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:-6.1426,-1.7489,-1.2941;.5874,-2.2288,1.8675;-1.6491,-1.4883,.9857;-.1681,-1.9049,-.6561;-3.2111,.694,-1.4374;-4.3512,.0784,-1.6416;4.6719,.1664,-.5618;4.9246,1.2171,.5131;4.1288,-1.1585,-.0338;5.5374,2.4941,-.0491;2.7595,-1.0259,.6239;5.8425,3.5583,1.0013;2.1893,-2.3764,1.0214;4.6083,4.1403,1.676;-.4351,-1.8519,.5062;-2.5538,-.9736,.103;-2.3146,.2274,-.585;-1.0749,1.0131,-.4315;-.5809,1.3481,.8284;-.3925,1.4371,-1.5705;-3.7388,-1.6262,-.0897;.5809,2.0981,.9431;.7734,2.1767,-1.4503;1.2618,2.5098,-.1937;-4.6145,-1.0233,-.986;5.6072,-.0267,-1.0968;3.976,.5683,-1.3068;5.5921,.8012,1.277;3.9879,1.4535,1.0252;4.8397,-1.5895,.6792;4.0599,-1.8684,-.8637;4.8673,2.916,-.8073;6.4632,2.2403,-.5756;2.8238,-.3961,1.5135;2.078,-.5233,-.0671;6.5094,3.1368,1.7604;6.4019,4.3706,.5289;2.0802,-3.0519,.1726;2.8327,-2.8758,1.7487;3.9313,4.5874,.9443;4.881,4.9237,2.3852;4.0451,3.3886,2.2313;-1.1117,1.0515,1.7243;-.7664,1.1747,-2.5518;-3.9712,-2.5534,.4167;.953,2.3624,1.9246;1.3023,2.4933,-2.34;2.1706,3.0914,-.1016; 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 2490.3569776342 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 6.018e-06 Time for diagonalization 0.431 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 0.645 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:-6.1426,-1.7489,-1.2941;.5874,-2.2288,1.8675;-1.6491,-1.4883,.9857;-.1681,-1.9049,-.6561;-3.2111,.694,-1.4374;-4.3512,.0784,-1.6416;4.6719,.1664,-.5618;4.9246,1.2171,.5131;4.1288,-1.1585,-.0338;5.5374,2.4941,-.0491;2.7595,-1.0259,.6239;5.8425,3.5583,1.0013;2.1893,-2.3764,1.0214;4.6083,4.1403,1.676;-.4351,-1.8519,.5062;-2.5538,-.9736,.103;-2.3146,.2274,-.585;-1.0749,1.0131,-.4315;-.5809,1.3481,.8284;-.3925,1.4371,-1.5705;-3.7388,-1.6262,-.0897;.5809,2.0981,.9431;.7734,2.1767,-1.4503;1.2618,2.5098,-.1937;-4.6145,-1.0233,-.986;5.6072,-.0267,-1.0968;3.976,.5683,-1.3068;5.5921,.8012,1.277;3.9879,1.4535,1.0252;4.8397,-1.5895,.6792;4.0599,-1.8684,-.8637;4.8673,2.916,-.8073;6.4632,2.2403,-.5756;2.8238,-.3961,1.5135;2.078,-.5233,-.0671;6.5094,3.1368,1.7604;6.4019,4.3706,.5289;2.0802,-3.0519,.1726;2.8327,-2.8758,1.7487;3.9313,4.5874,.9443;4.881,4.9237,2.3852;4.0451,3.3886,2.2313;-1.1117,1.0515,1.7243;-.7664,1.1747,-2.5518;-3.9712,-2.5534,.4167;.953,2.3624,1.9246;1.3023,2.4933,-2.34;2.1706,3.0914,-.1016; 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:-6.1426,-1.7489,-1.2941;.5874,-2.2288,1.8675;-1.6491,-1.4883,.9857;-.1681,-1.9049,-.6561;-3.2111,.694,-1.4374;-4.3512,.0784,-1.6416;4.6719,.1664,-.5618;4.9246,1.2171,.5131;4.1288,-1.1585,-.0338;5.5374,2.4941,-.0491;2.7595,-1.0259,.6239;5.8425,3.5583,1.0013;2.1893,-2.3764,1.0214;4.6083,4.1403,1.676;-.4351,-1.8519,.5062;-2.5538,-.9736,.103;-2.3146,.2274,-.585;-1.0749,1.0131,-.4315;-.5809,1.3481,.8284;-.3925,1.4371,-1.5705;-3.7388,-1.6262,-.0897;.5809,2.0981,.9431;.7734,2.1767,-1.4503;1.2618,2.5098,-.1937;-4.6145,-1.0233,-.986;5.6072,-.0267,-1.0968;3.976,.5683,-1.3068;5.5921,.8012,1.277;3.9879,1.4535,1.0252;4.8397,-1.5895,.6792;4.0599,-1.8684,-.8637;4.8673,2.916,-.8073;6.4632,2.2403,-.5756;2.8238,-.3961,1.5135;2.078,-.5233,-.0671;6.5094,3.1368,1.7604;6.4019,4.3706,.5289;2.0802,-3.0519,.1726;2.8327,-2.8758,1.7487;3.9313,4.5874,.9443;4.881,4.9237,2.3852;4.0451,3.3886,2.2313;-1.1117,1.0515,1.7243;-.7664,1.1747,-2.5518;-3.9712,-2.5534,.4167;.953,2.3624,1.9246;1.3023,2.4933,-2.34;2.1706,3.0914,-.1016; 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 2809 GEPOL Volume 2782.5558 GEPOL Surface-area 1542.5452 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1856.33261071 2490.35697763 -4346.68958835 -7492.64108923 3145.95150089 -0.02499987 -3706.93982810 1850.60721739 2.00309379 100.000150049269 100.000150049269 200.000300098538 -138.234549863628 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 -2421.1347 -525.6804 -523.7920 -393.9122 -393.8639 -284.4584 -282.7964 -282.6656 -281.6102 -280.9437 -280.5547 -280.3446 -279.9711 -279.9221 -279.8475 -279.8306 -279.8185 -279.4552 -279.2783 -279.1856 -279.1778 -279.1248 -279.0966 -278.9864 -260.9533 -219.6696 -199.7914 -199.5540 -199.5390 -163.9900 -163.8733 -163.7653 -34.6958 -32.1854 -31.8980 -27.9992 -27.0860 -26.4289 -25.7692 -25.4479 -25.0633 -24.3358 -23.8118 -23.6842 -23.3346 -22.4005 -21.7381 -21.4685 -20.4557 -19.9111 -19.6112 -19.5054 -19.1346 -18.4455 -18.2066 -18.1431 -17.5056 -17.0985 -16.8548 -16.2702 -15.9482 -15.8844 -15.5963 -15.5347 -15.3447 -15.1403 -14.9021 -14.8200 -14.4481 -14.4038 -14.2973 -14.2309 -14.1598 -13.6284 -13.4249 -13.2506 -12.9438 -12.7858 -12.7550 -12.5274 -12.4699 -12.3187 -12.1108 -12.0127 -11.7909 -11.6805 -11.6111 -11.3852 -11.2152 -11.0144 -10.9865 -10.8525 -10.7242 -10.6013 -10.4189 -9.7725 -9.7395 -9.3913 -9.1610 0.2053 0.3965 1.4116 1.8449 1.9200 2.5971 2.9600 3.1539 3.5826 3.6799 3.7417 3.8980 4.2147 4.3626 4.4084 4.5425 4.6067 4.6979 4.9680 5.0531 5.1399 5.2066 5.3800 5.4820 5.5743 5.6897 5.7985 5.9256 5.9638 6.0617 6.1320 6.2744 6.3820 6.5052 6.6759 6.7925 6.9656 7.0179 7.2527 7.3792 7.4084 7.4692 7.5914 7.7415 7.8362 8.0321 8.1090 8.1807 8.1987 8.2926 8.4677 8.5954 8.6559 8.7597 8.8032 8.8547 9.0309 9.0923 9.1634 9.3287 9.3819 9.4545 9.6827 9.7971 9.9360 10.1279 10.2017 10.2250 10.3254 10.4431 10.5654 10.6636 10.8281 10.9538 11.0393 11.0988 11.1909 11.2105 11.3881 11.5279 11.5964 11.7185 11.8120 11.9312 11.9939 12.2023 12.2436 12.3506 12.5188 12.5701 12.6849 12.7453 12.8351 13.0190 13.0739 13.1426 13.3937 13.4911 13.5249 13.6195 13.6969 13.7584 13.9952 14.1070 14.1234 14.2793 14.3265 14.3758 14.4494 14.5197 14.6636 14.7721 14.8052 14.8521 14.9209 14.9615 15.0437 15.1806 15.2399 15.2760 15.4115 15.4971 15.5435 15.6803 15.7844 15.8225 15.9360 16.0162 16.0771 16.1689 16.3357 16.5054 16.6321 16.7813 16.8349 16.9162 17.0138 17.0578 17.1410 17.1974 17.4913 17.5623 17.7663 17.8289 17.9490 18.0202 18.2478 18.4117 18.5600 18.7232 18.7356 18.8802 18.9817 19.2208 19.2549 19.3587 19.7209 19.7641 19.8358 20.1004 20.1856 20.2658 20.3857 20.6094 20.7410 20.7981 20.9141 21.0403 21.2477 21.3971 21.5187 21.6277 21.7363 22.0488 22.1341 22.1735 22.3478 22.4180 22.7124 22.7429 22.8439 22.9128 22.9671 23.0593 23.4199 23.4275 23.5446 23.8368 23.9694 24.0151 24.2067 24.4087 24.4690 24.5926 24.7559 24.8261 25.2635 25.3434 25.4866 25.8062 25.9724 26.0564 26.3095 26.3346 26.5416 26.6491 26.6926 26.7733 27.0927 27.2505 27.3567 27.5351 27.5824 27.7634 28.0616 28.1584 28.2816 28.6000 28.6097 28.7061 28.8467 28.9493 29.0116 29.1767 29.4559 29.6410 29.7905 30.0064 30.3130 30.4250 30.4500 30.7528 30.8326 30.8943 31.0093 31.1399 31.4690 31.6299 31.6566 31.7241 31.8924 31.9189 32.2036 32.2390 32.4192 32.5640 32.6246 32.7165 32.9783 33.0861 33.2420 33.4391 33.5251 33.6289 33.7166 33.8313 34.0514 34.2156 34.4322 34.5403 34.6754 34.7068 34.8980 35.0119 35.0386 35.2104 35.3722 35.5173 35.7042 35.7892 36.0419 36.1679 36.1832 36.3718 36.6025 36.8192 36.8981 36.9701 37.2059 37.2514 37.3528 37.4915 37.6173 37.7949 38.0050 38.1666 38.2578 38.4146 38.5408 38.6265 38.7948 38.9070 39.1180 39.1617 39.2345 39.4242 39.4948 39.7087 39.8712 40.0718 40.1710 40.3039 40.6047 40.7540 40.8313 40.9744 41.1812 41.3538 41.3948 41.5974 41.7161 41.9523 41.9827 42.1479 42.4166 42.4603 42.5357 42.6761 42.7449 42.8663 43.0011 43.0891 43.2628 43.4004 43.5285 43.5843 43.8000 43.8982 44.0818 44.1749 44.2630 44.3436 44.4680 44.5617 44.7243 44.9436 45.1014 45.2197 45.2667 45.4858 45.5618 45.6842 45.8798 46.0371 46.0988 46.2630 46.4752 46.6205 46.7101 46.8647 46.9642 47.0616 47.2571 47.3705 47.4348 47.6570 47.7782 47.9518 48.0068 48.1346 48.3440 48.4527 48.6695 48.7263 49.0405 49.0866 49.3927 49.4901 49.7868 49.9468 50.0483 50.1364 50.4809 50.6727 50.7943 51.0680 51.2272 51.3463 51.4207 51.5863 51.6301 51.8561 51.9855 52.0682 52.2768 52.5209 52.7415 52.8318 53.0286 53.1511 53.4182 53.5906 53.7991 53.9989 54.1659 54.4363 54.5628 54.6397 55.1010 55.2331 55.3857 55.6765 55.8982 56.1569 56.1803 56.7469 56.8342 57.1512 57.4173 57.6451 57.9849 58.3289 58.5670 58.7242 58.9926 59.1344 59.2476 59.5144 59.6294 59.6832 59.8833 60.1358 60.3077 60.4928 60.7969 60.8962 61.0553 61.1857 61.2162 61.2341 61.6795 61.9870 62.2248 62.2329 62.6020 62.6747 62.7179 62.9223 63.2123 63.3691 63.4595 63.8543 63.9947 64.4601 64.8665 65.0197 65.0878 65.4167 65.5293 65.7906 65.8233 65.8759 66.1842 66.4270 66.5733 66.7604 67.0817 67.3631 67.6004 68.0171 68.2846 68.5150 68.6776 69.0974 69.3386 69.7481 69.9497 70.1759 70.4981 71.1200 71.1811 71.4171 71.5718 72.0449 72.1721 72.3481 72.5640 72.8865 73.1342 73.2609 73.5939 73.7068 73.8938 74.2726 74.3416 74.5752 74.6779 74.8526 74.9843 75.1145 75.4770 75.6320 75.8223 76.0469 76.2003 76.3154 76.5636 76.7805 77.0483 77.2798 77.4026 77.4305 77.5722 77.9035 78.1295 78.2933 78.3449 78.7619 79.1208 79.2298 79.4433 79.6224 79.8086 79.9827 80.1420 80.2467 80.2580 80.3802 80.5297 80.7865 80.9324 81.1011 81.3273 81.5927 81.6782 81.8290 82.0333 82.1743 82.4516 82.5217 82.7702 82.8597 82.9930 83.1675 83.3904 83.4582 83.6505 83.8822 84.0038 84.0665 84.2499 84.3393 84.4977 84.5675 84.6753 84.7740 84.9873 85.1810 85.2709 85.4124 85.6566 85.8107 85.9033 85.9450 86.0669 86.1995 86.3038 86.3487 86.4748 86.5625 86.7290 86.9130 86.9355 87.1968 87.3449 87.4321 87.6586 87.7441 87.8747 87.9893 88.0753 88.1715 88.3027 88.3552 88.5461 88.6358 88.7093 88.8455 89.0318 89.1080 89.1833 89.3978 89.4767 89.7021 89.8005 89.8561 90.0275 90.0946 90.1411 90.2846 90.3654 90.5154 90.7203 90.9654 90.9883 91.1434 91.2216 91.3980 91.5386 91.5848 91.6203 91.7875 91.8210 91.9328 92.1725 92.2608 92.2838 92.4794 92.6415 92.8017 92.9343 93.0040 93.0591 93.2488 93.4298 93.5201 93.7245 93.8148 94.0754 94.2225 94.3734 94.6343 94.8876 95.0056 95.1010 95.2226 95.3509 95.4840 95.5886 95.6550 95.9902 96.1605 96.2247 96.2554 96.4848 96.7996 97.0820 97.3892 97.5015 97.6224 97.7147 97.8187 98.0871 98.1803 98.4150 98.5516 98.6717 98.9324 98.9770 99.1165 99.5015 99.5620 99.7943 99.9148 100.1093 100.3018 100.3683 100.5411 100.7140 100.8939 101.0386 101.1852 101.2350 101.4789 101.5695 101.8934 101.9562 102.1398 102.1545 102.2622 102.4191 102.6959 102.8713 103.0549 103.1522 103.3538 103.6100 103.7597 103.9226 104.0955 104.3555 104.4621 104.5865 104.9385 105.1295 105.2696 105.3365 105.4911 105.8031 105.9218 106.0914 106.3385 106.3987 106.6086 106.9429 107.0288 107.2499 107.3386 107.5962 107.8436 108.0472 108.1924 108.2632 108.3747 108.4223 108.7657 108.9032 108.9605 109.0719 109.2713 109.4126 109.5338 109.6535 109.7098 109.8451 110.0590 110.1618 110.4800 110.6443 110.7780 110.8901 110.9718 111.1930 111.3494 111.5433 111.5924 111.8691 111.9542 112.1763 112.3571 112.5043 112.6214 112.6557 112.7787 112.8417 113.0335 113.2061 113.3604 113.6805 113.7949 113.9629 114.1603 114.4912 114.6097 114.8369 115.0471 115.1105 115.3234 115.3734 115.5600 115.6707 115.7793 115.9128 116.0673 116.1816 116.2884 116.6402 116.8300 116.8483 117.0336 117.1264 117.3019 117.5637 117.7921 117.9974 118.0620 118.0930 118.4403 118.5664 118.6927 118.8764 118.9734 119.0306 119.3291 119.3577 119.5343 119.7571 119.8053 119.8581 120.0250 120.3575 120.3908 120.7113 120.7207 120.8130 121.0794 121.1321 121.2579 121.5093 121.6389 121.8215 121.9737 122.3834 122.5375 122.5994 122.7509 122.8559 122.9298 123.3660 123.8550 124.0171 124.0879 124.3562 124.8271 125.0204 125.2532 125.6243 125.8546 126.4083 126.9712 127.1653 127.2913 127.5173 127.5591 127.8381 128.1425 128.3432 128.5512 129.0524 129.1445 129.6435 129.6710 129.8938 130.1215 130.4223 130.5789 130.6615 130.8436 130.8898 131.1392 131.3716 131.5468 131.7039 131.8922 132.0059 132.3669 132.5491 132.6849 132.7859 132.9489 133.1835 133.5288 133.6851 134.3828 134.4386 134.5541 134.7466 135.0769 135.3568 135.5494 136.0354 136.0643 136.1055 136.3470 136.4891 136.5689 136.9232 137.1421 137.2002 137.4774 137.7282 138.1276 138.1520 138.7370 139.0424 139.1467 139.3110 139.7088 139.9700 140.2200 140.4055 140.5939 140.7826 140.8506 141.3367 141.4598 141.8112 142.1986 142.3237 142.7324 142.8769 142.8909 143.4547 143.9141 144.1166 144.2724 144.6519 144.8849 145.1737 145.4404 145.6323 146.0623 146.1892 146.8828 147.5655 147.9179 148.6784 148.6999 148.9049 149.0820 149.2128 149.3593 149.4710 149.6773 149.8256 150.1224 150.5566 150.7526 151.0304 151.1989 151.4113 151.6758 151.9412 151.9823 152.3226 152.7054 152.8612 152.9966 153.1745 153.4140 153.5429 154.0516 154.2304 154.3701 154.4549 154.6146 154.7025 155.2701 155.4648 155.8870 156.2413 156.4241 156.6273 156.8091 156.9870 157.1065 157.7743 158.1057 158.1933 158.4406 158.5120 158.7029 159.3192 159.5104 159.7346 159.9573 160.1433 160.3583 160.6941 161.1555 161.8390 162.2509 163.0193 163.1963 165.3068 165.9377 167.8675 168.9112 169.1814 170.5338 172.1920 173.6893 174.2608 177.1107 177.9259 179.3897 182.0058 184.4661 185.0927 185.8132 187.2711 187.7841 188.4198 189.1448 189.8051 191.6849 193.6501 195.4971 195.9482 198.0865 201.1620 202.4878 204.4425 221.2492 222.4414 223.0659 226.4920 228.8602 247.1701 258.2402 262.6433 294.5303 296.4901 311.8247 545.4921 619.8284 622.5368 626.4289 631.3262 632.0459 634.3991 634.6817 635.1766 636.6360 637.6275 637.9701 639.4771 640.0182 641.1240 642.7085 643.2250 643.6426 646.7882 659.5525 709.9722 880.8856 886.9582 1199.1125 1211.2934 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 -0.046029 -0.044149 -0.284897 -0.373919 -0.140780 -0.196542 -0.122301 -0.122783 -0.140758 -0.130156 -0.115079 -0.092787 -0.114519 -0.296077 0.344421 0.169871 0.246805 0.015129 -0.147905 -0.150649 -0.138521 -0.200346 -0.183095 -0.118648 0.152795 0.078417 0.062726 0.073873 0.042122 0.071287 0.080041 0.063636 0.073521 0.077756 0.049591 0.052907 0.069722 0.118698 0.130087 0.080169 0.099882 0.081180 0.156386 0.140880 0.154438 0.152236 0.153797 0.167569 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 16.0441 8.2849 8.3739 7.1408 7.1965 6.1223 6.1228 6.1408 6.1302 6.1151 6.0928 6.1145 6.2961 5.6556 5.8301 5.7532 5.9849 6.1479 6.1506 6.1385 6.2003 6.1831 6.1186 5.8472 0.9216 0.9373 0.9261 0.9579 0.9287 0.9200 0.9364 0.9265 0.9222 0.9504 0.9471 0.9303 0.8813 0.8699 0.9198 0.9001 0.9188 0.8436 0.8591 0.8456 0.8478 0.8462 0.8324 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 -0.0441 -0.2849 -0.3739 -0.1408 -0.1965 -0.1223 -0.1228 -0.1408 -0.1302 -0.1151 -0.0928 -0.1145 -0.2961 0.3444 0.1699 0.2468 0.0151 -0.1479 -0.1506 -0.1385 -0.2003 -0.1831 -0.1186 0.1528 0.0784 0.0627 0.0739 0.0421 0.0713 0.0800 0.0636 0.0735 0.0778 0.0496 0.0529 0.0697 0.1187 0.1301 0.0802 0.0999 0.0812 0.1564 0.1409 0.1544 0.1522 0.1538 0.1676 1.2563 2.4091 2.1193 2.1276 2.9501 2.9386 3.8774 3.8561 3.9260 3.8804 3.8623 3.8804 3.9147 3.9345 4.2891 3.8775 3.8221 3.5534 3.8513 3.9640 4.0452 3.8916 3.9422 3.7957 4.2095 1.0135 1.0114 1.0132 1.0030 1.0092 1.0105 1.0077 1.0133 1.0104 1.0235 1.0088 1.0073 1.0244 1.0081 0.9990 1.0060 0.9962 1.0069 1.0160 1.0064 0.9979 0.9969 0.9750 1.2563 2.4091 2.1193 2.1276 2.9501 2.9386 3.8774 3.8561 3.9260 3.8804 3.8623 3.8804 3.9147 3.9345 4.2891 3.8775 3.8221 3.5534 3.8513 3.9640 4.0452 3.8916 3.9422 3.7957 4.2095 1.0135 1.0114 1.0132 1.0030 1.0092 1.0105 1.0077 1.0133 1.0104 1.0235 1.0088 1.0073 1.0244 1.0081 0.9990 1.0060 0.9962 1.0069 1.0160 1.0064 0.9979 0.9969 0.9750 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 1.1369 0.9595 1.2498 1.0444 0.9124 1.9302 1.1684 1.5805 1.5948 0.9171 0.9391 1.0076 1.0176 0.9247 0.9952 1.0169 0.9283 1.0108 1.0100 0.9400 1.0144 1.0039 0.9371 0.9860 1.0031 0.9285 1.0075 1.0094 1.0076 0.9775 0.9926 0.9969 0.9947 1.2423 1.5360 0.9208 1.2966 1.3640 1.4343 0.9987 1.4646 0.9868 1.3249 0.9473 1.3661 1.0044 1.3812 0.9938 0.9772 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 -0.027440171 -1856.360050882101 77.20147 -74.95004 2.25143 26.59804 -27.45429 -0.85625 9.75764 -7.99056 1.76708 2.98742 7.59342