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 47 48 Cl O 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 H H H H H H H H H H H H H H H H H H H H H H 1 2 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 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 365.68199999999973 AuxInfo=1/0/N:27,26,19,20,17,23,24,22,7,8,9,10,16,13,15,14,25,12,21,18,11,1,6,3,5,4,2/E:(3,4)(6,7)(9,10)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1/rA:49nClOO1OONCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s2s7;s2s8;s3s6;;s11s12;s12;s12;s14;s14;s4s16;s15;s15;s5s18;s17s21;s19;s20;s1s23s24;s4;s5;s7;s7;s8;s8;s9;s9;s10;s10;s13;s16;s17;s19;s20;s22;s23;s24;s26;s26;s26;s27;s27;s27;/rC:-6.7632,.4582,.0546;3.7537,-1.4834,1.9824;1.2133,-2.8152,-1.9381;3.1658,1.7299,-1.6544;2.9267,3.3564,.3245;1.7629,-2.4346,.2188;1.4457,-2.1112,1.5998;3.1609,-2.786,.0245;2.4098,-1.0719,2.1382;4.0489,-1.7107,.6198;.9056,-2.4187,-.8113;-.8982,-.7079,-.3448;-.4956,-1.9627,-.5927;.0535,.4109,-.1861;-2.3416,-.41,-.218;1.1317,.5573,-1.0675;-.0755,1.3045,.8661;2.0827,1.5403,-.871;-3.2133,-1.3158,.3867;-2.8685,.7801,-.7199;1.9542,2.4303,.2141;.8688,2.3069,1.0661;-4.5712,-1.0579,.4721;-4.2247,1.0516,-.6451;-5.0671,.1259,-.0497;3.3696,.8351,-2.7326;2.8514,4.2771,1.3973;1.5226,-3.0245,2.1982;.4254,-1.7488,1.6901;3.3792,-2.8877,-1.0353;3.3636,-3.7504,.5005;2.2451,-.1103,1.637;2.2296,-.9315,3.2046;5.0914,-2.0242,.5564;3.9373,-.7822,.0429;-1.2352,-2.7343,-.7799;1.206,-.0984,-1.924;-.9015,1.2193,1.5602;-2.8304,-2.2322,.8165;-2.2186,1.5052,-1.1922;.7455,2.9792,1.9041;-5.2294,-1.7703,.9504;-4.6157,1.9745,-1.0508;2.5699,.9019,-3.4746;3.4524,-.2016,-2.3938;4.3062,1.1265,-3.202;1.9475,4.8888,1.3469;3.7186,4.9266,1.306;2.8883,3.7751,2.3672; 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 1567 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 204 Dim 1156 ENuc 2668.4956665694 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 4.849e-06 Time for diagonalization 0.469 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.245 sec Total time needed 0.720 sec 17 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 365.68199999999973 AuxInfo=1/0/N:27,26,19,20,17,23,24,22,7,8,9,10,16,13,15,14,25,12,21,18,11,1,6,3,5,4,2/E:(3,4)(6,7)(9,10)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1/rA:49nClOO1OONCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s2s7;s2s8;s3s6;;s11s12;s12;s12;s14;s14;s4s16;s15;s15;s5s18;s17s21;s19;s20;s1s23s24;s4;s5;s7;s7;s8;s8;s9;s9;s10;s10;s13;s16;s17;s19;s20;s22;s23;s24;s26;s26;s26;s27;s27;s27;/rC:-6.7632,.4582,.0546;3.7537,-1.4834,1.9824;1.2133,-2.8152,-1.9381;3.1658,1.7299,-1.6544;2.9267,3.3564,.3245;1.7629,-2.4346,.2188;1.4457,-2.1112,1.5998;3.1609,-2.786,.0245;2.4098,-1.0719,2.1382;4.0489,-1.7107,.6198;.9056,-2.4187,-.8113;-.8982,-.7079,-.3448;-.4956,-1.9627,-.5927;.0535,.4109,-.1861;-2.3416,-.41,-.218;1.1317,.5573,-1.0675;-.0755,1.3045,.8661;2.0827,1.5403,-.871;-3.2133,-1.3158,.3867;-2.8685,.7801,-.7199;1.9542,2.4303,.2141;.8688,2.3069,1.0661;-4.5712,-1.0579,.4721;-4.2247,1.0516,-.6451;-5.0671,.1259,-.0497;3.3696,.8351,-2.7326;2.8514,4.2771,1.3973;1.5226,-3.0245,2.1982;.4254,-1.7488,1.6901;3.3792,-2.8877,-1.0353;3.3636,-3.7504,.5005;2.2451,-.1103,1.637;2.2296,-.9315,3.2046;5.0914,-2.0242,.5564;3.9373,-.7822,.0429;-1.2352,-2.7343,-.7799;1.206,-.0984,-1.924;-.9015,1.2193,1.5602;-2.8304,-2.2322,.8165;-2.2186,1.5052,-1.1922;.7455,2.9792,1.9041;-5.2294,-1.7703,.9504;-4.6157,1.9745,-1.0508;2.5699,.9019,-3.4746;3.4524,-.2016,-2.3938;4.3062,1.1265,-3.202;1.9475,4.8888,1.3469;3.7186,4.9266,1.306;2.8883,3.7751,2.3672; 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 "WATER" 365.68199999999973 AuxInfo=1/0/N:27,26,19,20,17,23,24,22,7,8,9,10,16,13,15,14,25,12,21,18,11,1,6,3,5,4,2/E:(3,4)(6,7)(9,10)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1/rA:49nClOO1OONCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s2s7;s2s8;s3s6;;s11s12;s12;s12;s14;s14;s4s16;s15;s15;s5s18;s17s21;s19;s20;s1s23s24;s4;s5;s7;s7;s8;s8;s9;s9;s10;s10;s13;s16;s17;s19;s20;s22;s23;s24;s26;s26;s26;s27;s27;s27;/rC:-6.7632,.4582,.0546;3.7537,-1.4834,1.9824;1.2133,-2.8152,-1.9381;3.1658,1.7299,-1.6544;2.9267,3.3564,.3245;1.7629,-2.4346,.2188;1.4457,-2.1112,1.5998;3.1609,-2.786,.0245;2.4098,-1.0719,2.1382;4.0489,-1.7107,.6198;.9056,-2.4187,-.8113;-.8982,-.7079,-.3448;-.4956,-1.9627,-.5927;.0535,.4109,-.1861;-2.3416,-.41,-.218;1.1317,.5573,-1.0675;-.0755,1.3045,.8661;2.0827,1.5403,-.871;-3.2133,-1.3158,.3867;-2.8685,.7801,-.7199;1.9542,2.4303,.2141;.8688,2.3069,1.0661;-4.5712,-1.0579,.4721;-4.2247,1.0516,-.6451;-5.0671,.1259,-.0497;3.3696,.8351,-2.7326;2.8514,4.2771,1.3973;1.5226,-3.0245,2.1982;.4254,-1.7488,1.6901;3.3792,-2.8877,-1.0353;3.3636,-3.7504,.5005;2.2451,-.1103,1.637;2.2296,-.9315,3.2046;5.0914,-2.0242,.5564;3.9373,-.7822,.0429;-1.2352,-2.7343,-.7799;1.206,-.0984,-1.924;-.9015,1.2193,1.5602;-2.8304,-2.2322,.8165;-2.2186,1.5052,-1.1922;.7455,2.9792,1.9041;-5.2294,-1.7703,.9504;-4.6157,1.9745,-1.0508;2.5699,.9019,-3.4746;3.4524,-.2016,-2.3938;4.3062,1.1265,-3.202;1.9475,4.8888,1.3469;3.7186,4.9266,1.306;2.8883,3.7751,2.3672; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2817 GEPOL Volume 2630.0903 GEPOL Surface-area 1452.4577 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1629.42828065 2668.49566657 -4297.92394722 -7533.64773634 3235.72378912 -0.04685856 -3253.12648643 1623.69820577 2.00352903 102.000127594775 102.000127594775 204.000255189550 -133.901000750173 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.2960 -524.3500 -524.3336 -523.6232 -522.5424 -393.4738 -282.6948 -281.5120 -281.4563 -281.4216 -280.7845 -280.7495 -280.7387 -280.7374 -280.4545 -280.4470 -280.3709 -280.2406 -280.0186 -280.0178 -280.0103 -279.9681 -279.9663 -279.8732 -279.7410 -279.7190 -279.6863 -260.5698 -199.4013 -199.1717 -199.1629 -32.7914 -32.1757 -31.8814 -31.5925 -28.8948 -27.7418 -26.9857 -26.3113 -25.2829 -24.3999 -24.0222 -23.8487 -23.6057 -23.3705 -22.6465 -22.2162 -22.0287 -21.1190 -20.4121 -19.9823 -19.5438 -19.4018 -19.3113 -18.4931 -17.8897 -17.6749 -17.1017 -16.8425 -16.5983 -16.1854 -16.0396 -15.9439 -15.8499 -15.8198 -15.5840 -15.3942 -15.3199 -15.2665 -15.0509 -14.8389 -14.7665 -14.5375 -14.4839 -14.4006 -13.9135 -13.8665 -13.7583 -13.4663 -13.3180 -13.2405 -12.9121 -12.7154 -12.5557 -12.4031 -12.2652 -12.1404 -12.1073 -11.7365 -11.6791 -11.5629 -11.5094 -11.2926 -11.2126 -10.6207 -10.2997 -9.8850 -9.6453 -9.2123 -8.9625 -8.7022 -7.8850 0.5181 1.3246 1.5905 1.9750 2.6237 3.0812 3.3449 3.4559 3.5820 3.7632 4.0100 4.2204 4.4485 4.5217 4.6070 4.7110 4.7927 4.9021 4.9823 5.2620 5.2977 5.3662 5.4037 5.5510 5.6679 5.7211 5.8657 5.9946 6.0608 6.1340 6.1895 6.2694 6.3083 6.3969 6.7020 6.7505 6.8908 6.9372 7.2970 7.3656 7.5764 7.6408 7.8640 7.8974 7.9829 8.0089 8.1344 8.2226 8.3386 8.4519 8.4930 8.6395 8.7476 8.8123 8.9191 9.0924 9.1983 9.2265 9.3277 9.5977 9.7554 9.7726 9.8963 10.1393 10.1789 10.3524 10.4787 10.4998 10.5612 10.5897 10.7033 10.7531 10.8649 11.1016 11.1378 11.3061 11.4074 11.4570 11.5603 11.7345 11.7797 11.8514 11.8974 11.9848 12.0603 12.1244 12.2140 12.3970 12.5011 12.5598 12.5942 12.7516 12.8134 12.9029 13.0080 13.1245 13.1819 13.3489 13.4269 13.5270 13.6171 13.7166 13.7853 13.8635 14.0066 14.1210 14.2047 14.2488 14.2878 14.3977 14.4687 14.6264 14.6982 14.7298 14.8003 14.8891 14.9651 15.0287 15.1324 15.2707 15.4160 15.5889 15.6217 15.7248 15.8832 15.9736 16.1476 16.2721 16.4194 16.4689 16.6645 16.7437 16.8804 16.9304 17.0328 17.0874 17.2490 17.3053 17.4595 17.5921 17.6527 17.8672 17.9984 18.0358 18.2228 18.3083 18.3839 18.6613 18.7275 18.9508 19.0171 19.2195 19.3117 19.4348 19.6295 19.8159 19.9013 20.0220 20.1617 20.1846 20.2940 20.3549 20.4819 20.5364 20.6743 20.7690 20.8214 21.1001 21.2635 21.3899 21.4624 21.6488 21.7927 21.8992 21.9322 22.1218 22.2278 22.3726 22.4133 22.5814 22.6727 22.8699 22.9658 23.0721 23.2750 23.4198 23.5845 23.6487 23.7639 23.8974 24.0248 24.1899 24.3442 24.4513 24.5157 24.7080 24.9793 25.0761 25.2600 25.2903 25.5823 25.6821 25.8707 25.9913 26.1283 26.2562 26.3828 26.4543 26.6067 26.8213 26.9596 27.0259 27.2677 27.3844 27.4523 27.5573 27.7787 28.0216 28.0729 28.2636 28.2975 28.3688 28.4564 28.7266 28.7958 28.9841 29.0530 29.2095 29.3456 29.5385 29.6257 29.7976 29.8564 30.0003 30.1841 30.3092 30.4135 30.5761 30.6798 30.7908 30.9133 31.0325 31.0427 31.3015 31.3398 31.5132 31.6320 31.7933 32.0091 32.1190 32.2215 32.4396 32.4820 32.6702 32.8038 33.0124 33.1834 33.2263 33.3486 33.4564 33.6944 33.9037 34.0666 34.2264 34.4760 34.5216 34.6311 34.8385 34.9943 35.1256 35.2422 35.2709 35.4190 35.8588 35.9600 36.0507 36.1322 36.1781 36.3386 36.5873 36.7851 36.8929 36.9071 37.0705 37.2276 37.2923 37.3572 37.5410 37.7547 37.8991 38.0137 38.1805 38.4282 38.5404 38.6251 38.7420 38.8435 38.9314 39.0626 39.1585 39.4384 39.5733 39.6634 39.8308 39.9697 40.0049 40.2131 40.3381 40.4888 40.5679 40.7909 40.9494 41.0770 41.1977 41.2946 41.4191 41.6662 41.7330 41.8117 42.0049 42.2235 42.2831 42.4660 42.5784 42.6397 42.8877 42.9580 43.0542 43.1605 43.2219 43.4254 43.5503 43.7723 44.0710 44.1757 44.3107 44.4263 44.5921 44.6881 44.7338 44.7762 45.0186 45.2504 45.3695 45.5542 45.6999 45.8219 45.9841 46.1057 46.3226 46.4452 46.6846 46.8128 46.9649 47.1120 47.1805 47.5200 47.6174 47.6682 47.8973 48.1740 48.3929 48.5571 48.7070 48.8276 48.9289 49.1220 49.2367 49.3985 49.6689 49.7533 49.9855 50.2737 50.3930 50.5212 50.5455 50.8522 51.0529 51.2100 51.3169 51.6199 51.7444 51.9175 52.0864 52.2274 52.4692 52.6467 52.7441 52.8806 52.9718 53.0624 53.4814 53.7361 53.8128 54.0231 54.2709 54.5205 54.7888 54.8684 55.1507 55.1943 55.7230 55.7571 55.7959 55.9777 56.1879 56.5853 56.7686 56.9757 57.1358 57.2093 57.6134 57.6873 58.1816 58.3136 58.6891 58.9541 59.0304 59.2118 59.4543 59.4902 59.5266 59.7092 59.7292 59.9309 60.0645 60.1849 60.5522 60.6965 60.9832 61.1917 61.4106 61.8870 61.9691 62.0897 62.3867 62.4325 62.6723 62.9066 63.0552 63.1703 63.2004 63.6148 63.6666 63.8914 64.0360 64.2772 64.4703 64.5488 64.7488 64.9252 65.0912 65.3114 65.5066 65.6336 65.8991 66.1110 66.4948 66.6823 66.9400 67.2218 67.3519 67.6107 67.7765 68.0866 68.1739 68.4351 68.5955 68.7930 69.0310 69.1239 69.2515 70.0459 70.2356 70.6889 70.9659 71.2995 71.5052 71.8815 72.0647 72.4264 72.4654 72.6977 72.7547 72.8882 73.0237 73.4140 73.5623 73.7180 74.1453 74.5105 74.6405 74.8694 75.2061 75.4869 75.7546 75.8415 76.0938 76.3127 76.3853 76.5689 76.7324 76.7716 76.9550 77.3043 77.3830 77.4704 77.6094 77.9119 78.0319 78.0992 78.5677 78.7681 78.9106 79.0774 79.1046 79.1965 79.3283 79.4254 79.4827 79.6336 79.6955 79.8739 80.0120 80.0917 80.2715 80.5520 80.6308 80.7297 80.9644 81.1859 81.3312 81.4663 81.5906 81.6507 81.8418 82.0483 82.1127 82.1625 82.3381 82.4312 82.4677 82.6140 82.7614 82.8786 82.9301 83.0998 83.1640 83.2664 83.3039 83.4829 83.5921 83.7141 83.8875 84.0720 84.0991 84.1953 84.4446 84.6651 84.9667 84.9947 85.1463 85.3330 85.4014 85.4476 85.6031 85.8123 85.9008 85.9427 86.1864 86.3514 86.3964 86.4652 86.6299 86.7773 86.9326 87.0280 87.1403 87.1622 87.4586 87.6636 87.7875 87.9037 88.0024 88.1180 88.2710 88.4567 88.5065 88.6941 88.7327 88.8900 89.0328 89.1056 89.2414 89.3703 89.4451 89.5997 89.7300 89.7902 89.9287 89.9949 90.1627 90.3119 90.4906 90.5873 90.8081 90.9587 91.1040 91.1596 91.2658 91.4255 91.6204 91.7091 91.8478 92.0441 92.1073 92.2006 92.2862 92.4571 92.5637 92.7538 92.8828 93.0674 93.2123 93.3081 93.3903 93.6543 93.7262 93.7983 93.8971 94.0785 94.1323 94.3231 94.3902 94.5603 94.7326 94.8470 94.9370 95.1175 95.2440 95.3635 95.5294 95.6863 95.8958 95.9722 96.2610 96.4138 96.4916 96.6185 96.6466 96.8296 97.0160 97.1133 97.1381 97.2813 97.3536 97.6887 97.7962 97.8165 98.0849 98.1831 98.2296 98.3940 98.4980 98.6722 98.8682 99.0656 99.1912 99.3563 99.4425 99.5057 99.6415 99.7061 100.0577 100.2426 100.3945 100.5670 100.7793 100.9542 101.2617 101.3362 101.5277 101.6337 101.8138 102.0788 102.1868 102.3395 102.4199 102.5467 102.8048 102.9002 103.1271 103.3037 103.4086 103.5003 103.6476 103.8756 104.1693 104.2498 104.3130 104.5017 104.5916 104.7166 104.9019 105.1003 105.3301 105.4321 105.4960 105.7547 105.8369 105.9599 106.2837 106.3519 106.4238 106.6181 106.8188 106.9407 106.9703 107.1531 107.2722 107.3929 107.5448 107.6086 107.8680 107.8805 108.0645 108.2614 108.6552 108.7830 108.8282 108.9828 109.0658 109.4196 109.4742 109.6778 109.8950 110.0515 110.2533 110.2931 110.4068 110.8066 111.0184 111.1689 111.3253 111.4787 111.5517 111.6361 111.7702 111.8141 112.1251 112.2144 112.3603 112.6986 112.7945 112.8726 113.1563 113.2509 113.5009 113.8067 113.8299 113.9693 114.2847 114.3427 114.6019 114.6486 114.7517 114.8931 115.0158 115.1346 115.2867 115.4262 115.6350 115.8102 115.9311 115.9478 116.2711 116.3827 116.5913 116.8686 117.0532 117.1478 117.2810 117.4404 117.6206 117.7276 117.9772 118.0308 118.1689 118.3203 118.3635 118.6897 118.8705 119.0916 119.1298 119.4117 119.4843 119.7909 119.8983 120.1023 120.1420 120.2988 120.5688 120.7283 120.7714 120.9149 121.2838 121.4001 121.5563 121.6173 121.9053 121.9897 122.2378 122.4520 122.6737 122.8063 123.0746 123.4031 123.6039 123.9288 124.1378 124.2523 124.6909 124.8273 125.1535 125.2372 125.4283 125.7078 125.8566 125.9631 126.1878 126.5767 126.6188 126.7289 126.9099 127.2053 127.2657 127.4977 127.7153 127.9818 128.1451 128.5459 128.9619 129.0421 129.8548 129.9258 130.4284 130.6386 130.7558 130.8120 131.4189 131.5627 131.6761 131.8758 131.9344 132.0798 132.1552 132.3368 132.3928 132.7030 132.8846 133.1644 133.3086 133.4208 133.5794 134.0105 134.4515 134.7475 135.2326 135.3069 135.6735 135.7269 136.1447 136.2742 136.7538 137.0381 137.0723 137.2971 137.4609 137.9710 138.1680 138.2720 138.6110 138.8045 139.1019 139.3554 139.8973 139.9924 140.2604 140.3253 140.3777 140.4651 140.7697 141.0002 141.2155 141.2349 141.3341 141.5673 141.8274 141.8964 142.1623 142.4836 142.7884 143.2117 143.5042 143.5217 143.9884 144.1117 144.4940 144.5737 144.9003 145.1008 145.3237 145.4731 145.7814 146.0929 146.3174 146.4035 146.9921 147.2029 147.4314 147.8983 148.1502 148.2688 148.5855 149.0727 149.1882 149.5806 149.7813 149.9586 150.3566 150.3913 150.6859 150.9277 151.1121 151.4642 151.5739 151.7193 151.9340 152.0969 152.1898 152.6234 153.1187 153.2902 153.6431 154.1397 154.4037 154.6055 154.9814 155.0178 155.4580 155.6276 155.8001 155.9687 156.0327 156.3146 156.5685 156.7334 157.3344 157.6550 157.7853 158.1129 158.4501 158.6716 159.1838 159.4075 159.7088 160.3410 160.5504 160.9589 161.1816 161.7601 162.5467 163.0647 164.0435 164.3275 164.7414 165.0599 165.4095 165.9038 166.9662 167.0649 168.5900 168.7330 169.0229 169.6387 170.3989 170.9621 171.5585 174.3747 175.2434 176.1602 176.6347 176.9656 178.1818 179.0756 179.8271 180.8995 181.6113 183.7432 185.1513 186.5040 187.0218 187.0974 187.8560 189.5826 189.9589 191.2353 191.5206 192.7552 193.0518 193.8685 195.6377 197.3278 202.3353 202.5303 202.7301 204.7355 205.4559 210.1294 221.6285 222.9752 223.4747 227.4626 229.5806 294.9136 297.5361 312.6209 616.4210 625.5058 625.9483 626.6451 631.2947 633.9692 634.6996 635.3165 635.7963 637.1452 637.5994 638.7561 641.1788 641.6216 642.4569 644.5129 645.3081 645.4916 647.0470 654.7592 658.6003 712.6805 904.6507 1200.6256 1207.5375 1208.5995 1214.9173 -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 47 48 Cl O 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 H H H H H H H H H H H H H H H H H H H H H H -0.097827 -0.403670 -0.573031 -0.346538 -0.341781 -0.066578 -0.112555 -0.081836 0.092489 0.022893 0.278505 0.113639 -0.115333 0.060054 0.009259 -0.232202 -0.274434 0.210047 -0.188747 -0.193128 0.267491 -0.190134 -0.174988 -0.170253 0.124349 -0.121813 -0.127579 0.114065 0.119479 0.099490 0.113963 0.029207 0.113266 0.110464 0.078532 0.132196 0.134745 0.148982 0.153394 0.158437 0.141873 0.144148 0.144237 0.121255 0.096109 0.127366 0.113703 0.124522 0.114267 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 Cl O 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 H H H H H H H H H H H H H H H H H H H H H H 17.0978 8.4037 8.5730 8.3465 8.3418 7.0666 6.1126 6.0818 5.9075 5.9771 5.7215 5.8864 6.1153 5.9399 5.9907 6.2322 6.2744 5.7900 6.1887 6.1931 5.7325 6.1901 6.1750 6.1703 5.8757 6.1218 6.1276 0.8859 0.8805 0.9005 0.8860 0.9708 0.8867 0.8895 0.9215 0.8678 0.8653 0.8510 0.8466 0.8416 0.8581 0.8559 0.8558 0.8787 0.9039 0.8726 0.8863 0.8755 0.8857 17.0000 8.0000 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 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 1.0000 1.0000 1.0000 -0.0978 -0.4037 -0.5730 -0.3465 -0.3418 -0.0666 -0.1126 -0.0818 0.0925 0.0229 0.2785 0.1136 -0.1153 0.0601 0.0093 -0.2322 -0.2744 0.2100 -0.1887 -0.1931 0.2675 -0.1901 -0.1750 -0.1703 0.1243 -0.1218 -0.1276 0.1141 0.1195 0.0995 0.1140 0.0292 0.1133 0.1105 0.0785 0.1322 0.1347 0.1490 0.1534 0.1584 0.1419 0.1441 0.1442 0.1213 0.0961 0.1274 0.1137 0.1245 0.1143 1.2075 1.9269 1.9086 2.0317 2.0410 3.1341 3.9083 3.8313 3.8867 3.9781 4.1695 3.4032 3.8070 3.3905 3.4872 3.8407 3.9781 3.8809 4.0005 3.9836 3.8538 3.8722 4.0219 4.0098 3.8056 3.8698 3.8698 1.0079 1.0029 1.0396 1.0064 1.0537 1.0001 1.0003 0.9970 1.0108 1.0404 0.9995 0.9990 0.9935 1.0103 1.0081 1.0074 0.9875 0.9863 0.9936 0.9870 0.9934 0.9863 1.2075 1.9269 1.9086 2.0317 2.0410 3.1341 3.9083 3.8313 3.8867 3.9781 4.1695 3.4032 3.8070 3.3905 3.4872 3.8407 3.9781 3.8809 4.0005 3.9836 3.8538 3.8722 4.0219 4.0098 3.8056 3.8698 3.8698 1.0079 1.0029 1.0396 1.0064 1.0537 1.0001 1.0003 0.9970 1.0108 1.0404 0.9995 0.9990 0.9935 1.0103 1.0081 1.0074 0.9875 0.9863 0.9936 0.9870 0.9934 0.9863 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.9947 0.9565 0.9554 1.7513 1.0804 0.9067 1.1041 0.9071 0.9071 0.8773 1.3197 0.9420 0.9825 0.9946 0.9494 0.9963 0.9833 1.0085 0.9784 0.9844 1.0052 1.0169 1.8044 0.8372 0.8820 0.9816 1.2575 1.3747 1.3583 1.3277 1.4384 0.9621 1.4170 1.0035 1.3115 1.4778 0.9847 1.4769 0.9854 1.3820 0.9811 1.3719 0.9814 1.3704 0.9808 0.9812 0.9759 0.9823 0.9786 0.9824 0.9781 0 24 1 8 1 9 2 10 3 17 3 25 4 20 4 26 5 6 5 7 5 10 6 8 6 27 6 28 7 9 7 29 7 30 8 31 8 32 9 33 9 34 10 12 11 12 11 13 11 14 12 35 13 15 13 16 14 18 14 19 15 17 15 36 16 21 16 37 17 20 18 22 18 38 19 23 19 39 20 21 21 40 22 24 22 41 23 24 23 42 25 43 25 44 25 45 26 46 26 47 26 48 -0.029337129 -1629.457617783080 33.92138 -33.65991 0.26147 0.49360 0.24153 0.73513 4.82340 -2.98976 1.83364 1.99274 5.06514