Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 1 2 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-6.3899,-1.5429,-.2946;.8479,-2.8162,.4434;-1.3675,-1.9325,-.3203;-.6011,-.8563,1.5051;-3.5285,.937,-.7718;-4.711,.3872,-.6434;4.8532,.4805,1.606;4.2113,1.7406,1.0351;3.8506,-.5185,2.1774;5.2122,2.8084,.6043;2.835,-1.0069,1.1493;6.0943,2.4054,-.5721;2.0331,-2.1879,1.6681;7.0268,3.5221,-1.0169;-.4648,-1.6871,.6593;-2.4806,-1.1488,-.4096;-2.4159,.2264,-.6834;-1.1526,.9646,-.8669;-.1512,.489,-1.7114;-.97,2.1741,-.1992;-3.7058,-1.7422,-.2772;1.0182,1.2161,-1.8804;.202,2.8936,-.3667;1.1985,2.4168,-1.2081;-4.8008,-.8998,-.4225;5.5584,.7628,2.3945;5.4464,-.0208,.8349;3.5375,2.1669,1.7864;3.5802,1.4821,.1792;3.3222,-.0712,3.0254;4.3998,-1.3765,2.578;5.8449,3.0805,1.4569;4.664,3.7178,.3368;2.1564,-.1956,.8758;3.3532,-1.3039,.2326;6.6893,1.5258,-.3114;5.459,2.1027,-1.4113;2.6831,-3.0395,1.8772;1.4996,-1.9603,2.5915;7.651,3.2138,-1.8572;7.6949,3.8269,-.2086;6.4693,4.407,-1.3311;-.2849,-.4338,-2.262;-1.7425,2.5477,.4608;-3.808,-2.7977,-.0648;1.7877,.8442,-2.5443;.3375,3.8286,.1614;2.111,2.983,-1.343; 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 1482 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 200 Dim 1119 ENuc 2455.1448788209 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 6.472e-06 Time for diagonalization 0.429 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.208 sec Total time needed 0.643 sec 17 16 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-6.3899,-1.5429,-.2946;.8479,-2.8162,.4434;-1.3675,-1.9325,-.3203;-.6011,-.8563,1.5051;-3.5285,.937,-.7718;-4.711,.3872,-.6434;4.8532,.4805,1.606;4.2113,1.7406,1.0351;3.8506,-.5185,2.1774;5.2122,2.8084,.6043;2.835,-1.0069,1.1493;6.0943,2.4054,-.5721;2.0331,-2.1879,1.6681;7.0268,3.5221,-1.0169;-.4648,-1.6871,.6593;-2.4806,-1.1488,-.4096;-2.4159,.2264,-.6834;-1.1526,.9646,-.8669;-.1512,.489,-1.7114;-.97,2.1741,-.1992;-3.7058,-1.7422,-.2772;1.0182,1.2161,-1.8804;.202,2.8936,-.3667;1.1985,2.4168,-1.2081;-4.8008,-.8998,-.4225;5.5584,.7628,2.3945;5.4464,-.0208,.8349;3.5375,2.1669,1.7864;3.5802,1.4821,.1792;3.3222,-.0712,3.0254;4.3998,-1.3765,2.578;5.8449,3.0805,1.4569;4.664,3.7178,.3368;2.1564,-.1956,.8758;3.3532,-1.3039,.2326;6.6893,1.5258,-.3114;5.459,2.1027,-1.4113;2.6831,-3.0395,1.8772;1.4996,-1.9603,2.5915;7.651,3.2138,-1.8572;7.6949,3.8269,-.2086;6.4693,4.407,-1.3311;-.2849,-.4338,-2.262;-1.7425,2.5477,.4608;-3.808,-2.7977,-.0648;1.7877,.8442,-2.5443;.3375,3.8286,.1614;2.111,2.983,-1.343; 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" 355.7334999999997 AuxInfo=1/0/N:14,12,10,8,7,9,24,22,23,11,19,20,13,21,18,16,25,17,15,1,6,5,4,3,2/E:(8,9)(11,12)/CRV:7.3,8.3,9.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,19.3,21.2,22.2,23.1/rA:48nClSOO1N2N2CCCCCCCCC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;;s7;s7;s8;s9;s10;s2s11;s12;s2s3s4;s3;s5s16;s17;s18;s18;s16;s19;s20;s22s23;s1s6s21;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s19;s20;s21;s22;s23;s24;/rC:-6.3899,-1.5429,-.2946;.8479,-2.8162,.4434;-1.3675,-1.9325,-.3203;-.6011,-.8563,1.5051;-3.5285,.937,-.7718;-4.711,.3872,-.6434;4.8532,.4805,1.606;4.2113,1.7406,1.0351;3.8506,-.5185,2.1774;5.2122,2.8084,.6043;2.835,-1.0069,1.1493;6.0943,2.4054,-.5721;2.0331,-2.1879,1.6681;7.0268,3.5221,-1.0169;-.4648,-1.6871,.6593;-2.4806,-1.1488,-.4096;-2.4159,.2264,-.6834;-1.1526,.9646,-.8669;-.1512,.489,-1.7114;-.97,2.1741,-.1992;-3.7058,-1.7422,-.2772;1.0182,1.2161,-1.8804;.202,2.8936,-.3667;1.1985,2.4168,-1.2081;-4.8008,-.8998,-.4225;5.5584,.7628,2.3945;5.4464,-.0208,.8349;3.5375,2.1669,1.7864;3.5802,1.4821,.1792;3.3222,-.0712,3.0254;4.3998,-1.3765,2.578;5.8449,3.0805,1.4569;4.664,3.7178,.3368;2.1564,-.1956,.8758;3.3532,-1.3039,.2326;6.6893,1.5258,-.3114;5.459,2.1027,-1.4113;2.6831,-3.0395,1.8772;1.4996,-1.9603,2.5915;7.651,3.2138,-1.8572;7.6949,3.8269,-.2086;6.4693,4.407,-1.3311;-.2849,-.4338,-2.262;-1.7425,2.5477,.4608;-3.808,-2.7977,-.0648;1.7877,.8442,-2.5443;.3375,3.8286,.1614;2.111,2.983,-1.343; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl S O N C H 2.3800 2.4900 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 2826 GEPOL Volume 2810.9047 GEPOL Surface-area 1552.1988 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1856.33266803 2455.14487882 -4311.47754686 -7422.30359342 3110.82604657 -0.02514771 -3706.94205476 1850.60938672 2.00309265 100.000010389090 100.000010389090 200.000020778180 -138.233588223869 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.6764 -2421.1394 -525.6920 -523.8019 -393.9072 -393.8689 -284.4747 -282.7884 -282.6768 -281.6118 -280.9434 -280.5519 -280.3292 -279.9585 -279.9040 -279.8462 -279.8270 -279.8085 -279.4848 -279.2826 -279.1650 -279.1628 -279.1200 -279.1056 -278.9869 -260.9540 -219.6741 -199.7921 -199.5545 -199.5397 -163.9938 -163.8776 -163.7704 -34.6861 -32.2012 -31.9108 -28.0017 -27.0886 -26.4390 -25.7765 -25.4487 -25.0650 -24.3232 -23.8040 -23.6764 -23.3468 -22.4521 -21.7357 -21.5070 -20.3218 -19.8655 -19.5966 -19.5123 -19.1373 -18.7818 -18.1982 -17.9380 -17.5036 -17.0893 -16.8532 -16.2755 -15.9654 -15.8901 -15.5969 -15.5175 -15.2933 -15.1363 -14.9191 -14.8244 -14.6594 -14.4151 -14.2323 -14.0927 -13.8956 -13.8325 -13.4329 -13.1517 -12.9618 -12.8719 -12.7592 -12.6627 -12.4771 -12.1948 -12.0234 -12.0101 -11.8348 -11.7342 -11.6110 -11.4240 -11.2493 -11.0450 -10.9196 -10.7829 -10.7417 -10.6473 -10.4213 -9.7678 -9.7070 -9.4259 -9.1203 0.1982 0.3867 1.4588 1.8927 1.9457 2.5882 2.9652 3.0706 3.6029 3.6616 3.7281 3.8387 4.1470 4.2396 4.4161 4.5379 4.5903 4.6258 4.8770 4.9491 5.1714 5.2590 5.3906 5.4440 5.5394 5.6439 5.8756 5.9733 6.0464 6.1047 6.1501 6.3009 6.3610 6.4253 6.5890 6.6081 6.7761 6.8691 7.0375 7.2351 7.2808 7.4627 7.4938 7.6836 7.8221 7.8962 7.9982 8.1137 8.1513 8.2274 8.4226 8.5214 8.6205 8.6564 8.7910 8.8878 8.9652 9.1339 9.1498 9.2535 9.2870 9.5367 9.5925 9.6952 9.7803 9.8976 10.0504 10.0859 10.3041 10.3860 10.5895 10.6501 10.7963 10.8647 10.9628 11.0787 11.1322 11.2084 11.2406 11.3602 11.5310 11.7094 11.7974 11.9335 11.9496 12.0468 12.1967 12.3339 12.3993 12.5323 12.5924 12.6889 12.7393 12.8629 13.0114 13.1321 13.2899 13.3832 13.4860 13.6089 13.6206 13.6426 13.7792 13.9402 13.9636 14.0403 14.1819 14.2074 14.2707 14.3270 14.4350 14.5574 14.6541 14.7309 14.8397 14.9430 15.0524 15.1020 15.1965 15.3077 15.3463 15.3873 15.4774 15.5586 15.6311 15.7509 15.8155 15.8673 15.9715 16.1559 16.2277 16.3341 16.4140 16.5692 16.6285 16.7336 16.7948 16.9412 16.9979 17.0744 17.2457 17.4182 17.5198 17.6239 17.8359 18.0187 18.0986 18.2387 18.2476 18.5974 18.7192 18.8121 18.9668 19.0494 19.1253 19.3296 19.4622 19.6027 19.6682 19.8411 20.0230 20.1059 20.1482 20.2464 20.6067 20.7291 20.8343 20.8700 21.0201 21.2562 21.2879 21.4501 21.5122 21.7609 21.8658 22.0945 22.1085 22.1612 22.4488 22.6173 22.7316 22.8476 22.9083 23.0817 23.1676 23.2073 23.5428 23.6767 23.7935 23.9898 24.0412 24.1093 24.2587 24.3217 24.4776 25.0742 25.2000 25.2647 25.4195 25.5608 25.6422 25.7930 25.9929 26.0794 26.2145 26.5034 26.5887 26.7492 27.0247 27.1134 27.2344 27.3608 27.4493 27.6237 27.7703 27.9819 28.2046 28.3347 28.4999 28.5776 28.6902 28.7363 29.0222 29.1247 29.2057 29.3063 29.6625 29.8704 29.8758 30.1933 30.4005 30.4505 30.6402 30.6912 30.8939 31.0635 31.1433 31.3486 31.5711 31.6287 31.7918 32.0450 32.0857 32.2579 32.3747 32.4397 32.4938 32.6072 32.7936 32.8856 33.2080 33.4251 33.4749 33.4881 33.6196 33.7960 33.8443 33.9603 34.0577 34.2703 34.5461 34.6083 34.7943 34.8917 35.0085 35.1932 35.3270 35.4899 35.5754 35.8265 35.9144 35.9511 36.1443 36.2670 36.4820 36.6904 36.8882 36.9666 37.0703 37.0850 37.2894 37.3222 37.4363 37.6381 37.8836 37.9797 38.2360 38.2953 38.4630 38.5132 38.5497 38.7128 38.8177 39.0157 39.2027 39.3150 39.4164 39.5000 39.7095 39.7982 40.0737 40.2395 40.3221 40.3992 40.8478 40.9200 41.1408 41.1428 41.3582 41.4517 41.5069 41.6474 41.7730 41.9803 42.0872 42.1910 42.3302 42.4501 42.5043 42.5617 42.6118 42.8189 42.8709 43.0713 43.1393 43.3699 43.6542 43.7452 43.8492 43.8782 43.9412 44.0618 44.1293 44.4973 44.6244 44.6916 44.8838 45.0661 45.2086 45.2847 45.5335 45.6133 45.6824 45.8686 46.0008 46.0808 46.2547 46.2814 46.4127 46.6245 46.7063 46.8839 47.0713 47.1702 47.3642 47.4959 47.7504 47.7751 47.8305 48.1054 48.1935 48.3255 48.4029 48.7298 48.8149 49.0455 49.1465 49.4608 49.5193 49.6491 49.7518 50.0255 50.1485 50.2798 50.4106 50.6862 50.8426 51.0651 51.1955 51.3645 51.5010 51.6377 51.7740 51.9595 52.0542 52.2102 52.3099 52.7223 52.7912 52.8940 53.2186 53.2532 53.5594 53.6643 53.9951 54.2402 54.3066 54.6447 55.0172 55.1424 55.3838 55.4914 55.8389 56.0715 56.3238 56.6550 56.7904 57.0629 57.2605 57.6752 57.9663 58.1581 58.4060 58.6310 58.7680 58.9832 59.2316 59.4150 59.5786 59.7180 59.8497 60.0590 60.0987 60.3727 60.4832 60.8267 60.9019 60.9531 61.0709 61.1724 61.4640 61.7795 61.9648 62.0876 62.4019 62.5345 62.6131 62.8366 62.9495 63.4139 63.5074 63.8388 64.0267 64.0475 64.4390 64.9345 65.1019 65.3179 65.4823 65.5559 65.7426 65.8194 66.0199 66.2269 66.5316 66.7535 67.0876 67.4562 67.6863 67.8515 68.1369 68.5355 69.0112 69.1116 69.2973 69.8153 69.9894 70.2289 70.5370 70.9415 71.2233 71.3151 71.5986 71.6945 71.9003 72.0312 72.4125 72.5702 72.8400 72.9671 73.1710 73.3815 73.6456 73.8405 74.0755 74.3290 74.4352 74.5735 74.9093 74.9433 75.1430 75.2941 75.5536 75.7770 76.0475 76.0876 76.2629 76.5779 76.9150 77.1025 77.1162 77.3990 77.4470 77.7178 77.7483 78.0075 78.2527 78.3978 78.8436 79.0396 79.2168 79.3003 79.6752 79.7803 79.9480 80.0516 80.1564 80.2878 80.3849 80.5580 80.7030 80.9120 81.1846 81.3736 81.4813 81.6190 81.7568 81.9237 82.0697 82.3125 82.3996 82.6518 82.6936 82.9091 83.1329 83.3194 83.5784 83.6333 83.9024 84.0263 84.1251 84.1450 84.3186 84.3780 84.4973 84.8281 84.8808 85.0549 85.1805 85.4094 85.4851 85.5468 85.7725 85.8033 85.9207 86.1020 86.1654 86.3682 86.3944 86.5382 86.6786 86.7748 86.9543 87.0401 87.1137 87.4488 87.5180 87.6761 87.8360 87.8799 87.9598 87.9718 88.2351 88.3079 88.5026 88.6538 88.6814 88.8388 88.9463 89.0826 89.2701 89.4297 89.4707 89.5968 89.7046 89.8294 89.9165 90.0821 90.2236 90.2943 90.4507 90.5083 90.5450 90.7155 90.7773 90.9458 91.0300 91.1073 91.1395 91.2967 91.4864 91.6112 91.6510 91.7953 91.8517 92.0198 92.1655 92.4557 92.5912 92.6842 92.8718 93.0259 93.2232 93.2712 93.4849 93.5744 93.6521 93.7521 94.0593 94.2829 94.3748 94.5031 94.5804 94.7087 94.8015 95.0773 95.2487 95.3180 95.3696 95.5744 95.6891 96.0460 96.0928 96.2343 96.3646 96.5258 96.8425 97.0484 97.2475 97.5411 97.6552 97.7312 97.8705 98.0997 98.2738 98.4829 98.6163 98.7518 98.9033 99.0488 99.1796 99.2383 99.4125 99.6096 99.8925 100.1197 100.2781 100.4620 100.5019 100.5915 100.7187 100.8662 101.2539 101.5366 101.5957 101.6861 101.8226 101.8981 101.9928 102.1780 102.3026 102.4110 102.5555 102.9615 103.1011 103.2922 103.5963 103.7110 103.9287 104.0103 104.2867 104.3664 104.6599 104.9848 105.1146 105.2901 105.3262 105.6010 105.7880 105.8927 105.9446 106.0823 106.2483 106.2944 106.8436 107.0301 107.2559 107.3332 107.4903 107.6114 107.7678 107.9581 108.0513 108.2919 108.3350 108.5875 108.7723 108.8359 108.9703 109.1171 109.2145 109.4895 109.5102 109.6941 109.8648 110.0197 110.0507 110.2305 110.5234 110.5835 110.7561 110.8425 111.0028 111.0765 111.2505 111.4358 111.5174 111.9312 112.0797 112.2156 112.3189 112.4883 112.5759 112.7795 113.0599 113.1406 113.3229 113.4851 113.6142 113.9330 113.9836 114.1926 114.4040 114.4447 114.5081 114.6165 114.8876 114.9715 115.1633 115.2231 115.5732 115.6161 115.9126 115.9551 116.0579 116.3067 116.4828 116.6231 116.7250 116.8058 116.9353 117.0309 117.1735 117.2898 117.5075 117.7678 117.8279 118.0294 118.1778 118.4310 118.5180 118.8256 118.9225 119.1425 119.2666 119.4075 119.6116 119.7164 119.8673 120.0250 120.0794 120.3044 120.4545 120.6964 120.7901 120.8897 121.1521 121.1897 121.3365 121.4178 121.5507 121.7639 121.9746 122.0948 122.3256 122.4489 122.7101 123.2404 123.6260 123.8237 123.9513 124.2652 124.4889 124.8464 124.9406 125.2865 125.7861 125.8277 126.7421 126.8041 127.1495 127.4636 127.5067 127.7702 128.2042 128.3318 128.5510 128.8499 128.8863 129.1316 129.4328 129.6453 129.7004 129.8133 130.0203 130.1138 130.4330 130.6014 130.8762 130.9343 131.1422 131.2115 131.3888 131.6407 131.9837 132.0630 132.2822 132.4002 132.7284 133.1518 133.2211 133.4299 133.5263 134.0932 134.3362 134.5799 134.8020 135.0185 135.2198 135.6076 135.9642 136.0322 136.1020 136.4415 136.5782 136.7997 136.8758 137.1580 137.2959 137.6914 138.0722 138.1096 138.4134 138.6218 138.7447 138.9235 138.9952 139.2687 139.6014 139.8274 140.0286 140.3587 140.7369 140.9922 141.1305 141.4619 141.5395 141.6941 142.2705 142.3429 142.5686 142.7871 143.0971 143.5307 143.9829 144.3490 144.4937 144.5586 144.7219 145.1567 145.6909 146.1651 146.4482 146.5144 146.7076 147.9135 148.1146 148.5115 148.6749 148.7270 148.8977 148.9780 149.3301 149.3457 149.4766 150.0371 150.2193 150.6851 150.8342 151.0468 151.1795 151.6093 151.9506 152.2384 152.6347 152.8645 152.9310 153.0381 153.2428 153.4496 153.5377 153.8215 153.8850 154.1618 154.2846 154.6751 154.8662 155.2876 155.4168 155.7089 155.8409 156.1667 156.1963 156.7411 156.8298 156.9682 157.5020 157.9901 158.1373 158.3865 158.4037 158.9637 159.0504 159.3381 159.4543 159.6768 159.8852 160.6592 160.9236 161.0540 161.6285 161.7310 163.0924 163.3067 165.5246 166.0358 167.9981 168.8056 169.1878 170.5144 172.1239 173.6352 174.2483 177.0413 177.9966 179.4182 181.9652 184.4421 185.1852 185.9028 187.2409 187.8619 188.0969 188.9168 189.7767 191.6677 193.6120 195.4258 195.8811 198.1384 201.1942 202.6231 204.6033 221.2453 222.4335 223.0664 226.4826 228.8711 246.5981 257.9108 262.6972 294.5292 296.4934 311.8203 545.3831 619.8103 622.0249 626.4060 631.0247 632.0331 634.1412 634.5426 634.9654 636.5954 637.6070 637.8155 638.9980 640.2113 640.8861 642.3547 643.6887 643.9788 646.0140 659.5295 709.9896 880.8629 886.9369 1199.0328 1211.4305 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 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.045978 -0.047143 -0.285468 -0.376561 -0.141104 -0.195673 -0.134688 -0.089099 -0.153413 -0.153462 -0.103850 -0.073927 -0.107856 -0.284227 0.346438 0.179722 0.251922 0.017575 -0.166210 -0.170821 -0.138788 -0.182834 -0.157683 -0.144628 0.153237 0.073420 0.066399 0.083963 0.029299 0.074478 0.075956 0.066443 0.070217 0.051951 0.078134 0.058446 0.056063 0.129037 0.116702 0.089774 0.078293 0.077965 0.157691 0.140225 0.153478 0.154426 0.156085 0.166077 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 Cl S O O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 17.0460 16.0471 8.2855 8.3766 7.1411 7.1957 6.1347 6.0891 6.1534 6.1535 6.1039 6.0739 6.1079 6.2842 5.6536 5.8203 5.7481 5.9824 6.1662 6.1708 6.1388 6.1828 6.1577 6.1446 5.8468 0.9266 0.9336 0.9160 0.9707 0.9255 0.9240 0.9336 0.9298 0.9480 0.9219 0.9416 0.9439 0.8710 0.8833 0.9102 0.9217 0.9220 0.8423 0.8598 0.8465 0.8456 0.8439 0.8339 17.0000 16.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0460 -0.0471 -0.2855 -0.3766 -0.1411 -0.1957 -0.1347 -0.0891 -0.1534 -0.1535 -0.1039 -0.0739 -0.1079 -0.2842 0.3464 0.1797 0.2519 0.0176 -0.1662 -0.1708 -0.1388 -0.1828 -0.1577 -0.1446 0.1532 0.0734 0.0664 0.0840 0.0293 0.0745 0.0760 0.0664 0.0702 0.0520 0.0781 0.0584 0.0561 0.1290 0.1167 0.0898 0.0783 0.0780 0.1577 0.1402 0.1535 0.1544 0.1561 0.1661 1.2564 2.4089 2.1190 2.1235 2.9473 2.9380 3.9084 3.8723 3.9294 3.9075 3.8655 3.8498 3.8873 3.9499 4.2827 3.8651 3.8170 3.5508 3.8583 3.9847 4.0454 3.8745 3.9262 3.8445 4.2086 1.0124 1.0062 1.0079 1.0235 1.0087 1.0105 1.0093 1.0089 1.0217 1.0130 1.0077 1.0050 1.0097 1.0242 1.0033 1.0005 1.0014 1.0063 1.0177 1.0071 0.9964 0.9937 0.9826 1.2564 2.4089 2.1190 2.1235 2.9473 2.9380 3.9084 3.8723 3.9294 3.9075 3.8655 3.8498 3.8873 3.9499 4.2827 3.8651 3.8170 3.5508 3.8583 3.9847 4.0454 3.8745 3.9262 3.8445 4.2086 1.0124 1.0062 1.0079 1.0235 1.0087 1.0105 1.0093 1.0089 1.0217 1.0130 1.0077 1.0050 1.0097 1.0242 1.0033 1.0005 1.0014 1.0063 1.0177 1.0071 0.9964 0.9937 0.9826 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1373 0.9419 1.2581 1.0435 0.9081 1.9257 1.1717 1.5730 1.5899 0.9316 0.9435 1.0065 1.0091 0.9478 0.9946 1.0057 0.9213 1.0092 1.0146 0.9333 1.0078 1.0069 0.9325 0.9994 0.9938 0.9393 1.0013 0.9987 0.9838 0.9966 1.0004 0.9949 0.9972 1.2430 1.5301 0.9218 1.3049 1.3645 1.4314 0.9939 1.4706 0.9848 1.3287 0.9474 1.3732 0.9992 1.3896 0.9854 0.9811 0 24 1 12 1 14 2 14 2 15 3 14 4 5 4 16 5 24 6 7 6 8 6 25 6 26 7 9 7 27 7 28 8 10 8 29 8 30 9 11 9 31 9 32 10 12 10 33 10 34 11 13 11 35 11 36 12 37 12 38 13 39 13 40 13 41 15 16 15 20 16 17 17 18 17 19 18 21 18 42 19 22 19 43 20 24 20 44 21 23 21 45 22 23 22 46 23 47 -0.025354718 -1856.358022752566 81.94719 -79.36596 2.58123 25.82823 -27.33708 -1.50886 7.29088 -7.01413 0.27675 3.00266 7.63216