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:2.2412,.1334,-.7175;4.3107,-.8316,1.044;-2.0773,-2.0885,-.273;-2.2274,-2.2833,1.9435;-.3937,2.6223,-1.0914;-4.1953,-1.3484,-2.6924;.2929,-3.9766,-.2274;.7929,-2.5758,-.0465;-.2951,-3.1253,.8767;-.4724,-4.3019,-1.4885;1.1356,-5.1391,.2447;2.1001,-2.2538,.5354;-1.6176,-2.4794,.9235;2.784,-1.1387,.3072;-3.2077,-1.2266,-.2771;-2.808,.1895,.0619;-3.748,-1.3056,-1.6356;-1.7602,.7813,-.634;-3.4556,.8779,1.0758;-1.3757,2.0744,-.3215;-3.0637,2.1764,1.374;-2.0297,2.784,.681;.6029,3.3839,-.5488;1.1054,3.1787,.7306;1.1536,4.3522,-1.3782;2.1607,3.9635,1.1748;2.2155,5.1194,-.9239;2.7207,4.9345,.3561;.4363,-1.8752,-.7922;.0382,-3.3933,1.8729;.2144,-4.7321,-2.2203;-.9377,-3.438,-1.9558;-1.2488,-5.044,-1.2926;1.6087,-4.9667,1.2109;1.9213,-5.3601,-.48;.5164,-6.0321,.3449;2.5454,-2.9664,1.2193;-3.9864,-1.5807,.4058;-1.2459,.253,-1.4286;-4.2617,.4101,1.6263;-3.5708,2.7246,2.1568;-1.7435,3.801,.9174;.695,2.4136,1.377;.7571,4.4948,-2.3758;2.5516,3.8036,2.1714;2.6448,5.8689,-1.5764;3.5463,5.5373,.7105; 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 2893.2810444081 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 6.574e-06 Time for diagonalization 0.790 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.594 sec Total time needed 1.398 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:2.2412,.1334,-.7175;4.3107,-.8316,1.044;-2.0773,-2.0885,-.273;-2.2274,-2.2833,1.9435;-.3937,2.6223,-1.0914;-4.1953,-1.3484,-2.6924;.2929,-3.9766,-.2274;.7929,-2.5758,-.0465;-.2951,-3.1253,.8767;-.4724,-4.3019,-1.4885;1.1356,-5.1391,.2447;2.1001,-2.2538,.5354;-1.6176,-2.4794,.9235;2.784,-1.1387,.3072;-3.2077,-1.2266,-.2771;-2.808,.1895,.0619;-3.748,-1.3056,-1.6356;-1.7602,.7813,-.634;-3.4556,.8779,1.0758;-1.3757,2.0744,-.3215;-3.0637,2.1764,1.374;-2.0297,2.784,.681;.6029,3.3839,-.5488;1.1054,3.1787,.7306;1.1536,4.3522,-1.3782;2.1607,3.9635,1.1748;2.2155,5.1194,-.9239;2.7207,4.9345,.3561;.4363,-1.8752,-.7922;.0382,-3.3933,1.8729;.2144,-4.7321,-2.2203;-.9377,-3.438,-1.9558;-1.2488,-5.044,-1.2926;1.6087,-4.9667,1.2109;1.9213,-5.3601,-.48;.5164,-6.0321,.3449;2.5454,-2.9664,1.2193;-3.9864,-1.5807,.4058;-1.2459,.253,-1.4286;-4.2617,.4101,1.6263;-3.5708,2.7246,2.1568;-1.7435,3.801,.9174;.695,2.4136,1.377;.7571,4.4948,-2.3758;2.5516,3.8036,2.1714;2.6448,5.8689,-1.5764;3.5463,5.5373,.7105; 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:2.2412,.1334,-.7175;4.3107,-.8316,1.044;-2.0773,-2.0885,-.273;-2.2274,-2.2833,1.9435;-.3937,2.6223,-1.0914;-4.1953,-1.3484,-2.6924;.2929,-3.9766,-.2274;.7929,-2.5758,-.0465;-.2951,-3.1253,.8767;-.4724,-4.3019,-1.4885;1.1356,-5.1391,.2447;2.1001,-2.2538,.5354;-1.6176,-2.4794,.9235;2.784,-1.1387,.3072;-3.2077,-1.2266,-.2771;-2.808,.1895,.0619;-3.748,-1.3056,-1.6356;-1.7602,.7813,-.634;-3.4556,.8779,1.0758;-1.3757,2.0744,-.3215;-3.0637,2.1764,1.374;-2.0297,2.784,.681;.6029,3.3839,-.5488;1.1054,3.1787,.7306;1.1536,4.3522,-1.3782;2.1607,3.9635,1.1748;2.2155,5.1194,-.9239;2.7207,4.9345,.3561;.4363,-1.8752,-.7922;.0382,-3.3933,1.8729;.2144,-4.7321,-2.2203;-.9377,-3.438,-1.9558;-1.2488,-5.044,-1.2926;1.6087,-4.9667,1.2109;1.9213,-5.3601,-.48;.5164,-6.0321,.3449;2.5454,-2.9664,1.2193;-3.9864,-1.5807,.4058;-1.2459,.253,-1.4286;-4.2617,.4101,1.6263;-3.5708,2.7246,2.1568;-1.7435,3.801,.9174;.695,2.4136,1.377;.7571,4.4948,-2.3758;2.5516,3.8036,2.1714;2.6448,5.8689,-1.5764;3.5463,5.5373,.7105; 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 2757 GEPOL Volume 2954.1769 GEPOL Surface-area 1600.5892 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 1.0s -2050.68273569 2893.28104441 -4943.96378010 -8562.06695679 3618.10317669 -0.03197239 -4095.15374809 2044.47101240 2.00303830 107.999867722475 107.999867722475 215.999735444951 -151.865062568987 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 -2765.6565 -2765.6233 -525.2046 -524.6786 -523.3645 -392.9361 -283.7263 -282.8615 -282.8066 -281.7242 -281.5730 -281.2713 -280.6403 -280.5420 -280.4406 -280.3903 -280.3667 -280.0113 -280.0036 -279.9715 -279.9447 -279.8148 -279.8035 -279.7568 -279.7064 -279.6101 -279.3431 -279.2762 -260.9238 -260.8908 -199.7650 -199.7342 -199.5196 -199.5128 -199.4842 -199.4803 -34.1866 -33.0441 -31.5495 -28.4809 -28.4254 -27.6807 -27.2167 -26.6484 -26.0023 -25.3769 -24.2885 -24.1234 -23.6922 -23.5822 -23.1152 -22.9774 -21.9623 -21.2056 -20.6377 -20.2367 -19.6920 -19.2750 -19.0189 -18.7706 -18.1904 -18.0905 -17.5739 -16.9341 -16.5910 -16.5248 -16.3296 -16.1569 -15.9949 -15.8883 -15.7616 -15.4446 -15.0054 -14.8012 -14.6328 -14.5676 -14.4362 -14.2911 -14.1711 -14.0100 -13.8976 -13.7973 -13.5855 -13.3411 -13.2502 -13.0643 -12.9752 -12.9465 -12.8232 -12.6877 -12.4609 -12.3627 -12.3328 -12.0604 -12.0414 -11.8049 -11.7787 -11.7341 -11.5444 -11.4029 -11.1951 -10.9869 -10.2458 -9.6880 -9.4853 -9.4326 -8.8740 -8.4650 0.9060 1.2148 1.4087 1.6776 2.0328 2.3517 2.4374 2.5418 2.9772 3.2089 3.2628 3.6874 3.8338 3.9611 4.1165 4.1830 4.5380 4.5883 4.7363 4.7984 4.8161 5.0571 5.1468 5.2973 5.3489 5.4576 5.6409 5.6941 5.9342 5.9624 6.0753 6.1449 6.2081 6.2868 6.5487 6.6300 6.6544 6.8223 6.9839 7.1411 7.2121 7.3741 7.5032 7.5709 7.6357 7.8030 7.8569 7.9040 7.9921 8.0527 8.2029 8.2078 8.3219 8.3462 8.3737 8.5339 8.6320 8.7956 8.8319 8.9698 9.2354 9.2942 9.3118 9.4375 9.5274 9.7018 9.7822 9.8481 9.9771 10.0995 10.1280 10.3036 10.3491 10.5286 10.6393 10.6874 10.8297 10.9349 10.9639 11.1533 11.2194 11.2662 11.4396 11.5273 11.5880 11.6160 11.7385 11.8905 11.9319 11.9615 12.0086 12.2475 12.2951 12.4230 12.4870 12.6021 12.6838 12.8172 12.8671 12.9913 13.0709 13.1190 13.2143 13.2423 13.2822 13.4384 13.6486 13.6534 13.8072 13.9060 13.9794 14.0041 14.1169 14.1825 14.2990 14.3511 14.4676 14.5569 14.6750 14.6852 14.7616 14.8919 15.0142 15.1271 15.2211 15.3093 15.3919 15.5189 15.6124 15.6697 15.7311 15.8903 15.9146 16.0100 16.0423 16.0996 16.2290 16.3672 16.4452 16.5056 16.5962 16.8691 16.8893 17.0174 17.0509 17.1222 17.3037 17.5099 17.5686 17.6459 17.7561 17.8911 18.1625 18.2878 18.4936 18.5851 18.8761 18.8848 19.0242 19.1605 19.2338 19.4425 19.6300 19.7304 19.7775 20.0040 20.0180 20.2092 20.2820 20.3612 20.4095 20.6942 20.7788 20.8023 21.0122 21.0856 21.2147 21.4037 21.4399 21.5256 21.6631 21.8053 21.9264 21.9570 22.1070 22.3378 22.3869 22.5662 22.6821 22.8919 23.0329 23.1598 23.2327 23.4269 23.5903 23.7041 23.7319 24.0329 24.0984 24.2550 24.3825 24.4500 24.5810 24.7340 24.9847 25.0917 25.1542 25.3392 25.4451 25.6030 25.6341 25.8331 25.9295 26.3859 26.5336 26.7351 26.7653 26.9274 27.0064 27.1836 27.2254 27.5514 27.6556 27.7921 28.0524 28.1349 28.3534 28.4346 28.5786 28.7420 28.8354 28.8763 29.0513 29.1049 29.3238 29.4790 29.5787 29.7142 29.7657 29.9794 30.0270 30.2159 30.3888 30.6733 30.8322 30.9705 31.0977 31.1662 31.3674 31.5077 31.8256 31.8411 31.9695 32.1217 32.1662 32.2603 32.5228 32.6717 32.7833 32.8845 33.0037 33.0647 33.2085 33.2660 33.3876 33.6309 33.7152 33.7682 33.8603 34.0649 34.4099 34.4706 34.4955 34.6141 34.7600 35.0155 35.1007 35.3900 35.4386 35.5198 35.6431 35.8075 35.9388 36.0790 36.2168 36.3427 36.5306 36.6939 36.7862 36.9294 37.1567 37.1865 37.2885 37.5909 37.6235 37.7132 37.8435 37.9592 37.9897 38.0806 38.3400 38.4562 38.5690 38.5918 38.6892 38.9188 39.0487 39.1313 39.1942 39.3204 39.6032 39.7359 39.8380 39.9649 40.0457 40.3561 40.4450 40.6249 40.7524 40.9347 40.9783 41.0879 41.3767 41.5446 41.7365 41.8923 42.0159 42.2350 42.3492 42.4431 42.5149 42.7692 42.8321 43.0449 43.1599 43.1989 43.2965 43.3585 43.4800 43.6460 43.7445 43.8043 43.9519 44.2222 44.3052 44.4684 44.5076 44.7331 44.9345 45.0622 45.0851 45.2634 45.4985 45.6692 45.7682 45.8299 45.9242 46.0732 46.3018 46.4409 46.5423 46.6282 46.9256 47.0827 47.1406 47.3914 47.4648 47.7573 47.8087 48.0983 48.2727 48.4920 48.6133 48.7074 48.8675 48.9279 49.2166 49.2617 49.5968 49.6691 49.8769 49.9363 50.2787 50.3847 50.4943 50.7083 51.0694 51.2272 51.3708 51.4434 51.7584 51.8120 52.0336 52.1068 52.1544 52.5402 52.6077 52.6630 52.7985 52.9755 53.2383 53.5128 53.5767 53.6770 53.9285 54.1535 54.4729 54.7299 55.0243 55.1671 55.2389 55.4534 55.5229 55.9481 55.9850 56.2426 56.3489 56.5276 56.6786 56.9916 57.2529 57.4100 57.5332 57.5775 57.8634 57.9477 58.1055 58.3355 58.3869 58.6618 58.7268 58.9467 58.9963 59.0947 59.3279 59.4040 59.6476 59.8385 59.8694 60.0113 60.2622 60.7961 60.8555 60.9709 61.3447 61.4716 61.5930 61.9435 62.2184 62.4572 62.6533 63.1680 63.2081 63.3721 63.5983 63.6808 63.7732 64.1432 64.2327 64.4072 64.4616 64.6958 64.9557 65.0222 65.3434 65.4023 65.7285 66.1966 66.2592 66.4844 66.5800 66.7606 66.8210 66.9168 67.0242 67.2873 67.3566 67.5391 67.6309 67.8214 67.9843 68.3309 68.6574 68.7160 69.0081 69.2036 69.4657 69.5396 69.9021 70.2462 70.3375 70.8616 71.0958 71.2315 71.7505 71.9352 72.2863 72.5031 72.5867 72.7995 73.1379 73.3392 73.6098 73.9026 73.9988 74.1827 74.2697 74.4594 74.7720 75.0261 75.1403 75.2625 75.6939 75.8140 76.0143 76.1676 76.3258 76.3932 76.8108 76.9031 77.0293 77.0729 77.1752 77.4775 77.6634 77.8647 78.0384 78.0729 78.1967 78.2178 78.3335 78.4616 78.7988 78.9831 79.0520 79.2267 79.2323 79.5313 79.5611 79.6914 79.7741 79.9200 80.0532 80.2358 80.4915 80.6020 80.7687 80.9197 80.9923 81.3359 81.5430 81.5907 81.8270 81.8797 81.9332 82.0538 82.2698 82.4754 82.6363 82.6664 82.7138 82.9374 82.9647 83.1853 83.2663 83.3464 83.5531 83.6311 83.9503 84.1118 84.3041 84.4046 84.4851 84.7148 84.8989 84.9359 85.1519 85.2237 85.3318 85.5319 85.6471 85.6877 85.7228 85.8248 85.8512 86.0819 86.1810 86.2460 86.3331 86.4562 86.5995 86.7549 86.8396 87.1757 87.3017 87.3646 87.5189 87.6018 87.8369 87.9875 88.1564 88.3633 88.5666 88.6093 88.7015 88.8223 88.9262 88.9624 89.1021 89.1917 89.2523 89.5524 89.6981 89.7859 89.8516 89.9884 90.1025 90.2400 90.4251 90.4947 90.6785 90.7699 90.8136 90.9429 91.0603 91.3698 91.5233 91.6792 91.8011 92.0243 92.1387 92.2125 92.4234 92.4456 92.7312 92.7795 92.8760 93.0390 93.1594 93.2537 93.2844 93.3637 93.4819 93.6787 93.7583 93.8899 93.9132 94.0725 94.1522 94.3221 94.4990 94.5443 94.6505 94.8398 94.9477 95.1556 95.3418 95.4129 95.5269 95.6626 95.8479 95.9197 96.1058 96.3792 96.5948 96.7034 96.8476 96.8680 97.1493 97.2946 97.4457 97.5469 97.5747 97.8530 97.9368 98.0157 98.3512 98.5736 98.6259 98.7314 98.8207 98.9333 99.0815 99.1540 99.2998 99.5709 99.6454 99.7362 100.0018 100.1192 100.1594 100.5674 100.6295 100.8015 100.9130 101.2410 101.4687 101.7766 101.8171 101.9368 102.1503 102.3113 102.7795 102.8807 103.0161 103.4356 103.4901 103.5263 103.7624 103.9185 104.0309 104.4671 104.9073 104.9717 105.0876 105.2064 105.3432 105.5045 105.5785 105.6660 105.7221 105.8547 105.9978 106.1348 106.3913 106.4305 106.6542 106.7948 107.0050 107.0715 107.2796 107.4812 107.5778 107.6890 107.8707 107.9322 108.3434 108.3598 108.8331 109.0985 109.1600 109.3698 109.4954 109.6694 109.7204 109.8155 109.9235 109.9697 110.2900 110.3584 110.5066 110.5493 110.9304 110.9525 111.2014 111.2640 111.4502 111.5912 111.7345 111.9411 112.2415 112.2862 112.4345 112.6349 112.9828 113.1751 113.3389 113.3874 113.6702 113.8146 114.0716 114.3755 114.5009 114.7186 114.7605 115.0317 115.0740 115.3385 115.4529 115.4833 115.7120 115.9631 116.0836 116.1925 116.3894 116.5336 116.7600 116.9044 117.0151 117.2173 117.2810 117.4604 117.5718 117.6150 117.8678 118.0118 118.1422 118.2977 118.3196 118.5136 118.5723 118.6342 118.7239 118.8380 119.1009 119.1698 119.4180 119.6620 119.7965 120.0532 120.2674 120.4953 120.6062 120.6887 120.8468 121.1469 121.3108 121.6860 121.8111 121.8761 121.9934 122.1862 122.4812 122.5244 123.0793 123.0958 123.2394 123.4756 123.9057 124.0542 124.2896 124.4800 124.9413 125.2812 125.7768 125.7895 126.0498 126.3547 126.5031 126.6505 126.8022 127.1276 127.3732 127.6924 127.8756 128.1409 128.7147 128.9979 129.0603 129.1760 129.3081 129.5246 129.7065 129.9135 130.0617 130.1199 130.3306 130.8324 130.9629 131.0552 131.2349 131.3761 131.5292 131.7719 131.9077 131.9949 132.3846 132.5905 132.8868 133.0773 133.3467 133.4135 133.7266 133.9762 134.4465 134.7344 134.9206 135.1369 135.4218 135.5571 136.0190 136.3237 136.4373 136.9846 137.1202 137.8270 138.0895 138.3062 138.5300 138.6098 138.6895 138.8282 139.3247 139.5157 140.0531 140.3794 140.4890 141.0874 141.2971 141.4806 141.9939 142.0363 142.2815 142.9234 143.2006 143.4281 143.9566 144.1184 144.3540 144.4737 144.7529 144.9022 145.0769 145.1514 145.5369 145.7440 145.8690 146.1263 146.4806 146.5537 146.7555 147.4397 147.6103 147.9130 148.0264 148.1664 148.2705 148.5217 148.9744 149.4441 149.6792 149.8597 150.1084 150.2026 150.4019 151.1031 151.4659 151.4949 151.8035 152.3653 152.7189 152.8663 153.1462 153.4213 154.3569 154.5899 154.6828 155.1378 155.8135 156.2427 156.4384 156.4907 157.0527 157.2787 157.5464 157.9489 158.0130 158.5033 159.1587 159.3159 159.6664 159.8447 160.0779 160.6074 161.1347 161.6756 161.8458 162.3911 162.7486 163.9574 164.3374 164.6189 166.1875 166.9088 168.3493 169.5456 170.4508 171.5721 172.0053 172.5965 172.8219 174.4371 175.8296 177.2674 178.2780 178.7969 181.0552 181.6836 185.0879 187.0362 187.4892 187.7656 188.0456 189.5980 192.2396 193.3035 193.7342 195.4277 196.1279 198.9814 202.4051 205.8479 207.0179 207.2212 221.3500 222.2804 222.6249 223.1091 223.5426 224.9025 225.8878 226.3137 228.1393 229.6348 294.6155 296.0629 297.6061 298.3276 308.8630 313.8369 609.6914 618.6056 621.0061 625.5488 629.5952 631.2979 631.4967 632.2034 633.8871 634.5010 635.2609 635.9671 636.7133 637.0039 637.4839 640.6481 642.4373 643.5725 647.0612 650.3809 657.3651 658.1106 703.2400 710.1920 877.2600 1198.6778 1212.5996 1215.8122 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 -0.057699 -0.060562 -0.277210 -0.434879 -0.320168 -0.084979 0.101365 0.016271 -0.060798 -0.257880 -0.283042 -0.203742 0.377597 0.058894 0.389473 0.019488 -0.233593 -0.234400 -0.186905 0.247819 -0.121289 -0.187662 0.321806 -0.229724 -0.264748 -0.138995 -0.118559 -0.189400 0.086753 0.095743 0.095227 0.091427 0.101272 0.093439 0.103707 0.099953 0.127970 0.139650 0.141697 0.146781 0.160438 0.157936 0.152005 0.145514 0.158891 0.157387 0.157730 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 17.0577 17.0606 8.2772 8.4349 8.3202 7.0850 5.8986 5.9837 6.0608 6.2579 6.2830 6.2037 5.6224 5.9411 5.6105 5.9805 6.2336 6.2344 6.1869 5.7522 6.1213 6.1877 5.6782 6.2297 6.2647 6.1390 6.1186 6.1894 0.9132 0.9043 0.9048 0.9086 0.8987 0.9066 0.8963 0.9000 0.8720 0.8604 0.8583 0.8532 0.8396 0.8421 0.8480 0.8545 0.8411 0.8426 0.8423 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 -0.0577 -0.0606 -0.2772 -0.4349 -0.3202 -0.0850 0.1014 0.0163 -0.0608 -0.2579 -0.2830 -0.2037 0.3776 0.0589 0.3895 0.0195 -0.2336 -0.2344 -0.1869 0.2478 -0.1213 -0.1877 0.3218 -0.2297 -0.2647 -0.1390 -0.1186 -0.1894 0.0868 0.0957 0.0952 0.0914 0.1013 0.0934 0.1037 0.1000 0.1280 0.1396 0.1417 0.1468 0.1604 0.1579 0.1520 0.1455 0.1589 0.1574 0.1577 1.2753 1.2449 2.1215 2.0761 2.0616 3.1072 3.7453 3.8726 3.8201 3.9001 3.9222 3.9127 4.2162 4.1973 3.7677 3.6334 4.0701 4.0350 3.9750 3.7920 3.8914 3.9363 3.5860 3.8850 4.0198 3.9005 3.8874 3.9117 1.0259 1.0281 1.0002 1.0125 1.0010 1.0054 0.9994 1.0005 1.0214 1.0163 1.0248 1.0032 0.9901 0.9948 1.0045 1.0092 0.9897 0.9892 0.9903 1.2753 1.2449 2.1215 2.0761 2.0616 3.1072 3.7453 3.8726 3.8201 3.9001 3.9222 3.9127 4.2162 4.1973 3.7677 3.6334 4.0701 4.0350 3.9750 3.7920 3.8914 3.9363 3.5860 3.8850 4.0198 3.9005 3.8874 3.9117 1.0259 1.0281 1.0002 1.0125 1.0010 1.0054 0.9994 1.0005 1.0214 1.0163 1.0248 1.0032 0.9901 0.9948 1.0045 1.0092 0.9897 0.9892 0.9903 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 1.1704 1.1554 1.1390 0.8800 1.9203 0.9550 0.9327 3.0505 0.9196 0.9054 0.9349 0.9434 0.8488 1.0426 0.9978 1.0428 1.0020 0.9886 0.9894 0.9939 0.9885 0.9959 0.9871 1.8575 0.9471 0.8975 0.9383 0.9833 1.3677 1.3652 1.4368 0.9606 1.4296 0.9849 1.3624 1.4223 0.9760 0.9692 1.3066 1.3754 1.4139 0.9887 1.4443 0.9849 1.4220 0.9766 1.3999 0.9797 0.9822 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 -0.027117917 -2050.709853605437 -9.07527 9.89210 0.81683 -8.32800 7.84065 -0.48734 1.49945 -0.17926 1.32020 1.62716 4.13590