Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 Cl Cl O O O N C C 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 H 1 1 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-1.5912,-5.5355,-.2271;-4.4649,-5.2869,-.275;.6265,-.9954,.216;-.7179,.6671,.8558;2.4909,4.4531,.2521;3.5437,-2.2112,1.1573;-1.4546,-1.4098,-2.0187;-1.6018,-2.4596,-.9539;-1.6041,-.9903,-.5693;-.1265,-1.3047,-2.729;-2.6209,-1.0772,-2.9182;-2.8504,-3.2124,-.7767;-.5462,-.3498,.2325;-2.9441,-4.5,-.4703;1.7206,-.3616,.8767;2.2571,.8009,.0747;2.7333,-1.409,1.0248;2.135,2.0855,.5842;2.8217,.5847,-1.1772;2.5545,3.165,-.1832;3.2573,1.6697,-1.9209;3.1168,2.9605,-1.436;1.4945,4.8874,1.0834;.1744,4.4695,.9595;1.851,5.8377,2.0304;-.785,5.0038,1.8083;.8778,6.3733,2.8611;-.4419,5.9547,2.7599;-.6914,-3.0008,-.7248;-2.5746,-.5717,-.3268;.1089,-.2656,-2.9674;-.18,-1.852,-3.672;.7031,-1.7225,-2.1641;-2.7051,-1.811,-3.7219;-2.47,-.0992,-3.3786;-3.5751,-1.043,-2.3938;-3.7839,-2.675,-.8954;1.4357,-.0361,1.882;1.7087,2.2349,1.5682;2.9256,-.4175,-1.575;3.7034,1.5125,-2.894;3.4466,3.8087,-2.0226;-.1141,3.7384,.2146;2.8825,6.1588,2.1095;-1.812,4.6745,1.715;1.1582,7.117,3.596;-1.1977,6.3687,3.4144; 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 1585 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 216 Dim 1156 ENuc 2741.5181171182 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 6.478e-06 Time for diagonalization 0.438 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.410 sec Total time needed 0.863 sec 17 17 8 8 8 7 6 6 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 1 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-1.5912,-5.5355,-.2271;-4.4649,-5.2869,-.275;.6265,-.9954,.216;-.7179,.6671,.8558;2.4909,4.4531,.2521;3.5437,-2.2112,1.1573;-1.4546,-1.4098,-2.0187;-1.6018,-2.4596,-.9539;-1.6041,-.9903,-.5693;-.1265,-1.3047,-2.729;-2.6209,-1.0772,-2.9182;-2.8504,-3.2124,-.7767;-.5462,-.3498,.2325;-2.9441,-4.5,-.4703;1.7206,-.3616,.8767;2.2571,.8009,.0747;2.7333,-1.409,1.0248;2.135,2.0855,.5842;2.8217,.5847,-1.1772;2.5545,3.165,-.1832;3.2573,1.6697,-1.9209;3.1168,2.9605,-1.436;1.4945,4.8874,1.0834;.1744,4.4695,.9595;1.851,5.8377,2.0304;-.785,5.0038,1.8083;.8778,6.3733,2.8611;-.4419,5.9547,2.76;-.6914,-3.0008,-.7248;-2.5746,-.5717,-.3268;.1089,-.2656,-2.9674;-.18,-1.852,-3.672;.7031,-1.7225,-2.1641;-2.7051,-1.811,-3.7219;-2.47,-.0992,-3.3786;-3.5751,-1.043,-2.3938;-3.7839,-2.675,-.8954;1.4357,-.0361,1.882;1.7087,2.2349,1.5682;2.9256,-.4175,-1.575;3.7034,1.5125,-2.894;3.4466,3.8087,-2.0226;-.1141,3.7384,.2146;2.8825,6.1588,2.1095;-1.812,4.6745,1.715;1.1582,7.117,3.596;-1.1977,6.3687,3.4144; 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" 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-1.5912,-5.5355,-.2271;-4.4649,-5.2869,-.275;.6265,-.9954,.216;-.7179,.6671,.8558;2.4909,4.4531,.2521;3.5437,-2.2112,1.1573;-1.4546,-1.4098,-2.0187;-1.6018,-2.4596,-.9539;-1.6041,-.9903,-.5693;-.1265,-1.3047,-2.729;-2.6209,-1.0772,-2.9182;-2.8504,-3.2124,-.7767;-.5462,-.3498,.2325;-2.9441,-4.5,-.4703;1.7206,-.3616,.8767;2.2571,.8009,.0747;2.7333,-1.409,1.0248;2.135,2.0855,.5842;2.8217,.5847,-1.1772;2.5545,3.165,-.1832;3.2573,1.6697,-1.9209;3.1168,2.9605,-1.436;1.4945,4.8874,1.0834;.1744,4.4695,.9595;1.851,5.8377,2.0304;-.785,5.0038,1.8083;.8778,6.3733,2.8611;-.4419,5.9547,2.7599;-.6914,-3.0008,-.7248;-2.5746,-.5717,-.3268;.1089,-.2656,-2.9674;-.18,-1.852,-3.672;.7031,-1.7225,-2.1641;-2.7051,-1.811,-3.7219;-2.47,-.0992,-3.3786;-3.5751,-1.043,-2.3938;-3.7839,-2.675,-.8954;1.4357,-.0361,1.882;1.7087,2.2349,1.5682;2.9256,-.4175,-1.575;3.7034,1.5125,-2.894;3.4466,3.8087,-2.0226;-.1141,3.7384,.2146;2.8825,6.1588,2.1095;-1.812,4.6745,1.715;1.1582,7.117,3.596;-1.1977,6.3687,3.4144; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 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 2772 GEPOL Volume 2970.9581 GEPOL Surface-area 1641.3776 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.7s -2050.68363324 2741.51811712 -4792.20175036 -8258.14850700 3465.94675665 -0.03100763 -4095.14612710 2044.46249386 2.00304292 108.000089431482 108.000089431482 216.000178862964 -151.863343253866 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.6721 -2765.6240 -525.2581 -524.6923 -523.3608 -392.9455 -283.7311 -282.8875 -282.8092 -281.7350 -281.5756 -281.2787 -280.6489 -280.5468 -280.4233 -280.4010 -280.3490 -280.0391 -279.9894 -279.9171 -279.8992 -279.8317 -279.8204 -279.7822 -279.7336 -279.6382 -279.3425 -279.2996 -260.9405 -260.8916 -199.7818 -199.7350 -199.5359 -199.5298 -199.4847 -199.4811 -34.1850 -33.0497 -31.5430 -28.4959 -28.4335 -27.6915 -27.2067 -26.6722 -26.0135 -25.3959 -24.1952 -24.1178 -23.7357 -23.6440 -23.1910 -22.9070 -21.9825 -21.2250 -20.6762 -20.1245 -19.7212 -19.4019 -19.1049 -18.6518 -18.2381 -17.8805 -17.4724 -17.1125 -16.7446 -16.5179 -16.2302 -16.1383 -15.9809 -15.9130 -15.7653 -15.4455 -15.0131 -14.8325 -14.7223 -14.5532 -14.3512 -14.2786 -14.1569 -14.0362 -13.8991 -13.8589 -13.5798 -13.3569 -13.2530 -13.0894 -12.9991 -12.8463 -12.8160 -12.6858 -12.6295 -12.3865 -12.3352 -12.1329 -12.0462 -11.8302 -11.7575 -11.7330 -11.6017 -11.3992 -11.2154 -10.8612 -10.3198 -9.6821 -9.4849 -9.4325 -8.8856 -8.4621 0.9364 1.3339 1.4019 1.6879 2.0461 2.1680 2.4883 2.5549 2.9222 3.1591 3.2456 3.6953 3.8442 4.0396 4.1815 4.2834 4.5101 4.6993 4.7450 4.7988 4.8605 5.0434 5.0880 5.2844 5.3258 5.5538 5.6026 5.6494 5.8482 6.0021 6.1231 6.1475 6.1956 6.2580 6.4336 6.6275 6.7992 6.8294 6.9637 7.2034 7.3212 7.3241 7.5592 7.6288 7.7169 7.7827 7.8468 7.9562 7.9747 8.1389 8.2143 8.2761 8.3106 8.3919 8.4408 8.6319 8.7093 8.8378 8.9972 9.0471 9.2140 9.2578 9.3102 9.3750 9.4951 9.6069 9.6384 9.8288 10.0383 10.0863 10.1678 10.1970 10.4906 10.5886 10.6285 10.7068 10.8308 10.9535 10.9980 11.0774 11.0961 11.2339 11.3388 11.4115 11.4733 11.6175 11.7322 11.7946 11.8762 11.9199 12.0540 12.1059 12.2663 12.2884 12.3116 12.5249 12.6198 12.6631 12.7521 12.8505 12.8859 12.9662 13.0378 13.1549 13.2023 13.3982 13.4233 13.5466 13.6338 13.8309 13.8954 13.9778 14.0780 14.1076 14.2508 14.2790 14.3873 14.4894 14.5165 14.7007 14.7708 14.8775 14.9969 15.0194 15.0960 15.1739 15.3127 15.4135 15.5249 15.5660 15.7731 15.8591 15.8854 15.9283 16.0578 16.1880 16.2707 16.3242 16.3963 16.4595 16.6482 16.7574 16.9049 16.9434 17.0239 17.1055 17.2998 17.4270 17.4859 17.5445 17.8166 17.9189 18.0089 18.2311 18.2984 18.4429 18.6339 18.7969 18.9998 19.0742 19.1125 19.2920 19.3517 19.5561 19.7103 19.7677 19.9475 20.2218 20.3860 20.4157 20.4438 20.5762 20.6539 20.7495 20.8345 20.9285 21.0646 21.2314 21.2347 21.4641 21.4972 21.7003 21.7531 21.8004 22.0660 22.2090 22.4039 22.4611 22.5884 22.6655 22.8733 23.0668 23.1598 23.2889 23.3584 23.5211 23.6702 23.7551 23.9032 24.2609 24.3165 24.5202 24.6494 24.7849 24.9060 25.0482 25.1271 25.2470 25.3825 25.5215 25.8558 25.9868 26.1969 26.3423 26.4557 26.5865 26.7239 26.7792 26.9311 27.2503 27.3583 27.6031 27.6150 27.6972 27.9225 28.1023 28.2578 28.3480 28.5185 28.6021 28.6848 28.9347 28.9396 29.1389 29.3258 29.4722 29.6000 29.6441 29.6630 29.9951 30.0173 30.2203 30.2990 30.5147 30.6312 30.7292 30.8545 31.0150 31.1917 31.3544 31.5387 31.6686 31.8816 32.0698 32.0812 32.4640 32.5312 32.6310 32.7101 32.7945 32.9584 33.0053 33.0440 33.2110 33.2490 33.5067 33.6048 33.8933 34.0787 34.1844 34.3535 34.4361 34.5662 34.7154 34.7723 35.0494 35.2068 35.2751 35.3577 35.5421 35.5777 35.7322 36.0096 36.2060 36.2556 36.3097 36.5007 36.6727 36.7377 36.9743 37.0501 37.0738 37.2268 37.3462 37.5354 37.5961 37.7667 37.9563 38.1273 38.2162 38.3448 38.3988 38.5803 38.7084 38.7268 38.8770 39.0196 39.2075 39.2954 39.4179 39.4954 39.7164 39.8129 39.9412 40.2145 40.2797 40.4687 40.6217 40.8181 40.9692 41.0616 41.1079 41.2236 41.5793 41.6535 41.8741 41.9121 42.0858 42.2309 42.4154 42.4573 42.6413 42.7432 42.8436 42.9418 43.0637 43.2101 43.3314 43.4601 43.6328 43.7976 44.0145 44.0750 44.3084 44.3983 44.5492 44.6326 44.7081 44.7540 44.8983 45.0601 45.0909 45.4552 45.6383 45.7393 45.9084 46.0182 46.1521 46.3104 46.3453 46.4470 46.7793 46.8673 47.0292 47.3347 47.5682 47.6093 48.0008 48.0816 48.1762 48.3245 48.5224 48.6487 48.9138 48.9910 49.1531 49.2115 49.4951 49.7350 49.8046 49.9429 50.1067 50.3792 50.5611 50.6778 50.7262 50.8688 51.0316 51.1434 51.2415 51.4543 51.7248 51.8470 51.9346 52.2390 52.3165 52.3352 52.4185 52.4752 52.6562 52.8887 53.0863 53.2276 53.5317 53.7536 53.9947 54.1536 54.3636 54.5674 54.7705 54.9079 55.3012 55.4552 55.6545 55.8914 56.1178 56.4468 56.6115 56.7783 57.0198 57.0940 57.2098 57.3567 57.4963 57.7549 57.9329 57.9947 58.0848 58.1765 58.4661 58.6394 58.6808 59.0852 59.1610 59.2817 59.3291 59.5113 59.7415 59.8391 59.8873 60.1240 60.3940 60.6199 60.9583 61.1731 61.4596 61.7380 61.8788 61.9969 62.3751 62.6494 62.9141 62.9825 63.0119 63.2080 63.4317 63.5578 63.7330 63.8206 63.9895 64.2886 64.5661 64.6431 64.7345 64.9346 65.0547 65.2916 65.4097 65.8734 66.0926 66.1517 66.3150 66.5261 66.6618 66.8599 67.0411 67.2417 67.3611 67.7471 67.7903 67.8227 68.2140 68.4303 68.6786 68.8788 69.0088 69.2219 69.3292 69.6003 70.0041 70.4038 70.5621 70.9952 71.5417 71.7011 72.0811 72.4984 72.5927 72.7844 73.0403 73.4341 73.4574 73.6077 73.8047 73.8540 74.0625 74.4319 74.5306 74.7091 74.8912 75.0004 75.1650 75.3786 76.0680 76.1070 76.1535 76.3746 76.4688 76.5582 76.6583 76.9099 77.0724 77.2446 77.3807 77.5258 77.7170 77.8822 77.9932 78.2615 78.4349 78.5046 78.7423 78.8257 78.9601 79.0671 79.1640 79.2656 79.4147 79.6253 79.6983 79.7571 79.8655 80.0258 80.3199 80.3677 80.5052 80.6346 80.6664 81.0635 81.2810 81.3407 81.6643 81.7819 81.7955 81.9585 82.1611 82.2590 82.3523 82.4637 82.7403 82.8218 82.9465 82.9704 83.0766 83.3812 83.5725 83.7577 83.7811 83.8847 84.1012 84.3824 84.4493 84.5654 84.6145 84.7616 85.0162 85.0460 85.1135 85.1940 85.3848 85.4769 85.5200 85.6280 85.8120 85.8537 85.9581 86.1555 86.2476 86.3231 86.5161 86.7242 86.8408 86.9721 87.0915 87.1605 87.2751 87.4375 87.7316 87.7971 88.0266 88.1504 88.1860 88.4362 88.5384 88.6878 88.7224 88.9499 89.0010 89.0227 89.2586 89.3773 89.5341 89.5984 89.6598 89.7522 89.8936 89.9908 90.2770 90.3348 90.5081 90.6105 90.7902 91.0208 91.1260 91.2095 91.4050 91.5947 91.7978 91.8758 92.0726 92.2584 92.3407 92.5456 92.6139 92.6554 92.8447 92.9557 93.0879 93.2139 93.2592 93.4063 93.5188 93.5635 93.6328 93.7264 93.9050 93.9789 94.0711 94.2159 94.3152 94.3643 94.5994 94.6512 94.8229 94.9093 95.0838 95.1686 95.3585 95.4826 95.7402 95.7819 95.9765 96.1082 96.2322 96.5694 96.6904 96.8658 96.9023 97.0003 97.0570 97.2310 97.4532 97.6116 97.7732 97.9615 98.0766 98.1251 98.3152 98.4571 98.5242 98.7720 98.8099 98.9720 99.0639 99.1964 99.2649 99.5642 99.8074 100.1421 100.2194 100.4698 100.5928 100.8626 101.0303 101.1024 101.2886 101.5936 101.6609 101.8264 102.0273 102.3626 102.4873 102.7847 102.8781 103.0416 103.1550 103.4016 103.7629 103.9774 104.1686 104.4005 104.5904 104.8287 104.9534 105.1202 105.3555 105.3965 105.5049 105.6076 105.6498 105.8485 105.9960 106.0542 106.2299 106.3346 106.4333 106.5127 106.6282 106.8480 107.0980 107.2845 107.4430 107.5379 107.6920 107.9465 107.9775 108.1415 108.4530 108.5399 108.7259 108.8635 109.1459 109.4363 109.5035 109.7074 109.9265 110.0055 110.0949 110.2233 110.4662 110.5036 110.6821 110.8776 111.0071 111.1586 111.2534 111.4958 111.5823 111.7116 111.9093 111.9674 112.5407 112.6471 112.8238 112.9359 113.1590 113.3130 113.3703 113.4642 113.6474 113.9365 114.1956 114.3825 114.7930 114.8671 115.0484 115.2372 115.4307 115.5102 115.7434 115.9476 116.0063 116.2533 116.4060 116.4319 116.5378 116.7084 116.9130 117.0091 117.0292 117.2819 117.4766 117.5244 117.8001 118.0171 118.1761 118.2011 118.3670 118.3875 118.5215 118.5756 118.6682 118.9406 119.0029 119.0881 119.2625 119.4033 119.6091 119.7787 120.0001 120.2809 120.3114 120.5459 120.7600 120.9975 121.2366 121.4274 121.4833 121.8177 121.8786 122.0375 122.2012 122.3316 122.8019 123.0117 123.2220 123.3592 123.5310 123.9829 124.2394 124.3276 124.6112 125.2625 125.4080 125.8027 125.8974 125.9666 126.3916 126.5728 126.6842 127.0375 127.2354 127.4342 127.5807 127.8990 128.0435 128.8070 129.0315 129.2226 129.2469 129.3997 129.5036 129.8448 129.8624 130.0541 130.1815 130.5139 130.7753 130.8082 131.0695 131.1840 131.5333 131.6367 131.8519 131.9274 132.1242 132.2660 132.6477 132.8906 133.1576 133.3765 133.5382 133.5807 134.1244 134.4282 134.7741 135.0155 135.2517 135.4211 135.5957 135.8044 136.3797 136.5089 137.1469 137.3325 137.8116 138.0422 138.0815 138.4209 138.6298 138.8053 139.0054 139.3580 139.5311 139.6823 140.3344 140.9956 141.1221 141.3362 141.3578 141.8247 142.0579 142.2777 142.6236 143.0258 143.8455 143.8584 144.1631 144.2725 144.3559 144.5663 144.8433 144.9739 145.3380 145.3646 145.6483 145.7981 146.1260 146.2871 146.7245 146.9184 147.4967 147.6565 147.7511 147.9738 148.1378 148.3362 148.4802 148.5204 149.0028 149.5198 149.8510 150.1732 150.3602 150.7795 151.0813 151.5582 151.8621 152.0875 152.3160 152.3868 152.7305 152.8262 153.5666 154.3488 154.4647 154.5314 154.8743 155.8423 155.9806 156.3021 156.3958 156.9645 157.0562 157.2651 157.7646 158.0998 158.6561 159.0980 159.5325 159.7310 160.0208 160.2078 160.7132 161.0648 161.8419 161.8985 162.3542 162.5222 163.2289 163.8099 164.4729 165.8421 167.2576 168.4186 169.3383 170.4600 171.5762 172.4713 172.6918 172.7905 174.4677 175.6614 177.5552 177.9703 178.7266 180.9341 182.1708 185.3643 186.9900 187.2429 187.5393 188.2774 189.2380 192.3649 192.9570 193.4044 194.9394 196.7442 198.6580 202.4986 205.6955 206.6883 207.3779 221.3303 221.6555 222.4291 222.9086 222.9442 223.5259 225.7866 225.9666 227.8813 229.2777 294.4902 294.7560 295.7095 297.1407 308.5108 313.3778 609.2393 617.9659 620.5909 625.2209 629.4131 630.6064 631.6186 632.3431 634.1735 634.2874 635.1532 635.6239 636.7040 636.8566 637.7164 640.2271 642.6444 643.4956 647.3011 650.5868 657.3328 658.0520 701.9670 707.6254 876.9004 1199.3272 1212.6771 1215.0732 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 Cl Cl O O O N C C 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 H -0.054496 -0.059635 -0.265514 -0.441839 -0.323415 -0.085317 0.104329 0.049891 -0.100978 -0.281134 -0.269714 -0.219756 0.414054 0.042600 0.350288 0.065860 -0.220237 -0.211205 -0.274077 0.313205 -0.111332 -0.240989 0.312476 -0.213144 -0.263129 -0.134037 -0.111969 -0.192552 0.090728 0.097246 0.104625 0.101972 0.090672 0.100750 0.099658 0.091500 0.128315 0.141476 0.146165 0.150400 0.159228 0.147778 0.151448 0.145507 0.159161 0.157134 0.158002 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 Cl Cl O O O N C C 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 H 17.0545 17.0596 8.2655 8.4418 8.3234 7.0853 5.8957 5.9501 6.1010 6.2811 6.2697 6.2198 5.5859 5.9574 5.6497 5.9341 6.2202 6.2112 6.2741 5.6868 6.1113 6.2410 5.6875 6.2131 6.2631 6.1340 6.1120 6.1926 0.9093 0.9028 0.8954 0.8980 0.9093 0.8992 0.9003 0.9085 0.8717 0.8585 0.8538 0.8496 0.8408 0.8522 0.8486 0.8545 0.8408 0.8429 0.8420 17.0000 17.0000 8.0000 8.0000 8.0000 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 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 1.0000 -0.0545 -0.0596 -0.2655 -0.4418 -0.3234 -0.0853 0.1043 0.0499 -0.1010 -0.2811 -0.2697 -0.2198 0.4141 0.0426 0.3503 0.0659 -0.2202 -0.2112 -0.2741 0.3132 -0.1113 -0.2410 0.3125 -0.2131 -0.2631 -0.1340 -0.1120 -0.1926 0.0907 0.0972 0.1046 0.1020 0.0907 0.1008 0.0997 0.0915 0.1283 0.1415 0.1462 0.1504 0.1592 0.1478 0.1514 0.1455 0.1592 0.1571 0.1580 1.2714 1.2452 2.1350 2.0628 2.0934 3.1098 3.6952 3.8501 3.8671 3.9158 3.9132 3.8877 4.1838 4.2182 3.8021 3.5156 4.0591 3.9478 3.9817 3.7144 3.9137 4.0283 3.6734 3.9147 4.0186 3.8869 3.8764 3.9154 1.0344 1.0299 0.9968 1.0021 1.0109 1.0007 1.0003 1.0061 1.0206 1.0159 1.0101 0.9999 0.9895 1.0059 1.0076 1.0088 0.9905 0.9892 0.9906 1.2714 1.2452 2.1350 2.0628 2.0934 3.1098 3.6952 3.8501 3.8671 3.9158 3.9132 3.8877 4.1838 4.2182 3.8021 3.5156 4.0591 3.9478 3.9817 3.7144 3.9137 4.0283 3.6734 3.9147 4.0186 3.8869 3.8764 3.9154 1.0344 1.0299 0.9968 1.0021 1.0109 1.0007 1.0003 1.0061 1.0206 1.0159 1.0101 0.9999 0.9895 1.0059 1.0076 1.0088 0.9905 0.9892 0.9906 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 1.1889 1.1597 1.1529 0.8927 1.8834 0.9756 0.9355 3.0565 0.8977 0.8698 0.9402 0.9499 0.9112 1.0217 0.9908 1.0495 0.9990 0.9947 0.9888 0.9880 0.9944 0.9861 0.9901 1.8603 0.9510 0.8848 0.9327 0.9885 1.3468 1.3218 1.3702 0.9603 1.4486 0.9882 1.3838 1.4335 0.9811 0.9829 1.3499 1.3797 1.4179 0.9669 1.4351 0.9844 1.4171 0.9753 1.4025 0.9786 0.9820 0 13 1 13 2 12 2 14 3 12 4 19 4 22 5 16 6 7 6 8 6 9 6 10 7 8 7 11 7 28 8 12 8 29 9 30 9 31 9 32 10 33 10 34 10 35 11 13 11 36 14 15 14 16 14 37 15 17 15 18 17 19 17 38 18 20 18 39 19 21 20 21 20 40 21 41 22 23 22 24 23 25 23 42 24 26 24 43 25 27 25 44 26 27 26 45 27 46 -0.025093796 -2050.708727037085 7.48575 -8.62384 -1.13809 35.52553 -34.11778 1.40775 -10.66929 9.42223 -1.24706 2.19822 5.58743