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:-6.239,-1.6698,-.4427;.9781,-2.4788,.8586;-1.2029,-1.855,-.2028;-.7809,-.6406,1.6446;-3.4376,.8297,-1.142;-4.6086,.2565,-.9897;3.5275,1.4998,1.145;4.4734,1.0865,.0221;2.4278,.4824,1.4349;5.409,2.2033,-.433;2.957,-.8429,1.9634;6.3505,2.7391,.6434;1.8845,-1.8606,2.3119;7.2994,1.6906,1.2065;-.4527,-1.4851,.8641;-2.3492,-1.1499,-.4511;-2.3121,.1765,-.9044;-1.0579,.9188,-1.1291;-.9085,2.1927,-.5837;-.0377,.3831,-1.9131;-3.5573,-1.7657,-.2873;.2461,2.9219,-.8213;1.1107,1.1223,-2.158;1.2556,2.3906,-1.6132;-4.6688,-.9897,-.5942;3.0586,2.4528,.8791;4.0926,1.6887,2.0633;3.8795,.7586,-.8378;5.0608,.2147,.3238;1.8522,.3147,.5188;1.7323,.9048,2.1654;4.8065,3.0307,-.8223;6.0074,1.8429,-1.2758;3.6535,-1.2916,1.2513;3.5308,-.664,2.8783;6.9366,3.5567,.2153;5.7729,3.1835,1.4585;2.3322,-2.7519,2.7517;1.163,-1.4749,3.0322;7.8893,1.2252,.4139;6.7677,.8945,1.7302;7.9985,2.1326,1.9178;-1.6935,2.6101,.0335;-.1479,-.5959,-2.3616;-3.6397,-2.7847,.0649;.356,3.9077,-.3892;1.8923,.7065,-2.7798;2.1543,2.9634,-1.8026; 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 2497.0897460818 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 6.429e-06 Time for diagonalization 0.433 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 0.647 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:-6.239,-1.6698,-.4427;.9781,-2.4788,.8586;-1.2029,-1.855,-.2028;-.7809,-.6406,1.6446;-3.4376,.8297,-1.142;-4.6086,.2565,-.9897;3.5275,1.4998,1.145;4.4734,1.0865,.0221;2.4278,.4824,1.4349;5.409,2.2033,-.433;2.957,-.8429,1.9634;6.3505,2.7391,.6434;1.8845,-1.8606,2.3119;7.2994,1.6906,1.2065;-.4527,-1.4851,.8641;-2.3492,-1.1499,-.4511;-2.3121,.1765,-.9044;-1.0579,.9188,-1.1291;-.9085,2.1927,-.5837;-.0377,.3831,-1.9131;-3.5573,-1.7657,-.2873;.2461,2.9219,-.8213;1.1107,1.1223,-2.158;1.2556,2.3906,-1.6132;-4.6688,-.9897,-.5942;3.0586,2.4528,.8791;4.0926,1.6887,2.0633;3.8795,.7586,-.8378;5.0608,.2147,.3238;1.8522,.3147,.5188;1.7323,.9047,2.1654;4.8065,3.0307,-.8223;6.0074,1.8429,-1.2758;3.6535,-1.2916,1.2513;3.5308,-.664,2.8783;6.9366,3.5567,.2153;5.7729,3.1835,1.4585;2.3322,-2.7519,2.7517;1.163,-1.4749,3.0322;7.8893,1.2252,.4139;6.7677,.8945,1.7302;7.9985,2.1326,1.9178;-1.6935,2.6101,.0335;-.1479,-.5959,-2.3616;-3.6396,-2.7847,.0649;.356,3.9077,-.3892;1.8923,.7065,-2.7798;2.1543,2.9634,-1.8026; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 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:-6.239,-1.6698,-.4427;.9781,-2.4788,.8586;-1.2029,-1.855,-.2028;-.7809,-.6406,1.6446;-3.4376,.8297,-1.142;-4.6086,.2565,-.9897;3.5275,1.4998,1.145;4.4734,1.0865,.0221;2.4278,.4824,1.4349;5.409,2.2033,-.433;2.957,-.8429,1.9634;6.3505,2.7391,.6434;1.8845,-1.8606,2.3119;7.2994,1.6906,1.2065;-.4527,-1.4851,.8641;-2.3492,-1.1499,-.4511;-2.3121,.1765,-.9044;-1.0579,.9188,-1.1291;-.9085,2.1927,-.5837;-.0377,.3831,-1.9131;-3.5573,-1.7657,-.2873;.2461,2.9219,-.8213;1.1107,1.1223,-2.158;1.2556,2.3906,-1.6132;-4.6688,-.9897,-.5942;3.0586,2.4528,.8791;4.0926,1.6887,2.0633;3.8795,.7586,-.8378;5.0608,.2147,.3238;1.8522,.3147,.5188;1.7323,.9048,2.1654;4.8065,3.0307,-.8223;6.0074,1.8429,-1.2758;3.6535,-1.2916,1.2513;3.5308,-.664,2.8783;6.9366,3.5567,.2153;5.7729,3.1835,1.4585;2.3322,-2.7519,2.7517;1.163,-1.4749,3.0322;7.8893,1.2252,.4139;6.7677,.8945,1.7302;7.9985,2.1326,1.9178;-1.6935,2.6101,.0335;-.1479,-.5959,-2.3616;-3.6397,-2.7847,.0649;.356,3.9077,-.3892;1.8923,.7065,-2.7798;2.1543,2.9634,-1.8026; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl S O N C H 2.3800 2.4900 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2820 GEPOL Volume 2778.5105 GEPOL Surface-area 1535.3582 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 2.8s) Overall time for CPCM initialization 3.0s -1856.32160002 2497.08974608 -4353.41134611 -7506.40694924 3152.99560313 -0.03013867 -3706.92851290 1850.60691287 2.00308801 99.999634619391 99.999634619391 199.999269238781 -138.237931041166 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 -2765.6996 -2421.1346 -525.6673 -523.8193 -393.9459 -393.9090 -284.5051 -282.8110 -282.6515 -281.6212 -280.9422 -280.5163 -280.3343 -279.9523 -279.9242 -279.8294 -279.8065 -279.8004 -279.4431 -279.1731 -279.1212 -279.0981 -279.0820 -279.0439 -278.9374 -260.9780 -219.6693 -199.8159 -199.5786 -199.5636 -163.9879 -163.8725 -163.7669 -34.6655 -32.1815 -31.9152 -28.0304 -27.0925 -26.4289 -25.7536 -25.4545 -25.0242 -24.2405 -23.8013 -23.6718 -23.2864 -22.3540 -21.7614 -21.5016 -20.4832 -19.9255 -19.6191 -19.4818 -19.1759 -18.5268 -18.2209 -17.6258 -17.5071 -17.1383 -16.9125 -16.2800 -15.9740 -15.8320 -15.5743 -15.4895 -15.2384 -15.1415 -14.9138 -14.8981 -14.6211 -14.4087 -14.2684 -14.2298 -14.1169 -13.5358 -13.3822 -13.2304 -12.8457 -12.7944 -12.7618 -12.6450 -12.4580 -12.2725 -11.9991 -11.9363 -11.7693 -11.6262 -11.5771 -11.3854 -11.2559 -11.0596 -10.8911 -10.7325 -10.6794 -10.6156 -10.4206 -9.8288 -9.6843 -9.4240 -9.1813 0.1846 0.4141 1.4746 1.8252 1.9220 2.6219 2.9562 3.2159 3.5374 3.6736 3.7742 4.0228 4.2403 4.3259 4.4724 4.6203 4.7094 4.7723 4.9689 5.0101 5.2114 5.2857 5.3964 5.4246 5.4861 5.6177 5.8059 5.9312 6.0660 6.1722 6.2202 6.3336 6.4810 6.5514 6.6516 6.9479 7.0184 7.0326 7.1052 7.2913 7.4525 7.4909 7.5213 7.7370 7.8892 7.9285 8.0009 8.1462 8.2280 8.3125 8.4915 8.5860 8.6040 8.7906 8.9216 8.9801 9.0365 9.1668 9.2068 9.3173 9.4662 9.6708 9.7123 9.7777 9.8876 10.0187 10.1300 10.1497 10.2529 10.4240 10.5605 10.6090 10.6816 10.8905 10.9692 11.1052 11.1497 11.2660 11.3040 11.4887 11.6348 11.7973 11.8666 11.9342 12.0327 12.0853 12.2669 12.4108 12.5586 12.6846 12.7393 12.8628 12.9224 13.1745 13.1930 13.2371 13.4111 13.4782 13.5973 13.6352 13.7416 13.8350 13.8738 13.9847 14.0495 14.1963 14.2972 14.3169 14.3650 14.4128 14.5621 14.6177 14.7070 14.7986 14.8743 14.9899 15.0555 15.0653 15.2138 15.2202 15.2896 15.3357 15.4895 15.7138 15.7930 15.8879 16.0066 16.1454 16.1622 16.2647 16.2949 16.4575 16.6330 16.6616 16.7388 16.8666 16.9522 16.9909 17.2533 17.3340 17.3517 17.4442 17.7575 17.8936 17.9445 18.1467 18.2007 18.3293 18.4804 18.6085 18.7821 18.8889 18.9991 19.1763 19.2982 19.4011 19.4917 19.5991 19.6979 19.8285 19.9895 20.4093 20.5068 20.5826 20.6472 20.8668 20.9751 21.1069 21.2415 21.4199 21.4294 21.6164 21.6895 21.7538 21.9544 22.0616 22.2833 22.5390 22.6207 22.7414 22.8739 23.0945 23.3487 23.4983 23.6564 23.7091 23.8090 24.0763 24.1413 24.3009 24.3698 24.5246 24.5829 24.7695 24.9267 25.2504 25.3159 25.4032 25.5591 25.6494 25.8211 25.9895 26.0728 26.2778 26.5801 26.6819 26.7862 26.9866 27.1264 27.3183 27.5669 27.5735 27.7188 27.8683 27.9300 28.1028 28.3333 28.4128 28.5559 28.6313 28.8573 29.1357 29.1733 29.4103 29.5621 29.7321 29.8273 30.0010 30.1288 30.3087 30.5151 30.5880 30.8104 30.8869 31.0811 31.1859 31.3111 31.3871 31.7952 31.8034 31.9400 32.0836 32.2329 32.2617 32.2932 32.5337 32.6381 32.8610 32.9817 33.1226 33.2348 33.3542 33.5031 33.6247 33.7460 33.8681 34.0443 34.1154 34.4846 34.5201 34.7354 34.8019 34.9549 35.0871 35.1329 35.5007 35.6578 35.6828 35.9057 35.9393 36.0510 36.1093 36.2778 36.6193 36.6550 36.7541 36.8675 36.9222 37.1932 37.4480 37.6514 37.7910 37.8776 37.9445 38.1465 38.2863 38.4018 38.5518 38.6571 38.7085 38.9981 39.0774 39.3374 39.3927 39.5843 39.6252 39.7026 39.8867 40.0437 40.2929 40.3378 40.6055 40.7752 40.8846 40.9496 41.0332 41.2543 41.4244 41.5802 41.7000 41.8298 42.0234 42.1506 42.2930 42.3188 42.3791 42.5462 42.7250 42.9196 42.9369 43.0743 43.1765 43.2968 43.4685 43.5446 43.7634 43.8916 44.0030 44.1141 44.1895 44.2649 44.4467 44.6285 44.6906 44.9352 44.9478 45.0998 45.2995 45.4631 45.6311 45.9593 46.0012 46.0652 46.2588 46.2846 46.4012 46.5836 46.7243 46.8455 46.8839 47.0576 47.2256 47.4106 47.5176 47.6215 47.7843 48.0481 48.0838 48.2395 48.4069 48.5375 48.6178 48.8506 48.9904 49.0245 49.2739 49.4450 49.6521 49.8353 49.9276 50.0708 50.2639 50.4264 50.6055 50.7095 50.8237 51.0196 51.4298 51.5204 51.6404 51.7499 52.0040 52.1614 52.2279 52.4322 52.5421 52.6923 52.9072 53.2556 53.3976 53.4629 53.8764 53.9515 54.1383 54.2766 54.4266 54.8435 55.0385 55.2799 55.3564 55.5667 55.7435 56.1153 56.4606 56.5289 56.7953 57.2172 57.4091 57.6256 57.8302 58.0723 58.5130 58.6026 58.9631 59.0633 59.1155 59.2505 59.4776 59.7347 59.8449 59.9653 60.1302 60.1781 60.4077 60.4806 60.7472 60.9067 61.1675 61.3140 61.3854 61.7099 61.9221 62.1903 62.4709 62.6040 62.8218 62.9405 63.0913 63.3095 63.4541 63.9184 64.1042 64.3472 64.5559 64.9779 65.2149 65.3791 65.4971 65.5750 65.7553 65.9540 66.0766 66.4947 66.6256 66.6771 66.9397 67.0654 67.4495 67.6793 68.0311 68.0711 68.4985 68.6581 69.1898 69.4459 70.0225 70.2719 70.7207 70.8841 70.9702 71.2168 71.3870 71.5951 71.8421 72.1789 72.2683 72.6604 72.8481 73.0786 73.3775 73.4455 73.5772 73.7482 74.1745 74.2429 74.4138 74.4885 74.7700 75.0258 75.0786 75.3140 75.5316 75.6914 75.9198 75.9490 76.1806 76.6325 76.7880 76.9355 77.1335 77.2645 77.5324 77.6301 77.9166 77.9831 78.0862 78.4154 78.5449 78.9004 79.2208 79.5065 79.5421 79.7568 79.9240 80.0195 80.1827 80.2195 80.3961 80.5793 80.9729 81.1170 81.1725 81.5133 81.5550 81.7324 81.9507 82.0240 82.2608 82.3109 82.6280 82.7422 83.0395 83.0795 83.3168 83.3644 83.6156 83.6993 83.7959 83.9910 84.0618 84.2429 84.2767 84.4981 84.5581 84.7688 84.8489 84.9987 85.1243 85.2758 85.3542 85.5993 85.7813 85.8716 85.9785 86.1448 86.2212 86.3817 86.5079 86.7248 86.7655 86.9027 86.9958 87.0962 87.1965 87.3195 87.5006 87.5699 87.7602 87.8045 87.8493 88.0845 88.1624 88.2670 88.4143 88.5553 88.7393 88.7875 88.9087 89.1003 89.2826 89.2912 89.3791 89.5942 89.6779 89.7516 89.8668 89.9784 90.1037 90.2845 90.5104 90.5393 90.6169 90.6363 90.8936 91.0065 91.1198 91.4492 91.4644 91.6526 91.7053 91.8063 91.9361 92.1598 92.3045 92.4603 92.4852 92.6263 92.7729 92.8648 93.0439 93.2773 93.3290 93.4129 93.6500 93.8740 93.9793 94.1522 94.3350 94.5426 94.6020 94.8359 94.9529 95.0358 95.0779 95.1240 95.3901 95.5326 95.6610 95.7800 95.8949 96.0701 96.2094 96.3636 96.4453 96.7479 96.9955 97.3044 97.4746 97.5011 97.5389 97.8394 97.8825 97.9776 98.0497 98.3309 98.5505 98.6633 98.7852 98.8432 99.2198 99.2485 99.4871 99.6380 99.7791 99.9517 100.2397 100.5890 100.6326 100.7768 101.1692 101.3400 101.4629 101.4897 101.6694 101.8631 101.9079 102.0326 102.0695 102.2356 102.4052 102.5790 102.8146 102.8922 103.1287 103.1740 103.3761 103.5779 103.6268 103.9577 104.0862 104.1861 104.3720 104.6881 104.8075 104.9248 105.2553 105.3775 105.4917 105.7445 105.8033 105.9026 105.9822 106.2807 106.3746 106.5827 106.8595 107.1248 107.2625 107.5991 107.6541 107.7282 107.9528 108.0021 108.4970 108.6220 108.7858 108.8285 108.9324 109.0116 109.1439 109.2230 109.6632 109.8117 109.9772 110.0352 110.2478 110.3504 110.4702 110.5857 110.7317 110.9178 111.1240 111.2444 111.3868 111.5034 111.6519 111.7207 111.8098 112.1604 112.3346 112.4999 112.7660 113.0536 113.1708 113.2527 113.4082 113.6922 113.8510 113.9674 114.0573 114.2245 114.3163 114.4593 114.6383 114.8847 115.0211 115.2055 115.2589 115.3216 115.5356 115.6188 115.7857 116.2788 116.3191 116.5262 116.7612 116.7996 116.9168 117.0569 117.3499 117.3880 117.5094 117.6514 117.8795 118.0288 118.2158 118.5181 118.6654 118.7455 118.9256 119.0243 119.1821 119.2585 119.4608 119.5614 119.6396 119.8414 119.9724 120.0438 120.2344 120.5692 120.7022 120.9030 120.9613 121.1395 121.2128 121.3409 121.4067 121.7060 121.8128 122.0787 122.2575 122.4170 122.5798 122.7161 122.8220 122.9209 123.2022 123.5939 123.8282 124.3737 124.5068 124.8353 125.0946 125.4148 125.7897 125.9864 126.4242 126.6411 126.8342 127.3363 127.6732 127.9289 128.2503 128.2726 128.2883 128.7633 128.8399 129.1150 129.4527 129.6072 129.7898 129.9682 130.1337 130.3014 130.4624 130.4785 130.7083 130.8711 130.9304 131.1394 131.2966 131.6955 131.9239 131.9641 132.2487 132.4401 132.5611 132.7936 133.2129 133.2777 133.4129 133.9368 134.2877 134.5673 134.6891 134.9852 135.2513 135.2954 135.5345 135.9810 136.0719 136.1174 136.5830 136.8529 137.0100 137.0646 137.3064 137.5140 137.6454 138.1827 138.3978 138.5320 138.8665 139.1045 139.1417 139.5082 139.5658 139.5953 140.1390 140.1577 140.3025 140.5166 140.7806 141.0446 141.4231 141.4748 142.0893 142.3277 142.5776 142.7526 143.2087 143.3352 143.6130 143.9679 144.2259 144.5948 144.7575 145.2106 145.2539 145.7119 145.9753 146.4935 146.8322 147.4971 147.6456 147.9903 148.4443 148.8129 148.8748 148.9449 149.2568 149.4135 149.6216 150.1690 150.1957 150.4989 150.7292 150.9709 151.2980 151.4616 151.5365 151.6513 151.8489 152.1023 152.6539 152.7705 153.1185 153.2383 153.3216 153.7926 153.9008 154.1133 154.3488 154.6620 154.9705 154.9929 155.1725 155.2876 155.8060 156.1855 156.1868 156.7403 156.8575 157.0504 157.5769 157.8888 158.3012 158.4200 158.4515 158.8739 159.1704 159.3138 159.5065 159.9128 159.9999 160.3095 160.6250 160.6601 161.1109 161.7315 162.0208 163.1101 163.5830 165.1076 166.0025 167.9136 168.8581 169.0435 170.3540 172.1857 173.6299 174.2559 177.0015 177.8949 179.2680 182.2238 184.4575 185.0148 185.7874 186.9414 187.7743 188.2599 189.0301 190.2811 191.7233 193.8709 195.2679 195.8743 198.0538 200.9286 202.1292 204.5360 221.2265 222.4284 223.0519 226.4802 228.8639 246.9889 257.3041 262.7861 294.5116 296.4823 311.8410 545.7209 619.8360 623.5435 626.4467 631.4894 632.0362 634.3600 634.5409 635.1817 636.5184 637.7780 638.7152 639.6723 640.5697 642.6217 643.1904 643.6942 645.2171 647.0895 659.5230 710.1925 880.8149 886.9273 1198.9671 1211.2312 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 -0.045614 -0.046519 -0.286456 -0.400307 -0.149804 -0.199578 -0.153131 -0.158151 -0.077069 -0.144995 -0.122572 -0.113768 -0.116221 -0.278061 0.358556 0.168404 0.256990 0.022664 -0.175228 -0.165993 -0.123862 -0.173876 -0.168243 -0.136931 0.151658 0.080964 0.084331 0.080884 0.082176 -0.014239 0.088253 0.066121 0.075586 0.077907 0.081237 0.071218 0.062262 0.135241 0.114860 0.081490 0.078546 0.093219 0.143925 0.153684 0.156512 0.157991 0.157812 0.168124 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 17.0456 16.0465 8.2865 8.4003 7.1498 7.1996 6.1531 6.1582 6.0771 6.1450 6.1226 6.1138 6.1162 6.2781 5.6414 5.8316 5.7430 5.9773 6.1752 6.1660 6.1239 6.1739 6.1682 6.1369 5.8483 0.9190 0.9157 0.9191 0.9178 1.0142 0.9117 0.9339 0.9244 0.9221 0.9188 0.9288 0.9377 0.8648 0.8851 0.9185 0.9215 0.9068 0.8561 0.8463 0.8435 0.8420 0.8422 0.8319 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 -0.0456 -0.0465 -0.2865 -0.4003 -0.1498 -0.1996 -0.1531 -0.1582 -0.0771 -0.1450 -0.1226 -0.1138 -0.1162 -0.2781 0.3586 0.1684 0.2570 0.0227 -0.1752 -0.1660 -0.1239 -0.1739 -0.1682 -0.1369 0.1517 0.0810 0.0843 0.0809 0.0822 -0.0142 0.0883 0.0661 0.0756 0.0779 0.0812 0.0712 0.0623 0.1352 0.1149 0.0815 0.0785 0.0932 0.1439 0.1537 0.1565 0.1580 0.1578 0.1681 1.2577 2.4074 2.1178 2.0937 2.9509 2.9354 3.8940 3.8457 3.8723 3.8995 3.9096 3.8737 3.8841 3.9277 4.2719 3.8682 3.8045 3.5621 3.9641 3.8574 4.0495 3.9041 3.8522 3.8137 4.2129 1.0075 1.0080 1.0128 1.0036 1.0416 1.0130 1.0152 1.0075 1.0115 1.0112 1.0080 1.0040 1.0064 1.0285 1.0011 0.9971 1.0048 1.0151 1.0080 1.0051 0.9950 0.9952 0.9847 1.2577 2.4074 2.1178 2.0937 2.9509 2.9354 3.8940 3.8457 3.8723 3.8995 3.9096 3.8737 3.8841 3.9277 4.2719 3.8682 3.8045 3.5621 3.9641 3.8574 4.0495 3.9041 3.8522 3.8137 4.2129 1.0075 1.0080 1.0128 1.0036 1.0416 1.0130 1.0152 1.0075 1.0115 1.0112 1.0080 1.0040 1.0064 1.0285 1.0011 0.9971 1.0048 1.0151 1.0080 1.0051 0.9950 0.9952 0.9847 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 1.1416 0.9331 1.2678 1.0485 0.9009 1.8928 1.1669 1.5772 1.5971 0.8998 0.9517 1.0131 1.0050 0.9302 1.0101 1.0054 0.9347 0.9912 0.9979 0.9393 1.0093 1.0154 0.9389 1.0105 0.9920 0.9317 1.0076 1.0042 0.9862 0.9873 0.9933 0.9913 0.9978 1.2403 1.5433 0.9208 1.3611 1.3083 1.4593 0.9885 1.4227 1.0027 1.3217 0.9473 1.3771 0.9933 1.3594 1.0019 0.9833 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 -0.027678286 -1856.349278310788 78.99939 -76.30623 2.69316 23.67912 -25.15117 -1.47205 11.24909 -10.56950 0.67960 3.14355 7.99026