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:-6.46,-1.6472,.0161;.5434,.1306,1.7797;-1.5427,-.7776,.718;-1.2052,1.3944,.2285;-3.5364,-.8404,-2.3009;-4.7254,-1.1085,-1.8173;4.535,1.2574,1.3063;5.7236,.303,1.3386;3.4564,.8416,.3111;6.8859,.7823,2.205;2.247,1.7716,.295;6.5513,.9558,3.6826;1.3961,1.722,1.5551;7.7602,1.3609,4.5138;-.8578,.3899,.7721;-2.6106,-.8699,-.1264;-2.4764,-.7321,-1.5176;-1.194,-.4374,-2.1838;-1.1399,.5876,-3.1261;-.0434,-1.1701,-1.8986;-3.8417,-1.1515,.397;.0522,.8835,-3.7671;1.1469,-.8733,-2.5468;1.1984,.1548,-3.4778;-4.8728,-1.2729,-.5278;4.8859,2.2641,1.0511;4.1055,1.3329,2.3092;6.0885,.1512,.3175;5.3895,-.6802,1.6882;3.1318,-.1842,.5189;3.8882,.8167,-.6937;7.2653,1.7308,1.8081;7.7113,.0687,2.1129;2.5857,2.8056,.1734;1.6191,1.5571,-.5734;5.7681,1.709,3.8043;6.1353,.0208,4.0722;1.997,1.8438,2.457;.6478,2.5136,1.5719;7.4999,1.4853,5.5662;8.1806,2.3078,4.168;8.553,.612,4.4588;-2.0294,1.164,-3.3458;-.0741,-1.9902,-1.1924;-3.9997,-1.2653,1.4609;.0865,1.6871,-4.4913;2.0349,-1.4509,-2.3255;2.1293,.387,-3.9788; 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 2417.5615551267 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 6.900e-06 Time for diagonalization 0.432 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.209 sec Total time needed 0.646 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:-6.46,-1.6472,.0161;.5434,.1306,1.7797;-1.5427,-.7776,.718;-1.2052,1.3944,.2285;-3.5364,-.8404,-2.3009;-4.7254,-1.1085,-1.8173;4.535,1.2574,1.3063;5.7236,.303,1.3386;3.4564,.8416,.3111;6.8859,.7823,2.205;2.247,1.7716,.295;6.5513,.9558,3.6826;1.3961,1.722,1.5551;7.7602,1.3609,4.5138;-.8578,.3899,.7721;-2.6106,-.8699,-.1264;-2.4764,-.7321,-1.5176;-1.194,-.4374,-2.1838;-1.1399,.5876,-3.1261;-.0434,-1.1701,-1.8986;-3.8417,-1.1515,.397;.0522,.8835,-3.7671;1.1469,-.8733,-2.5468;1.1984,.1548,-3.4778;-4.8728,-1.2729,-.5278;4.8859,2.2641,1.0511;4.1055,1.3329,2.3092;6.0885,.1512,.3175;5.3895,-.6802,1.6882;3.1318,-.1842,.5189;3.8882,.8167,-.6937;7.2653,1.7308,1.8081;7.7113,.0687,2.1129;2.5857,2.8056,.1734;1.6191,1.5571,-.5734;5.7681,1.709,3.8043;6.1353,.0208,4.0722;1.997,1.8438,2.457;.6478,2.5136,1.5719;7.4999,1.4853,5.5662;8.1806,2.3078,4.168;8.553,.612,4.4588;-2.0294,1.164,-3.3458;-.0741,-1.9902,-1.1924;-3.9997,-1.2653,1.4609;.0865,1.6871,-4.4913;2.0349,-1.4509,-2.3255;2.1293,.387,-3.9788; 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:-6.46,-1.6472,.0161;.5434,.1306,1.7797;-1.5427,-.7776,.718;-1.2052,1.3944,.2285;-3.5364,-.8404,-2.3009;-4.7254,-1.1085,-1.8173;4.535,1.2574,1.3063;5.7236,.303,1.3386;3.4564,.8416,.3111;6.8859,.7823,2.205;2.247,1.7716,.295;6.5513,.9558,3.6826;1.3961,1.722,1.5551;7.7602,1.3609,4.5138;-.8578,.3899,.7721;-2.6106,-.8699,-.1264;-2.4764,-.7321,-1.5176;-1.194,-.4374,-2.1838;-1.1399,.5876,-3.1261;-.0434,-1.1701,-1.8986;-3.8417,-1.1515,.397;.0522,.8835,-3.7671;1.1469,-.8733,-2.5468;1.1984,.1548,-3.4778;-4.8728,-1.2729,-.5278;4.8859,2.2641,1.0511;4.1055,1.3329,2.3092;6.0885,.1512,.3175;5.3895,-.6802,1.6882;3.1318,-.1842,.5189;3.8882,.8167,-.6937;7.2653,1.7308,1.8081;7.7113,.0687,2.1129;2.5857,2.8056,.1734;1.6191,1.5571,-.5734;5.7681,1.709,3.8043;6.1353,.0208,4.0722;1.997,1.8438,2.457;.6478,2.5136,1.5719;7.4999,1.4853,5.5662;8.1806,2.3078,4.168;8.553,.612,4.4588;-2.0294,1.164,-3.3458;-.0741,-1.9902,-1.1924;-3.9997,-1.2653,1.4609;.0865,1.6871,-4.4913;2.0349,-1.4509,-2.3255;2.1293,.387,-3.9788; 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 2807 GEPOL Volume 2806.1460 GEPOL Surface-area 1554.6396 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.9s -1856.33238158 2417.56155513 -4273.89393671 -7347.05172447 3073.15778776 -0.02507288 -3706.93028940 1850.59790782 2.00309871 99.999995945444 99.999995945444 199.999991890888 -138.232258753232 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 -2765.6758 -2421.1200 -525.6918 -523.7922 -393.9099 -393.8628 -284.4639 -282.7929 -282.6780 -281.6095 -280.9460 -280.5323 -280.3333 -279.9637 -279.9099 -279.8511 -279.8330 -279.8167 -279.5153 -279.2677 -279.1681 -279.1582 -279.1516 -279.1318 -278.9925 -260.9536 -219.6548 -199.7917 -199.5542 -199.5392 -163.9751 -163.8577 -163.7514 -34.6900 -32.1904 -31.9047 -28.0032 -27.0900 -26.4347 -25.7860 -25.4487 -25.0345 -24.2870 -23.8111 -23.6820 -23.3478 -22.4430 -21.7405 -21.4986 -20.5035 -19.8930 -19.5885 -19.4459 -19.2075 -18.5464 -18.1963 -18.0725 -17.5048 -17.0703 -16.7427 -16.2586 -16.0182 -15.8022 -15.5918 -15.5393 -15.2986 -15.1398 -15.0460 -14.8874 -14.4608 -14.4166 -14.3091 -14.2406 -14.1544 -13.4807 -13.4338 -13.3583 -13.0478 -12.7596 -12.7532 -12.5065 -12.4107 -12.3992 -12.0204 -11.9558 -11.7912 -11.7069 -11.6068 -11.4275 -11.2774 -11.0089 -10.9249 -10.7993 -10.7151 -10.6661 -10.4163 -9.7790 -9.7383 -9.4123 -9.1547 0.2026 0.3948 1.4412 1.9063 1.9185 2.6298 2.9530 3.2853 3.4399 3.7128 3.8409 3.9162 3.9627 4.2152 4.3507 4.5067 4.6495 4.8413 4.9157 5.0592 5.1485 5.2677 5.3285 5.4613 5.5280 5.6041 5.7260 5.8433 6.0051 6.0811 6.1149 6.1507 6.2682 6.3935 6.5074 6.6300 6.6822 6.9560 7.2378 7.2693 7.4143 7.4382 7.5385 7.6884 7.7796 7.8843 7.9446 7.9619 8.0896 8.1715 8.2394 8.4477 8.5682 8.6810 8.8494 8.8999 8.9361 8.9820 9.1501 9.2146 9.2670 9.3773 9.4966 9.5926 9.6905 9.9157 10.0569 10.2128 10.3092 10.4169 10.5453 10.5896 10.6485 10.8669 10.8906 11.0230 11.1861 11.2453 11.3022 11.4036 11.5135 11.5501 11.8457 11.9199 11.9390 11.9801 12.1547 12.2039 12.3452 12.4651 12.4684 12.6340 12.7402 12.8859 12.9316 13.0684 13.1126 13.2292 13.3570 13.4081 13.4861 13.5145 13.6217 13.7572 13.8694 14.0198 14.1167 14.1273 14.2319 14.2522 14.4092 14.4738 14.6075 14.6915 14.7400 14.8665 14.9645 15.0292 15.0717 15.2579 15.3003 15.3548 15.4089 15.5274 15.5797 15.6426 15.7135 15.8039 15.9810 16.1031 16.1980 16.2385 16.3562 16.4669 16.5125 16.6118 16.7873 16.8326 17.0386 17.1123 17.1599 17.1916 17.4360 17.4995 17.6775 17.8949 18.0529 18.1273 18.1782 18.2758 18.5234 18.7175 18.8716 18.9274 19.0509 19.1591 19.3325 19.5869 19.6006 19.8515 19.9397 19.9773 20.1329 20.2750 20.4336 20.5155 20.8006 20.8803 21.0506 21.1126 21.2404 21.4086 21.5425 21.6934 21.7387 21.9096 22.0890 22.1947 22.2745 22.2816 22.5373 22.8186 22.9345 22.9418 23.2169 23.3453 23.4754 23.5860 23.6078 23.7532 24.0977 24.2208 24.3066 24.5455 24.7442 24.8573 24.9403 25.1290 25.3315 25.4421 25.5815 25.8462 25.9240 25.9989 26.0676 26.2646 26.3380 26.6364 26.7008 27.0395 27.2611 27.4033 27.5472 27.7228 27.8411 28.0989 28.1974 28.2122 28.4766 28.5410 28.6292 28.8957 28.9792 28.9979 29.1478 29.4804 29.5488 29.7493 29.9348 30.0915 30.1703 30.4081 30.4774 30.6638 30.9034 30.9655 31.1333 31.2501 31.3207 31.5666 31.6231 31.7619 31.8538 31.9626 32.0951 32.3115 32.4596 32.5162 32.6311 32.7750 32.8012 33.0974 33.1497 33.2882 33.4398 33.5921 33.7411 33.9951 34.2077 34.2410 34.2632 34.4673 34.5247 34.6927 34.9054 35.0133 35.1102 35.2252 35.3157 35.4507 35.5454 35.6888 35.7438 36.0676 36.4452 36.5139 36.6132 36.8278 36.8568 36.9939 37.1546 37.3591 37.4508 37.8031 37.9354 37.9908 38.0200 38.1826 38.2604 38.5151 38.5608 38.5872 38.9108 39.0333 39.2201 39.2398 39.4231 39.6499 39.6577 39.8324 39.9681 40.1130 40.2987 40.3589 40.6717 40.7677 40.9748 41.1356 41.2599 41.2912 41.5908 41.6138 41.7396 41.9031 42.0033 42.0353 42.2034 42.3537 42.4672 42.5156 42.6168 42.7332 42.9099 43.0214 43.2061 43.3944 43.4294 43.5459 43.6025 43.7225 43.9005 44.0464 44.1375 44.2696 44.3276 44.5189 44.6085 44.7374 44.9952 45.0781 45.2095 45.3606 45.4343 45.7350 45.7931 45.9548 46.1418 46.3386 46.5803 46.6712 46.7381 46.8302 46.9953 47.0895 47.1724 47.1942 47.3789 47.6361 47.7627 47.7842 47.8447 48.2082 48.3610 48.6149 48.7133 49.0217 49.0878 49.2367 49.2768 49.5786 49.7432 49.9395 49.9994 50.1718 50.2176 50.3811 50.5422 50.7342 50.8184 51.1349 51.4447 51.4850 51.7055 51.7514 51.8579 52.1113 52.5019 52.5818 52.7587 52.8681 53.1050 53.5156 53.6176 53.6968 54.0055 54.1357 54.3654 54.6048 54.9104 55.1520 55.5188 55.5618 55.9498 56.1711 56.1901 56.5637 56.7634 57.0326 57.2618 57.5958 57.7846 58.1557 58.3743 58.4319 58.5974 58.9287 59.1836 59.2368 59.4453 59.6933 59.8969 60.0078 60.1587 60.2702 60.5396 60.6255 60.7833 60.9594 61.0893 61.1821 61.4234 61.5898 62.1124 62.2311 62.4302 62.5879 62.6661 63.0730 63.1425 63.3427 63.4487 63.7946 64.1614 64.2569 64.4509 64.8804 65.0322 65.1859 65.4763 65.5400 65.7118 65.9493 66.1320 66.1409 66.7299 66.8044 67.0028 67.4005 67.7920 67.8424 68.4645 68.6615 68.9189 69.0558 69.2509 69.4998 69.8397 70.1490 70.3397 70.7162 71.1127 71.3719 71.4784 71.5162 71.9265 72.0490 72.2197 72.6796 72.7337 72.8686 72.9104 73.3357 73.5234 73.6460 73.9383 74.1729 74.2717 74.4347 74.8175 75.0571 75.1798 75.4214 75.5251 75.6780 75.8378 76.1163 76.5192 76.6931 76.7613 76.8743 77.0781 77.3130 77.4077 77.5054 77.7210 77.9224 78.2211 78.3001 78.7221 78.8648 79.1465 79.3558 79.5050 79.6327 79.6865 79.9517 80.0544 80.0953 80.3930 80.5858 80.6393 80.9494 81.1236 81.4127 81.4811 81.6434 81.7212 81.8996 82.0428 82.2126 82.5505 82.5748 82.9377 83.0173 83.1095 83.1962 83.4364 83.6251 83.8356 84.0278 84.1403 84.2568 84.3888 84.4252 84.6386 84.7204 84.7877 84.9062 85.1537 85.2507 85.3512 85.5106 85.5826 85.7569 85.8830 86.0169 86.0846 86.2217 86.2609 86.4072 86.5914 86.7306 86.8632 86.9498 87.2337 87.3025 87.4259 87.5401 87.6740 87.8098 87.9399 88.0612 88.1067 88.1449 88.3900 88.4970 88.5793 88.6682 88.8574 88.9786 89.0677 89.3733 89.4769 89.6072 89.6977 89.8850 89.9836 90.0475 90.1655 90.2720 90.3184 90.4406 90.5435 90.7502 90.7963 90.9949 91.1562 91.2110 91.3675 91.4545 91.5184 91.7186 91.7856 91.8178 92.0731 92.1453 92.1752 92.3269 92.4991 92.7483 92.8115 92.9729 93.0041 93.2807 93.3337 93.4007 93.6506 93.7877 93.8254 94.0952 94.1777 94.2269 94.2999 94.5239 94.6033 94.8961 94.9923 95.1036 95.2963 95.3864 95.5866 95.9002 96.0404 96.0772 96.2654 96.7377 96.8424 96.9204 97.0121 97.3115 97.5770 97.6207 97.8400 98.0405 98.2813 98.4114 98.5266 98.7620 99.0107 99.0775 99.1289 99.4543 99.5017 99.5745 99.8298 100.0218 100.1454 100.2897 100.4107 100.6755 100.7221 101.0558 101.2966 101.4272 101.5793 101.7758 101.8014 101.8555 101.9686 102.1844 102.2795 102.4957 102.7008 102.8394 102.9566 103.1500 103.3010 103.5190 103.7329 103.8650 103.9989 104.2589 104.7023 104.7901 104.8774 105.0722 105.2853 105.3707 105.4320 105.6991 105.8916 106.0271 106.1822 106.3677 106.5325 106.8146 106.8485 107.1328 107.2490 107.4484 107.5623 107.7199 107.9104 108.2816 108.3820 108.4514 108.6465 108.7618 108.7896 108.9614 109.0775 109.4208 109.4446 109.6738 109.7678 109.8306 109.9713 110.0862 110.2657 110.3575 110.4877 110.7336 110.8427 110.9977 111.3191 111.3916 111.4518 111.6183 111.8098 112.0861 112.1662 112.4189 112.5123 112.7525 113.0558 113.1276 113.2046 113.5069 113.6388 113.8130 113.9174 113.9598 114.0543 114.2382 114.3772 114.6321 114.7618 114.8526 114.9325 115.1682 115.2970 115.6036 115.7083 115.8046 115.9541 116.1193 116.4572 116.4871 116.7325 116.9087 116.9370 116.9987 117.2700 117.4217 117.7450 117.8878 118.0110 118.2139 118.3296 118.5941 118.6528 118.8033 118.8471 118.9141 119.1195 119.1995 119.3221 119.5975 119.7035 119.7491 120.1001 120.2135 120.2737 120.5899 120.6725 120.8833 121.0527 121.1197 121.2218 121.2583 121.3933 121.6734 121.7058 122.0236 122.1300 122.5086 122.7094 122.7494 122.9605 123.1939 123.7172 123.9567 124.3256 124.5845 124.8779 124.9815 125.6157 125.7472 125.8887 126.5669 126.8484 127.1288 127.2631 127.5966 127.6220 128.1512 128.2576 128.6267 128.9184 129.0536 129.2411 129.6880 129.7154 129.8256 129.9705 130.4510 130.5317 130.6066 130.6657 130.8251 131.0348 131.0670 131.1572 131.8726 132.0203 132.2321 132.3186 132.4404 132.6479 133.1229 133.2318 133.3233 133.5969 134.0187 134.0945 134.5060 134.6785 134.9725 135.1143 135.8245 135.8652 136.0764 136.2918 136.4698 136.5135 136.7038 136.8416 136.9667 137.2251 137.3341 137.6843 138.0280 138.2388 138.4664 138.5390 138.7764 138.9925 139.3504 139.5058 139.5981 140.0300 140.2904 140.3766 140.7349 140.9574 141.2724 141.3818 141.5205 142.0740 142.1839 142.6000 142.8622 143.2870 143.9303 144.1351 144.4086 144.5925 144.7222 145.0564 145.1475 145.6264 145.7620 146.3704 146.3943 146.9045 147.4700 147.9199 148.2333 148.6922 148.8062 149.0412 149.0459 149.3040 149.3486 149.9934 150.0441 150.0874 150.6729 150.8176 150.9857 151.0471 151.4901 151.7321 151.9610 152.0527 152.3339 152.9241 153.0106 153.1141 153.2101 153.3686 153.4338 153.6452 153.9612 154.3002 154.4182 154.7518 154.8471 155.2308 155.5605 155.8166 156.1795 156.3614 156.7406 156.8751 156.9397 157.7483 158.0598 158.2810 158.3766 158.5658 158.7050 158.7611 159.2735 159.3344 159.4462 160.1341 160.5555 160.6622 161.1984 161.3449 161.7631 162.6123 163.1002 165.4387 165.9437 167.8840 168.7490 169.1343 170.5668 171.9668 173.6676 174.1490 177.0665 177.9286 179.4005 181.9819 184.4192 185.1026 185.8535 187.2234 187.8583 188.6540 189.0520 190.2635 191.7801 193.6295 195.5148 195.9366 198.1200 201.2634 202.4794 204.5053 221.2469 222.4347 223.0627 226.4828 228.8714 247.7077 257.7994 262.5281 294.5287 296.4945 311.8258 545.8407 619.8342 622.1073 626.3771 631.4310 631.8647 634.4213 634.6752 635.1275 636.4564 637.1405 637.5506 638.9856 640.0179 640.6648 642.0779 642.8203 643.6094 645.9909 659.3757 710.0109 880.8755 886.9370 1199.1604 1211.3583 -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 -0.045973 -0.045002 -0.283568 -0.375562 -0.141312 -0.195704 -0.097563 -0.128642 -0.142330 -0.132321 -0.142699 -0.079052 -0.136566 -0.285169 0.350091 0.176257 0.248067 0.025031 -0.176161 -0.166284 -0.138382 -0.163479 -0.202056 -0.113640 0.153023 0.062896 0.066243 0.069334 0.063904 0.057811 0.078832 0.059899 0.069963 0.086826 0.077581 0.056412 0.056254 0.131853 0.130501 0.089324 0.077958 0.079040 0.140702 0.157479 0.154039 0.156694 0.155656 0.159797 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 16.0450 8.2836 8.3756 7.1413 7.1957 6.0976 6.1286 6.1423 6.1323 6.1427 6.0791 6.1366 6.2852 5.6499 5.8237 5.7519 5.9750 6.1762 6.1663 6.1384 6.1635 6.2021 6.1136 5.8470 0.9371 0.9338 0.9307 0.9361 0.9422 0.9212 0.9401 0.9300 0.9132 0.9224 0.9436 0.9437 0.8681 0.8695 0.9107 0.9220 0.9210 0.8593 0.8425 0.8460 0.8433 0.8443 0.8402 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 -0.0450 -0.2836 -0.3756 -0.1413 -0.1957 -0.0976 -0.1286 -0.1423 -0.1323 -0.1427 -0.0791 -0.1366 -0.2852 0.3501 0.1763 0.2481 0.0250 -0.1762 -0.1663 -0.1384 -0.1635 -0.2021 -0.1136 0.1530 0.0629 0.0662 0.0693 0.0639 0.0578 0.0788 0.0599 0.0700 0.0868 0.0776 0.0564 0.0563 0.1319 0.1305 0.0893 0.0780 0.0790 0.1407 0.1575 0.1540 0.1567 0.1557 0.1598 1.2565 2.4020 2.1200 2.1266 2.9483 2.9388 3.8650 3.9026 3.8765 3.8956 3.9088 3.8538 3.8773 3.9532 4.2830 3.8713 3.8224 3.5573 3.9819 3.8546 4.0444 3.9342 3.8979 3.8500 4.2087 1.0095 1.0036 1.0112 1.0081 1.0217 1.0124 1.0083 1.0102 1.0120 1.0178 1.0067 1.0059 1.0035 1.0242 1.0035 1.0003 1.0013 1.0174 1.0079 1.0067 0.9926 0.9952 0.9895 1.2565 2.4020 2.1200 2.1266 2.9483 2.9388 3.8650 3.9026 3.8765 3.8956 3.9088 3.8538 3.8773 3.9532 4.2830 3.8713 3.8224 3.5573 3.9819 3.8546 4.0444 3.9342 3.8979 3.8500 4.2087 1.0095 1.0036 1.0112 1.0081 1.0217 1.0124 1.0083 1.0102 1.0120 1.0178 1.0067 1.0059 1.0035 1.0242 1.0035 1.0003 1.0013 1.0174 1.0079 1.0067 0.9926 0.9952 0.9895 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.1371 0.9485 1.2477 1.0432 0.9147 1.9272 1.1695 1.5769 1.5933 0.9252 0.9293 1.0027 1.0028 0.9465 1.0112 1.0110 0.9260 1.0156 1.0003 0.9332 1.0063 1.0059 0.9273 0.9939 1.0153 0.9411 1.0012 0.9979 0.9779 0.9858 1.0006 0.9948 0.9984 1.2421 1.5327 0.9207 1.3673 1.3041 1.4680 0.9846 1.4265 0.9940 1.3260 0.9470 1.3960 0.9832 1.3909 0.9944 0.9825 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 -0.024449710 -1856.356831293555 86.98753 -84.50546 2.48208 19.84526 -19.49523 0.35003 19.42111 -17.79234 1.62877 2.98933 7.59828