8050 89.9470 90.2196 90.2493 90.3144 90.5893 90.8058 90.9368 91.0098 91.1066 91.2948 91.3434 91.4871 91.6808 91.7224 92.0315 92.3016 92.4056 92.4822 92.7032 92.7870 92.8199 92.8915 93.0577 93.2032 93.3917 93.4934 93.6911 93.8158 93.9489 94.1229 94.3711 94.4316 94.5041 94.7697 95.1411 95.1699 95.3493 95.4703 95.5677 95.7066 95.8853 96.0776 96.2236 96.3463 96.6026 96.6437 96.7328 96.8518 96.9824 97.1305 97.2298 97.4773 97.5736 97.7831 97.8427 97.9751 98.0631 98.1342 98.4593 98.5461 98.7681 99.0552 99.2019 99.3250 99.4601 99.5442 99.7850 99.8417 100.0108 100.3035 100.4587 100.5574 100.9335 101.2070 101.3875 101.5575 101.7366 102.0939 102.4094 102.4494 102.6422 102.6612 102.7674 102.8432 103.2335 103.2569 103.3935 103.7245 103.9881 104.0880 104.2248 104.5328 104.6656 104.9320 105.0673 105.1509 105.2126 105.3754 105.6337 105.7009 105.8120 106.0448 106.1400 106.3067 106.5769 106.6660 106.7647 106.8015 106.8375 107.0536 107.4084 107.5481 107.6844 107.8242 108.0012 108.2114 108.3949 108.4573 108.5908 108.7355 108.8600 109.1953 109.3086 109.4106 109.5147 109.6335 109.7142 109.9885 110.0916 110.3705 110.4549 110.5924 110.8395 110.9856 111.2814 111.3174 111.5084 111.5999 111.8447 112.1746 112.2993 112.4801 112.6679 113.0601 113.2119 113.3091 113.4766 113.8414 113.8797 114.0309 114.1160 114.3583 114.5029 114.6090 114.7093 114.8927 114.9508 115.0240 115.4580 115.5959 115.7704 115.8927 116.1096 116.2191 116.4937 116.7449 117.0576 117.1943 117.2263 117.4479 117.5379 117.7787 117.8438 118.1263 118.1387 118.5486 118.8174 118.8321 119.0053 119.1175 119.4008 119.5270 119.5673 119.7904 120.1020 120.1741 120.2963 120.5137 120.7558 120.8583 121.0935 121.2676 121.5881 121.9289 122.2607 122.5064 122.7675 122.9427 123.1074 123.3809 123.8546 124.1123 124.2266 124.5100 125.0067 125.4373 125.5836 125.9125 126.3588 126.5991 126.8939 127.2923 127.6714 128.1848 128.4899 128.7514 129.1640 129.2770 129.3725 129.4866 129.7333 130.2957 130.3282 130.5747 130.6932 131.0431 131.2294 131.3399 131.6464 131.9048 132.3204 132.6991 132.7940 133.0249 133.0618 133.2419 133.4132 133.6792 134.0833 134.1505 134.3426 134.6299 134.9446 135.3767 135.4537 135.4865 135.7164 135.9911 136.3646 136.8811 137.2477 137.4025 137.6072 138.1058 138.3386 138.4084 138.6315 138.9356 139.1428 139.5677 139.7969 140.1035 140.6412 141.1168 141.8077 142.0482 142.1778 142.4214 142.4776 142.7214 143.0530 143.2936 143.5897 143.9433 144.1016 144.4491 144.5357 145.0440 145.3406 145.5423 145.8529 146.4198 146.6132 147.0188 147.3654 147.4075 147.6961 148.0917 148.3136 148.4400 148.6070 148.7513 148.7784 149.2066 149.3155 149.3570 150.0015 150.1770 150.5315 150.7233 151.1281 151.2626 151.4844 151.9869 152.4831 152.8567 152.9439 153.3899 153.9431 154.1331 154.3118 155.0219 155.6444 155.9429 156.3132 156.5823 156.9702 157.2310 157.3879 157.7668 158.0882 158.2593 158.8077 159.2041 159.7185 160.0535 160.3936 160.5137 161.6340 162.6390 163.6763 164.3637 165.5027 165.9092 166.6958 167.2204 168.0906 168.4960 169.2027 169.7047 170.8874 171.0621 171.7297 172.5340 173.4321 174.7442 175.1473 176.6194 177.2789 180.5800 180.8064 183.2518 183.5397 184.5907 186.3250 187.0599 187.1831 188.2565 188.3105 188.3644 188.3923 188.3966 188.5064 188.5218 188.6503 188.7657 188.9123 189.1542 189.2735 189.4152 189.5219 190.1176 190.4424 191.6469 192.3927 192.8159 192.9446 192.9726 193.4440 194.1890 194.2988 194.8652 195.1286 195.7242 196.2106 197.3480 199.0518 199.2499 201.8071 201.9434 202.2764 203.2584 203.4359 203.8119 204.1946 204.8972 207.0684 208.6235 209.7775 210.0462 222.6366 223.9491 224.2870 227.5936 227.8091 228.0085 228.0856 228.5429 230.1068 230.3813 231.0716 232.6388 232.9303 233.6922 235.2026 238.5607 239.8139 240.7290 242.2716 243.4001 244.0539 245.2266 245.8101 246.1944 246.8701 247.5481 247.8322 248.7597 250.4735 250.7208 295.9865 299.4681 313.2922 614.4513 618.7041 622.2937 624.2938 628.3122 632.1570 633.2516 634.4109 634.7319 635.5629 636.3075 636.9464 637.0525 637.9698 641.3256 642.7942 648.0502 654.1095 660.2745 716.0744 882.2621 888.6439 895.4744 904.1498 1198.9963 1210.3324 1558.1876 1559.0364 1562.5160 1563.5490 1566.4821 -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 -0.077262 -0.186646 -0.186259 -0.155687 -0.161522 -0.166137 -0.336837 -0.489015 0.171822 -0.303973 -0.417435 -0.224215 0.039620 -0.019636 -0.093077 0.019313 0.488269 -0.176007 0.039801 -0.025821 -0.174109 -0.112497 0.339409 0.268414 -0.166982 -0.191401 0.460168 -0.194130 -0.168553 -0.108024 0.238481 0.137385 0.114678 0.102971 0.167814 0.113943 0.119849 0.144541 0.142376 0.158883 0.157201 0.157745 0.160609 0.197418 0.194516 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 17.0773 9.1866 9.1863 9.1557 9.1615 9.1661 8.3368 8.4890 6.8282 7.3040 7.4174 7.2242 5.9604 6.0196 6.0931 5.9807 5.5117 6.1760 5.9602 6.0258 6.1741 6.1125 5.6606 5.7316 6.1670 6.1914 5.5398 6.1941 6.1686 6.1080 5.7615 0.8626 0.8853 0.8970 0.8322 0.8861 0.8802 0.8555 0.8576 0.8411 0.8428 0.8423 0.8394 0.8026 0.8055 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 -0.0773 -0.1866 -0.1863 -0.1557 -0.1615 -0.1661 -0.3368 -0.4890 0.1718 -0.3040 -0.4174 -0.2242 0.0396 -0.0196 -0.0931 0.0193 0.4883 -0.1760 0.0398 -0.0258 -0.1741 -0.1125 0.3394 0.2684 -0.1670 -0.1914 0.4602 -0.1941 -0.1686 -0.1080 0.2385 0.1374 0.1147 0.1030 0.1678 0.1139 0.1198 0.1445 0.1424 0.1589 0.1572 0.1577 0.1606 0.1974 0.1945 1.2488 1.1204 1.1251 1.1615 1.1529 1.1487 1.9545 2.0349 3.3836 2.9670 3.0459 3.2159 3.7533 3.7632 3.9798 3.9201 3.5938 3.9853 3.9172 3.9229 3.5130 3.9917 4.2438 3.7367 3.9710 3.8930 4.4350 3.9602 3.9248 3.8748 4.4072 1.0268 0.9901 1.0021 0.9861 1.0076 1.0027 1.0056 1.0205 0.9994 0.9946 0.9940 0.9890 1.0150 1.0031 1.2488 1.1204 1.1251 1.1615 1.1529 1.1487 1.9545 2.0349 3.3836 2.9670 3.0459 3.2159 3.7533 3.7632 3.9798 3.9201 3.5938 3.9853 3.9172 3.9229 3.5130 3.9917 4.2438 3.7367 3.9710 3.8930 4.4350 3.9602 3.9248 3.8748 4.4072 1.0268 0.9901 1.0021 0.9861 1.0076 1.0027 1.0056 1.0205 0.9994 0.9946 0.9940 0.9890 1.0150 1.0031 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.0780 1.0783 1.0965 1.1452 1.1354 1.1197 0.9522 0.9780 2.0179 1.0662 0.9545 1.2944 1.6356 1.5620 1.3034 1.3720 0.9466 0.9466 1.4084 1.3358 1.4372 0.9632 1.3147 0.9484 0.9880 0.9769 0.7699 1.4470 0.9909 1.4079 0.9933 0.9611 0.9628 1.3856 1.3114 0.9709 0.9602 0.8952 1.4701 0.9859 1.4587 0.9977 1.4064 0.9834 1.4030 0.9830 0.9771 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 -0.022392114 -2061.598620274620 -45.46612 44.79890 -0.66723 22.24022 -20.37306 1.86716 -26.55216 23.01674 -3.53543 4.05348 10.30314