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:-1.2814,3.5107,-2.6472;-3.6568,5.0831,-2.1717;.443,.4117,-.6731;1.7025,2.11,.0534;1.3135,-3.8981,2.2215;.8994,-1.8282,-3.0623;-.8814,2.8922,1.6454;-.8069,3.6881,.3896;-.6776,2.1817,.3131;.2437,2.991,2.6448;-2.2305,2.671,2.2853;-1.999,4.3363,-.1999;.6159,1.6103,-.0895;-2.2767,4.3111,-1.4954;1.618,-.2781,-1.0863;2.205,-1.0953,.038;1.1975,-1.137,-2.1951;1.4542,-2.1267,.5917;3.4705,-.8008,.5232;1.9962,-2.8847,1.6185;3.9901,-1.5541,1.5672;3.2647,-2.6,2.1116;.4587,-4.6891,1.499;.7847,-5.1714,.2367;-.7352,-5.047,2.1082;-.1077,-6.0079,-.4179;-1.6116,-5.8958,1.4466;-1.3069,-6.3732,.1796;.1238,4.2285,.2331;-1.5431,1.6419,-.0533;.3945,2.0392,3.1576;-.008,3.7352,3.4027;1.19,3.2886,2.1997;-3.0313,2.5527,1.5545;-2.4892,3.5137,2.9298;-2.2166,1.7738,2.9062;-2.6725,4.8787,.4543;2.3663,.416,-1.4813;.4588,-2.3395,.218;4.0477,.0065,.0914;4.9757,-1.3316,1.9542;3.6752,-3.1964,2.9166;1.7212,-4.9047,-.2371;-.9719,-4.6686,3.0948;.1434,-6.3799,-1.403;-2.541,-6.1766,1.925;-1.9958,-7.0281,-.3375; 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 2751.6596363167 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 7.166e-06 Time for diagonalization 0.288 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.285 sec Total time needed 0.582 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:-1.2814,3.5107,-2.6472;-3.6568,5.0831,-2.1717;.443,.4117,-.6731;1.7025,2.11,.0534;1.3135,-3.8981,2.2215;.8994,-1.8282,-3.0623;-.8814,2.8922,1.6454;-.8069,3.6881,.3896;-.6776,2.1817,.3131;.2437,2.991,2.6448;-2.2305,2.671,2.2853;-1.999,4.3363,-.1999;.6159,1.6103,-.0895;-2.2767,4.3111,-1.4954;1.618,-.2781,-1.0863;2.205,-1.0953,.038;1.1975,-1.137,-2.1951;1.4542,-2.1267,.5917;3.4705,-.8008,.5232;1.9962,-2.8847,1.6185;3.9901,-1.5541,1.5672;3.2647,-2.6,2.1116;.4587,-4.6891,1.499;.7847,-5.1714,.2367;-.7352,-5.047,2.1082;-.1077,-6.0079,-.4179;-1.6116,-5.8958,1.4466;-1.3069,-6.3732,.1796;.1238,4.2285,.2331;-1.5431,1.6419,-.0533;.3945,2.0392,3.1576;-.008,3.7352,3.4027;1.19,3.2886,2.1997;-3.0313,2.5527,1.5545;-2.4892,3.5137,2.9298;-2.2166,1.7738,2.9062;-2.6725,4.8787,.4543;2.3663,.416,-1.4813;.4588,-2.3395,.218;4.0477,.0065,.0914;4.9757,-1.3316,1.9542;3.6752,-3.1964,2.9166;1.7212,-4.9047,-.2371;-.9719,-4.6686,3.0948;.1434,-6.3799,-1.403;-2.541,-6.1766,1.925;-1.9958,-7.0281,-.3375; 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:-1.2814,3.5107,-2.6472;-3.6568,5.0831,-2.1717;.443,.4117,-.6731;1.7025,2.11,.0534;1.3135,-3.8981,2.2215;.8994,-1.8282,-3.0623;-.8814,2.8922,1.6454;-.8069,3.6881,.3896;-.6776,2.1817,.3131;.2437,2.991,2.6448;-2.2305,2.671,2.2853;-1.999,4.3363,-.1999;.6159,1.6103,-.0895;-2.2767,4.3111,-1.4954;1.618,-.2781,-1.0863;2.205,-1.0953,.038;1.1975,-1.137,-2.1951;1.4542,-2.1267,.5917;3.4705,-.8008,.5232;1.9962,-2.8847,1.6185;3.9901,-1.5541,1.5672;3.2647,-2.6,2.1116;.4587,-4.6891,1.499;.7847,-5.1714,.2367;-.7352,-5.047,2.1082;-.1077,-6.0079,-.4179;-1.6116,-5.8958,1.4466;-1.3069,-6.3732,.1796;.1238,4.2285,.2331;-1.5431,1.6419,-.0533;.3945,2.0392,3.1576;-.008,3.7352,3.4027;1.19,3.2886,2.1997;-3.0313,2.5527,1.5545;-2.4892,3.5137,2.9298;-2.2166,1.7738,2.9062;-2.6725,4.8787,.4543;2.3663,.416,-1.4813;.4588,-2.3395,.218;4.0477,.0065,.0914;4.9757,-1.3316,1.9542;3.6752,-3.1964,2.9166;1.7212,-4.9047,-.2371;-.9719,-4.6686,3.0948;.1434,-6.3799,-1.403;-2.541,-6.1766,1.925;-1.9958,-7.0281,-.3375; 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 2764 GEPOL Volume 2954.8381 GEPOL Surface-area 1632.0253 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.4s -2050.68435370 2751.65963632 -4802.34399002 -8279.19646586 3476.85247584 -0.02922823 -4095.16269934 2044.47834564 2.00303550 107.999909733249 107.999909733249 215.999819466498 -151.863485144114 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 -2765.6954 -2765.6705 -525.2051 -524.6721 -523.3528 -392.9176 -283.6730 -282.8655 -282.8088 -281.7351 -281.5554 -281.2513 -280.5516 -280.5352 -280.3498 -280.3398 -280.2482 -280.0325 -279.9873 -279.9161 -279.9101 -279.8319 -279.8245 -279.7858 -279.7426 -279.6468 -279.3252 -279.2379 -260.9633 -260.9387 -199.8042 -199.7818 -199.5619 -199.5501 -199.5325 -199.5277 -34.1130 -33.0285 -31.5311 -28.5027 -28.4575 -27.6068 -27.2050 -26.6737 -26.0538 -25.4131 -24.1822 -24.0746 -23.7150 -23.6358 -23.1764 -22.9017 -21.9483 -21.2401 -20.6706 -20.0603 -19.6772 -19.2934 -19.0634 -18.4682 -18.0837 -17.8304 -17.5696 -17.1399 -16.8816 -16.3492 -16.2411 -16.1061 -16.0545 -15.8852 -15.7616 -15.5654 -15.0532 -14.8165 -14.7543 -14.6512 -14.3617 -14.2619 -14.0763 -13.9991 -13.8883 -13.7141 -13.6386 -13.3713 -13.2155 -13.0714 -12.9400 -12.9116 -12.8501 -12.7487 -12.4658 -12.3738 -12.2615 -12.1683 -12.0543 -11.9938 -11.7791 -11.7376 -11.4148 -11.2586 -10.8230 -10.6353 -10.3632 -9.7020 -9.4903 -9.4206 -9.2327 -8.5099 0.9091 1.3653 1.4139 1.6842 1.9985 2.1050 2.4762 2.5700 3.0380 3.1207 3.4162 3.7045 3.9458 4.0616 4.1918 4.2330 4.4429 4.5336 4.6265 4.6927 4.8633 4.9829 5.1178 5.2220 5.3136 5.4017 5.6414 5.6521 5.7380 5.9495 6.0663 6.0968 6.1481 6.3515 6.4215 6.5789 6.7428 6.8498 6.8800 7.0721 7.2992 7.3924 7.4860 7.5658 7.5942 7.7214 7.7919 7.8267 7.9068 8.0534 8.1604 8.1914 8.3023 8.4128 8.5124 8.5459 8.6448 8.6686 8.8367 8.9571 9.1624 9.2909 9.3382 9.4086 9.4230 9.5889 9.7366 9.8232 9.9056 9.9510 10.1472 10.1752 10.2239 10.3945 10.5761 10.5834 10.7745 10.8101 10.8976 11.0071 11.0601 11.1077 11.1604 11.3808 11.4262 11.5021 11.5689 11.6660 11.7372 11.8801 11.9726 12.0791 12.1784 12.2748 12.3798 12.4739 12.5322 12.6835 12.7749 12.8621 12.9065 12.9753 13.0490 13.1741 13.3584 13.3842 13.4908 13.5573 13.6281 13.7342 13.9162 13.9571 13.9735 14.0688 14.2415 14.2965 14.3688 14.4175 14.5064 14.5794 14.6465 14.7232 14.8035 14.9361 14.9709 15.0663 15.1956 15.2180 15.3102 15.3694 15.4476 15.5316 15.6434 15.7868 15.9546 15.9651 16.0048 16.1598 16.2529 16.3384 16.3943 16.4447 16.4989 16.6663 16.7277 16.8779 16.9731 17.1996 17.2638 17.4581 17.5036 17.6173 17.7526 17.8383 17.9692 18.0999 18.4105 18.5164 18.8546 19.1074 19.1376 19.3433 19.3924 19.6873 19.7975 19.8813 19.9921 20.1072 20.2587 20.3237 20.4340 20.4861 20.6195 20.6329 20.7725 20.8678 20.9336 21.2007 21.2599 21.3891 21.4276 21.6152 21.6383 21.7510 21.8748 22.1019 22.1486 22.2412 22.6364 22.7645 22.8520 23.1817 23.2353 23.3909 23.4244 23.4747 23.6579 23.8746 23.9693 24.0224 24.1990 24.2876 24.5233 24.7271 24.8177 24.9506 25.0709 25.3830 25.5356 25.7509 25.8623 26.1200 26.1386 26.4581 26.5702 26.6354 26.7509 27.0508 27.0868 27.1273 27.3719 27.4984 27.7005 27.7335 27.8018 28.0074 28.2075 28.3423 28.5057 28.6058 28.8487 28.9168 29.0991 29.2489 29.2728 29.3571 29.4463 29.5691 29.6895 29.7946 29.9150 30.0035 30.1348 30.2073 30.3917 30.4397 30.6344 30.9007 31.0087 31.1236 31.2983 31.5026 31.5748 31.6910 31.9754 32.2056 32.3366 32.6014 32.6453 32.7047 32.7482 32.8663 32.9388 32.9561 33.2764 33.4853 33.5638 33.6695 33.8790 34.0003 34.2013 34.2847 34.3672 34.5531 34.5921 34.7446 35.1258 35.2406 35.4093 35.4949 35.6479 35.7606 35.8032 35.9459 36.1212 36.2114 36.3133 36.6452 36.7487 36.9137 36.9865 37.1587 37.4001 37.4866 37.5311 37.6725 37.7994 37.8750 38.0574 38.1068 38.1912 38.3933 38.4863 38.5920 38.7732 38.8689 38.9684 39.0470 39.1164 39.2446 39.3594 39.4743 39.6291 39.7456 39.8670 40.2067 40.3228 40.4052 40.5347 40.7451 40.8500 40.9515 41.1721 41.3997 41.4917 41.6809 41.7678 41.9242 42.0667 42.2981 42.4865 42.5662 42.7086 42.8100 42.8487 42.9950 43.0609 43.1551 43.3406 43.5552 43.6454 43.7249 44.0396 44.2004 44.2571 44.3703 44.4145 44.4362 44.6290 44.6405 44.9582 45.2594 45.3574 45.5134 45.5514 45.7188 45.8324 45.8900 46.1300 46.1411 46.3014 46.4702 46.7056 46.7810 46.9954 47.0699 47.3825 47.4920 47.5814 47.6588 47.8583 48.0751 48.4274 48.6287 48.7236 48.7565 48.8815 49.3607 49.5326 49.6587 49.7108 50.0929 50.2205 50.3047 50.5316 50.6351 50.8323 50.8680 50.9382 51.2144 51.4784 51.5421 51.8410 51.9958 52.0399 52.1771 52.3371 52.4386 52.7475 52.8290 52.8859 53.0268 53.1102 53.2391 53.6556 53.8357 54.0577 54.1656 54.5442 54.7518 54.8213 55.1359 55.3236 55.3670 55.7111 55.9107 56.0991 56.2404 56.3615 56.6695 56.8897 56.9624 57.0209 57.2525 57.3715 57.4666 57.6529 57.9525 58.1671 58.4188 58.7080 58.7749 59.0958 59.1497 59.1617 59.2665 59.5473 59.7175 59.9510 60.1410 60.2694 60.4405 60.6551 60.7822 61.1198 61.5929 61.6969 61.7525 61.9144 62.2639 62.4830 62.8539 63.0385 63.1060 63.4786 63.5585 63.6155 63.7694 63.9253 64.1349 64.2844 64.3888 64.6169 64.8387 65.0156 65.1716 65.3204 65.4596 65.6367 65.7445 66.2763 66.4861 66.6270 66.6621 67.0822 67.2074 67.3606 67.4253 67.5264 67.7131 67.9029 68.1754 68.4390 68.5428 68.6410 68.8999 69.1147 69.2079 69.5350 69.7566 70.0570 70.5435 70.9032 71.3085 71.4285 71.8405 71.8826 72.2588 72.3936 72.6424 72.7598 73.0472 73.4372 73.6894 73.9245 74.1286 74.3311 74.4838 74.6183 74.7874 75.2120 75.3852 75.5674 75.6941 75.9863 76.1000 76.2078 76.3897 76.5893 76.8145 76.8845 76.9944 77.2702 77.4333 77.5883 77.6675 77.9335 78.0001 78.1661 78.4820 78.5864 78.6362 78.6889 78.9635 79.0274 79.2089 79.2748 79.3590 79.5015 79.6505 79.8434 79.8828 79.9298 80.2890 80.5484 80.6798 80.7361 81.1201 81.2176 81.3500 81.5089 81.6943 81.7605 81.8932 81.9317 82.0626 82.2436 82.4308 82.5514 82.6328 82.6936 82.7839 83.0111 83.0955 83.1591 83.3374 83.5601 83.7924 83.9352 84.1409 84.1934 84.2830 84.3777 84.5588 84.7197 84.8214 85.0616 85.1169 85.2233 85.3442 85.4625 85.5391 85.6451 85.7137 85.8724 86.1105 86.1366 86.2501 86.4293 86.5298 86.6151 86.6758 86.7488 87.0753 87.3093 87.3850 87.6031 87.6532 87.7579 88.0008 88.1116 88.3179 88.5329 88.5626 88.6232 88.8119 89.0126 89.0517 89.1674 89.2445 89.2873 89.3205 89.4343 89.5951 89.8041 89.8342 89.8909 90.0432 90.3205 90.3731 90.5597 90.7540 90.8257 91.0346 91.1059 91.3306 91.4317 91.6998 91.7698 91.8491 92.0669 92.1337 92.2755 92.4863 92.6155 92.7629 92.8460 93.0106 93.1178 93.2231 93.2698 93.4455 93.5565 93.5990 93.8326 93.8824 93.9515 94.1977 94.3455 94.4535 94.5569 94.7237 94.8299 94.8926 95.0196 95.2503 95.3315 95.5560 95.6113 95.8783 95.9361 96.0307 96.1940 96.3302 96.4307 96.6679 96.7637 96.8447 96.9354 97.0394 97.1970 97.2910 97.3918 97.6316 97.7507 97.9350 98.0224 98.1185 98.2711 98.4821 98.6277 98.7364 98.8185 99.0149 99.2246 99.3102 99.4637 99.5510 99.8172 99.9044 100.1620 100.3140 100.5426 100.6556 101.0200 101.2194 101.2621 101.6799 101.8292 102.1086 102.3021 102.3919 102.4777 102.7016 102.9196 103.2800 103.5656 103.5971 103.9268 104.3176 104.5178 104.6140 104.7395 104.7906 105.0092 105.1545 105.3273 105.4251 105.5014 105.6314 105.7132 105.7445 105.9158 106.0702 106.1224 106.2698 106.3782 106.5394 106.7616 106.9522 107.1165 107.2478 107.4338 107.6182 107.6388 108.0577 108.2437 108.3092 108.4300 108.5525 108.9382 109.1580 109.1784 109.2967 109.5404 109.7336 109.9865 110.0969 110.2883 110.4334 110.5124 110.6089 110.6944 110.9252 111.2472 111.3360 111.4946 111.5813 111.8569 112.0218 112.1724 112.4096 112.5835 112.7274 113.0210 113.1027 113.3871 113.4870 113.5504 113.7923 114.0812 114.2340 114.5398 114.5802 114.6863 114.9820 115.1448 115.1796 115.3560 115.4461 115.6772 115.9079 116.0811 116.1706 116.2830 116.3307 116.4784 116.6426 116.7726 116.8661 117.1532 117.2404 117.3325 117.4440 117.6138 117.7722 117.9334 118.0895 118.1918 118.3567 118.3859 118.5099 118.6175 119.0030 119.1361 119.2143 119.2630 119.6076 119.6671 119.9842 120.1849 120.2284 120.4046 120.5933 120.6539 120.8811 120.9993 121.2932 121.3762 121.6864 121.7873 122.0308 122.1859 122.6418 122.7437 122.8060 123.1173 123.4846 123.6967 123.9426 124.2268 124.4370 125.0917 125.2521 125.5110 125.6876 126.0422 126.2323 126.4715 126.4922 126.8696 127.3019 127.6148 127.7531 128.0322 128.1020 128.6175 128.8003 128.9259 129.1872 129.2850 129.5272 129.5703 129.7339 130.1608 130.2034 130.5553 130.6264 130.7457 130.8586 131.1957 131.5195 131.6129 131.6973 131.9338 132.0090 132.4338 132.4983 132.8353 132.9726 133.3195 133.3945 133.9132 134.1256 134.2343 134.3736 134.7219 135.2441 135.3778 135.4825 135.8305 136.0756 136.4414 136.8540 137.4500 137.6947 137.7188 138.0378 138.3743 138.4742 138.7156 138.8361 138.9694 139.5297 139.7729 140.0645 140.3636 140.6223 141.3011 141.4294 141.9847 142.3688 142.4890 142.7225 143.8304 143.8554 143.9731 144.1404 144.2755 144.3424 144.4511 144.6131 145.0053 145.2567 145.3443 145.3924 145.9235 146.1739 146.3075 146.7826 147.0004 147.3224 147.6851 147.7598 147.8703 148.0747 148.1337 148.4212 148.7182 148.9253 149.6446 149.7990 150.0214 150.2288 150.3095 150.7014 150.8746 151.4475 151.6022 152.0344 152.2607 152.5321 152.7300 153.2862 153.7786 153.9013 154.3163 155.0323 155.2618 155.6341 155.8777 156.1697 156.2256 156.8451 156.9684 157.1618 157.5446 157.7526 158.6478 158.9689 159.5138 159.5944 159.9401 160.1992 160.5716 160.6663 161.4255 161.9384 162.3415 162.5639 163.2231 164.1883 165.5648 167.0887 168.1989 169.3438 169.8090 171.7552 172.3647 172.5729 172.9994 174.3659 175.9894 177.6791 178.4423 178.9253 180.7082 182.1212 185.3299 186.1070 186.6279 187.4082 188.9883 189.5282 192.1047 192.5761 193.8219 195.3514 196.2106 198.8156 202.1818 204.8308 206.4684 206.7150 221.3510 222.1544 222.4340 223.0457 223.3651 223.8908 225.8216 226.1896 228.1361 229.5013 294.6188 294.9432 295.9146 298.2771 308.7419 313.3138 607.5123 618.1446 620.5235 625.6007 630.0683 630.8319 631.7156 632.3525 634.0885 634.3883 634.4316 635.1365 636.4932 636.7750 637.5221 640.0831 642.2256 643.3380 647.5457 650.5978 657.1537 657.9708 703.6268 708.8805 876.8093 1200.4813 1213.3037 1214.9613 -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 -0.049500 -0.054492 -0.283676 -0.447555 -0.327568 -0.088612 0.130343 -0.025463 -0.143883 -0.273349 -0.279856 -0.221715 0.402313 0.078782 0.426389 0.018778 -0.233211 -0.206272 -0.194035 0.247730 -0.115669 -0.231647 0.287353 -0.195929 -0.249427 -0.139696 -0.120296 -0.185801 0.113516 0.115606 0.102257 0.095657 0.095923 0.094107 0.102038 0.100201 0.139940 0.136766 0.147127 0.146016 0.159342 0.149241 0.155644 0.146591 0.159690 0.157872 0.158434 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 17.0495 17.0545 8.2837 8.4476 8.3276 7.0886 5.8697 6.0255 6.1439 6.2733 6.2799 6.2217 5.5977 5.9212 5.5736 5.9812 6.2332 6.2063 6.1940 5.7523 6.1157 6.2316 5.7126 6.1959 6.2494 6.1397 6.1203 6.1858 0.8865 0.8844 0.8977 0.9043 0.9041 0.9059 0.8980 0.8998 0.8601 0.8632 0.8529 0.8540 0.8407 0.8508 0.8444 0.8534 0.8403 0.8421 0.8416 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 -0.0495 -0.0545 -0.2837 -0.4476 -0.3276 -0.0886 0.1303 -0.0255 -0.1439 -0.2733 -0.2799 -0.2217 0.4023 0.0788 0.4264 0.0188 -0.2332 -0.2063 -0.1940 0.2477 -0.1157 -0.2316 0.2874 -0.1959 -0.2494 -0.1397 -0.1203 -0.1858 0.1135 0.1156 0.1023 0.0957 0.0959 0.0941 0.1020 0.1002 0.1399 0.1368 0.1471 0.1460 0.1593 0.1492 0.1556 0.1466 0.1597 0.1579 0.1584 1.2819 1.2517 2.1252 2.0633 2.0853 3.1096 3.7169 3.8692 3.8524 3.8919 3.9174 3.9096 4.1439 4.1830 3.7247 3.6055 4.0791 3.9640 3.9578 3.7716 3.9056 4.0111 3.6898 3.9107 4.0131 3.8901 3.8835 3.9087 1.0221 1.0229 0.9984 1.0016 1.0180 0.9991 0.9998 1.0026 1.0088 1.0191 1.0126 1.0078 0.9894 1.0048 0.9973 1.0078 0.9900 0.9891 0.9904 1.2819 1.2517 2.1252 2.0633 2.0853 3.1096 3.7169 3.8692 3.8524 3.8919 3.9174 3.9096 4.1439 4.1830 3.7247 3.6055 4.0791 3.9640 3.9578 3.7716 3.9056 4.0111 3.6898 3.9107 4.0131 3.8901 3.8835 3.9087 1.0221 1.0229 0.9984 1.0016 1.0180 0.9991 0.9998 1.0026 1.0088 1.0191 1.0126 1.0078 0.9894 1.0048 0.9973 1.0078 0.9900 0.9891 0.9904 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.1908 1.1486 1.1381 0.8376 1.8975 0.9723 0.9288 3.0546 0.9566 0.8485 0.9448 0.9319 0.9115 0.9850 0.9983 1.0110 1.0219 0.9932 0.9901 0.9859 0.9867 0.9959 0.9885 1.8703 0.9703 0.9022 0.9315 0.9803 1.3455 1.3605 1.4023 0.9540 1.4271 0.9814 1.3794 1.4444 0.9799 0.9805 1.3465 1.3886 1.4201 0.9715 1.4309 0.9826 1.4129 0.9758 1.4068 0.9780 0.9812 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 -0.024293821 -2050.708647523071 8.26225 -8.39585 -0.13360 -18.91652 19.50530 0.58878 28.53432 -26.47619 2.05813 2.14486 5.45179