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:-6.314,-1.4536,-.1974;.9592,-2.7838,.2103;-1.3006,-1.894,-.4065;-.4966,-.9595,1.48;-3.4382,1.022,-.6106;-4.6244,.4776,-.4803;4.9052,.5022,1.5601;4.2035,1.8058,1.2007;3.961,-.585,2.0649;5.155,2.9317,.806;2.9153,-.9919,1.0318;6.0204,2.6453,-.4195;2.1657,-2.2424,1.4555;5.2222,2.3707,-1.6861;-.3691,-1.7135,.5614;-2.4096,-1.0943,-.4101;-2.3328,.2943,-.5975;-1.0641,1.0253,-.7707;-.8433,2.1895,-.0364;-.0955,.5904,-1.6741;-3.6364,-1.682,-.2766;.3303,2.9076,-.2014;1.0767,1.3147,-1.8379;1.292,2.4731,-1.104;-4.7233,-.8197,-.3354;5.662,.7012,2.3256;5.4473,.1172,.6905;3.6067,2.1357,2.0576;3.487,1.6311,.3938;3.4606,-.2488,2.9783;4.5502,-1.4638,2.3436;5.8065,3.1623,1.6549;4.5702,3.8384,.6196;2.2073,-.1761,.8685;3.4046,-1.1781,.0711;6.6748,3.5046,-.5891;6.6867,1.8018,-.2189;2.8465,-3.0891,1.5572;1.6576,-2.1236,2.4129;4.5488,3.1996,-1.9165;4.6145,1.4678,-1.6017;5.8802,2.2368,-2.5459;-1.587,2.53,.6724;-.2589,-.2959,-2.2738;-3.7457,-2.7475,-.128;.4941,3.8079,.3761;1.8205,.9755,-2.5468;2.2054,3.0385,-1.237; 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 2489.9479684150 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 6.153e-06 Time for diagonalization 0.427 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.258 sec Total time needed 0.691 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:-6.314,-1.4536,-.1974;.9592,-2.7838,.2103;-1.3006,-1.894,-.4065;-.4966,-.9595,1.48;-3.4382,1.022,-.6106;-4.6244,.4776,-.4803;4.9052,.5022,1.5601;4.2035,1.8058,1.2007;3.961,-.585,2.0649;5.155,2.9317,.806;2.9153,-.9919,1.0318;6.0204,2.6453,-.4195;2.1657,-2.2424,1.4555;5.2222,2.3707,-1.6861;-.3691,-1.7135,.5614;-2.4096,-1.0943,-.4101;-2.3328,.2943,-.5975;-1.0641,1.0253,-.7707;-.8433,2.1895,-.0364;-.0955,.5904,-1.6741;-3.6364,-1.682,-.2766;.3303,2.9076,-.2014;1.0767,1.3147,-1.8379;1.292,2.4731,-1.104;-4.7233,-.8197,-.3354;5.662,.7012,2.3256;5.4473,.1172,.6905;3.6067,2.1357,2.0576;3.487,1.6311,.3938;3.4606,-.2488,2.9783;4.5502,-1.4638,2.3436;5.8065,3.1623,1.6549;4.5702,3.8384,.6196;2.2073,-.1761,.8685;3.4046,-1.1781,.0711;6.6748,3.5046,-.5891;6.6867,1.8018,-.2189;2.8465,-3.0891,1.5572;1.6576,-2.1236,2.4129;4.5488,3.1996,-1.9165;4.6145,1.4678,-1.6017;5.8802,2.2368,-2.5459;-1.587,2.53,.6724;-.2589,-.2959,-2.2738;-3.7457,-2.7475,-.128;.4941,3.8079,.3761;1.8205,.9755,-2.5468;2.2054,3.0385,-1.237; 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:-6.314,-1.4536,-.1974;.9592,-2.7838,.2103;-1.3006,-1.894,-.4065;-.4966,-.9595,1.48;-3.4382,1.022,-.6106;-4.6244,.4776,-.4803;4.9052,.5022,1.5601;4.2035,1.8058,1.2007;3.961,-.585,2.0649;5.155,2.9317,.806;2.9153,-.9919,1.0318;6.0204,2.6453,-.4195;2.1657,-2.2424,1.4555;5.2222,2.3707,-1.6861;-.3691,-1.7135,.5614;-2.4096,-1.0943,-.4101;-2.3328,.2943,-.5975;-1.0641,1.0253,-.7707;-.8433,2.1895,-.0364;-.0955,.5904,-1.6741;-3.6364,-1.682,-.2766;.3303,2.9076,-.2014;1.0767,1.3147,-1.8379;1.292,2.4731,-1.104;-4.7233,-.8197,-.3354;5.662,.7012,2.3256;5.4473,.1172,.6905;3.6067,2.1357,2.0576;3.487,1.6311,.3938;3.4606,-.2488,2.9783;4.5502,-1.4638,2.3436;5.8065,3.1623,1.6549;4.5702,3.8384,.6196;2.2073,-.1761,.8685;3.4046,-1.1781,.0711;6.6748,3.5046,-.5891;6.6867,1.8018,-.2189;2.8465,-3.0891,1.5572;1.6576,-2.1236,2.4129;4.5488,3.1996,-1.9165;4.6145,1.4678,-1.6017;5.8802,2.2368,-2.5459;-1.587,2.53,.6724;-.2589,-.2959,-2.2738;-3.7457,-2.7475,-.128;.4941,3.8079,.3761;1.8205,.9755,-2.5468;2.2054,3.0385,-1.237; 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 2792 GEPOL Volume 2786.1694 GEPOL Surface-area 1539.8162 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 2.5s) Overall time for CPCM initialization 2.7s -1856.32160100 2489.94796841 -4346.26956942 -7491.92965206 3145.66008265 -0.02964123 -3706.93487752 1850.61327652 2.00308456 99.999823440148 99.999823440148 199.999646880297 -138.238241854493 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 -2765.6953 -2421.1425 -525.6890 -523.8350 -393.9384 -393.9018 -284.5044 -282.8006 -282.6747 -281.6308 -280.9309 -280.5153 -280.3366 -279.9514 -279.9119 -279.8281 -279.8108 -279.7985 -279.4413 -279.2278 -279.1208 -279.1074 -279.0805 -279.0263 -278.9408 -260.9737 -219.6777 -199.8115 -199.5743 -199.5594 -163.9975 -163.8803 -163.7749 -34.6706 -32.2078 -31.9225 -28.0252 -27.0914 -26.4384 -25.7666 -25.4550 -25.0518 -24.2813 -23.8059 -23.6719 -23.2646 -22.3747 -21.7420 -21.4800 -20.4235 -19.9277 -19.6086 -19.5379 -19.1320 -18.6696 -18.2007 -17.6471 -17.4994 -17.1072 -16.8753 -16.2760 -15.9469 -15.8954 -15.6194 -15.5285 -15.2447 -15.1284 -15.0899 -14.8894 -14.4153 -14.3906 -14.3575 -14.2055 -13.8660 -13.4967 -13.4433 -13.1650 -12.9214 -12.8354 -12.7647 -12.6822 -12.5097 -12.3493 -12.0042 -11.9578 -11.8027 -11.6473 -11.5402 -11.4287 -11.3018 -11.0194 -10.8615 -10.7650 -10.6752 -10.5845 -10.4307 -9.8121 -9.7191 -9.4199 -9.1276 0.1852 0.3780 1.4336 1.8745 1.9330 2.6050 2.9642 3.1741 3.6017 3.6875 3.7942 3.9247 4.2235 4.2945 4.4595 4.5758 4.6177 4.6660 4.9821 5.0994 5.1806 5.3342 5.3706 5.4834 5.5644 5.7094 5.8850 5.9498 5.9711 6.0824 6.2250 6.2807 6.3663 6.5406 6.7142 6.8054 6.9072 7.0074 7.2343 7.3367 7.4566 7.5625 7.6923 7.8266 7.8362 8.0563 8.1465 8.2147 8.2846 8.3932 8.4798 8.5399 8.7555 8.7781 8.8778 8.9897 9.0117 9.0567 9.1941 9.2757 9.3884 9.5327 9.5532 9.7207 9.9291 9.9951 10.1517 10.2118 10.2674 10.4209 10.5084 10.7062 10.7201 10.9685 11.0352 11.0706 11.1636 11.1901 11.3914 11.4969 11.5518 11.7668 11.8195 11.9423 12.0081 12.1614 12.2735 12.4873 12.5306 12.6138 12.6718 12.7726 12.9729 13.1195 13.1834 13.2933 13.4605 13.5210 13.6004 13.6893 13.7374 13.8239 13.9536 14.0376 14.0913 14.1573 14.2298 14.3067 14.3293 14.5433 14.6183 14.7066 14.7389 14.8322 14.8919 14.9518 15.0154 15.0883 15.2138 15.3725 15.4118 15.5735 15.5959 15.6138 15.7909 15.8751 15.9267 15.9857 16.0059 16.0680 16.2964 16.4289 16.5246 16.6816 16.7518 16.8355 16.9232 17.0836 17.2178 17.4828 17.5267 17.5916 17.6616 17.8023 17.9106 18.2536 18.2920 18.3134 18.5659 18.7476 18.7740 18.8920 19.1045 19.2886 19.3770 19.4104 19.7519 19.8897 19.9798 19.9963 20.0971 20.2679 20.3754 20.5847 20.7620 20.8397 20.9798 21.0995 21.2446 21.3151 21.4055 21.4946 21.6702 21.9041 22.0203 22.1477 22.3156 22.4223 22.6062 22.8014 22.8879 22.9297 23.0925 23.1998 23.3585 23.5445 23.8377 23.9481 24.0668 24.1237 24.2748 24.3914 24.4307 24.6815 24.9695 25.1239 25.2399 25.4551 25.5331 25.7367 25.9065 26.0673 26.2614 26.3531 26.6197 26.7019 26.8175 26.9654 27.1435 27.2967 27.4165 27.4920 27.7604 27.7992 27.8607 28.0538 28.4397 28.5590 28.6640 28.7884 28.9160 28.9781 29.1836 29.2176 29.3937 29.4743 29.8581 29.9464 30.2266 30.3959 30.5009 30.6908 30.7274 30.9185 30.9652 31.2046 31.2899 31.6505 31.7189 31.8402 31.9106 32.0219 32.3034 32.3350 32.4363 32.5288 32.6456 32.7517 32.8021 32.9507 33.2728 33.3506 33.4748 33.5669 33.6950 33.8517 34.0470 34.0713 34.3499 34.4819 34.6163 34.8161 34.9092 35.0890 35.2499 35.3034 35.3928 35.6935 35.8668 35.8989 36.0509 36.2079 36.4045 36.4582 36.6606 36.7219 36.8947 36.9758 37.2039 37.2543 37.3888 37.6113 37.7952 37.9333 38.0045 38.1224 38.3213 38.4355 38.5116 38.7094 38.7886 38.8726 39.1776 39.3286 39.4200 39.4345 39.5629 39.8134 39.8221 39.9134 40.2537 40.3418 40.6571 40.7269 40.8226 41.0910 41.2002 41.3534 41.4967 41.7002 41.8391 41.9648 42.0575 42.1789 42.3217 42.4667 42.5793 42.6549 42.9027 42.9765 43.0912 43.2466 43.2596 43.4556 43.7396 43.7882 43.8050 43.8698 43.9838 44.1098 44.2098 44.3756 44.4636 44.7358 44.7836 44.9543 45.1061 45.2600 45.3177 45.5977 45.7169 45.7341 45.8262 46.1320 46.2466 46.2826 46.3217 46.7058 46.8095 46.9467 47.1411 47.2131 47.4034 47.6239 47.7773 47.8143 47.8918 47.9065 48.0928 48.3594 48.4910 48.6890 48.9241 49.0999 49.2460 49.2905 49.4625 49.5934 49.6565 49.9156 50.0846 50.4356 50.5556 50.6942 50.8062 50.9658 51.1590 51.3086 51.3355 51.4597 51.7384 51.7981 51.8884 51.9503 52.3397 52.5444 52.6624 52.8749 53.1506 53.3091 53.5786 53.6975 53.8376 53.9488 54.1812 54.3873 54.7452 54.9200 55.1850 55.2281 55.5656 55.6306 56.0875 56.2193 56.2941 56.7314 56.8182 57.2920 57.4470 57.6885 58.1221 58.2293 58.6016 58.7201 58.9867 59.1342 59.2650 59.4750 59.6007 59.7372 59.9253 60.1115 60.2111 60.5240 60.6350 60.8515 61.0371 61.0804 61.1069 61.2898 61.7138 62.1560 62.2519 62.3877 62.6148 62.6579 62.8039 63.0224 63.4100 63.5069 63.7341 63.8024 64.0757 64.4830 64.9337 65.0366 65.2161 65.4234 65.5389 65.7440 65.9054 66.0953 66.2877 66.3031 66.7286 66.8525 67.0914 67.5072 67.6716 67.9370 68.2158 68.3555 68.7646 69.0559 69.3403 69.9576 70.0983 70.5542 70.7842 71.0567 71.3066 71.4710 71.6534 72.0143 72.0403 72.2568 72.6108 72.8617 73.2127 73.3212 73.3522 73.5212 74.0209 74.3663 74.4427 74.5702 74.7776 74.8795 74.9445 75.3004 75.5048 75.5279 75.7538 76.0009 76.1859 76.4718 76.5948 76.8798 77.0546 77.1867 77.3485 77.6059 77.6338 77.9799 78.1770 78.3094 78.4880 78.7457 78.9779 79.0841 79.3386 79.4149 79.7247 80.0168 80.0462 80.1468 80.2294 80.3552 80.5801 80.7912 80.9934 81.2741 81.3072 81.6643 81.7243 81.9361 81.9454 82.1382 82.4544 82.5179 82.7473 82.9302 82.9797 83.1587 83.2701 83.3677 83.5004 83.7569 84.0031 84.1344 84.2666 84.3144 84.5363 84.5563 84.6908 84.9453 85.0232 85.1032 85.3431 85.5203 85.6476 85.8102 85.8532 85.9843 86.1221 86.2811 86.3899 86.4711 86.6563 86.8165 86.9648 87.0140 87.2155 87.2700 87.4459 87.5058 87.6204 87.7739 87.8286 87.9915 88.0679 88.1562 88.3626 88.5433 88.6664 88.8140 88.8921 88.9548 89.1696 89.2479 89.3812 89.5527 89.6070 89.7216 89.8228 89.9282 89.9728 90.2167 90.2431 90.3837 90.4418 90.4816 90.5520 90.7606 90.9777 91.0662 91.1360 91.2940 91.3923 91.5297 91.7987 91.8206 91.9503 92.0650 92.1706 92.3410 92.5142 92.6080 92.7930 92.9650 93.0218 93.0882 93.2988 93.4426 93.5295 93.6387 94.0273 94.0768 94.3312 94.4426 94.6483 94.7175 94.8393 94.9767 95.1560 95.2744 95.3698 95.6058 95.7187 95.9680 96.1188 96.2120 96.3191 96.4903 96.7725 96.9633 97.1115 97.2158 97.4671 97.6768 97.7706 97.9439 98.0466 98.1737 98.2941 98.4266 98.6123 98.9276 98.9841 99.1304 99.3102 99.5422 99.6718 99.9568 99.9901 100.3174 100.4931 100.6810 100.7334 100.8740 101.0678 101.2245 101.3842 101.5761 101.6279 101.8112 101.9698 102.0322 102.2282 102.3826 102.5960 102.6912 102.9002 103.1705 103.2219 103.6448 103.7203 103.8906 104.0844 104.1476 104.3338 104.5697 104.9074 104.9289 105.0510 105.3227 105.3383 105.5510 105.8250 105.9188 105.9941 106.1900 106.2541 106.5886 106.7252 106.9393 107.1353 107.2860 107.5016 107.5639 107.7496 107.8514 108.1365 108.2739 108.4644 108.6339 108.8400 109.0600 109.1122 109.2180 109.4531 109.6208 109.6963 109.8145 110.0151 110.1151 110.2064 110.3857 110.4854 110.5641 110.7452 110.9247 111.1446 111.3066 111.4562 111.5471 111.7859 111.9572 112.0705 112.4869 112.5584 112.6589 112.8833 113.1210 113.2516 113.3219 113.4328 113.6414 113.7347 113.9922 114.1014 114.3852 114.5333 114.5516 114.7106 114.8842 115.0618 115.1959 115.3614 115.4857 115.6207 115.8751 116.0544 116.2285 116.3258 116.7412 116.7883 116.8486 117.0575 117.2295 117.2591 117.4916 117.8301 117.8849 117.9069 118.0347 118.3677 118.4886 118.5365 118.8159 118.9822 119.2527 119.2652 119.3703 119.5396 119.6135 119.7765 119.8981 120.2148 120.3422 120.5108 120.6788 120.7654 120.9302 120.9936 121.1540 121.3070 121.4159 121.6175 121.7834 122.0579 122.1779 122.3341 122.5688 122.8902 123.0917 123.2351 123.5662 123.8259 124.0459 124.2181 124.2945 124.5677 124.9201 125.1120 125.4840 125.8898 126.5848 126.7884 126.9708 127.2275 127.4848 127.7234 127.8833 128.2280 128.3712 128.7467 128.9073 129.0541 129.1938 129.7274 129.8684 130.0072 130.0806 130.3499 130.4361 130.5641 130.6290 130.8922 131.0671 131.2479 131.5875 131.7646 131.9974 132.0633 132.2624 132.4890 132.5739 132.7918 132.9619 133.2744 133.5881 134.0025 134.2620 134.6452 134.6726 134.8195 135.0986 135.3501 135.8445 136.0238 136.0371 136.1246 136.3178 136.5081 136.8874 136.9976 137.2189 137.3936 137.8455 138.0094 138.1905 138.6375 138.7065 138.9535 139.1021 139.3207 139.6449 140.0035 140.1309 140.3511 140.3895 140.6172 140.7948 141.4114 141.4617 141.6451 141.9092 142.3080 142.5185 142.6256 142.7973 143.2299 143.4539 143.9529 144.0166 144.6683 144.8356 145.1585 145.4889 145.7392 146.2113 146.6117 147.0799 147.8484 147.9508 148.5734 148.7583 148.9052 148.9738 149.0902 149.3418 149.5282 149.7451 150.0239 150.1662 150.4032 150.7460 151.0164 151.1715 151.4242 151.6696 151.8386 152.0416 152.2967 152.8223 152.9233 153.1406 153.2119 153.3430 153.7731 153.9175 154.1792 154.2293 154.4301 154.6678 154.8806 155.1845 155.4785 155.9402 156.1182 156.3258 156.3984 156.8778 156.9726 157.5866 157.6981 158.0594 158.3955 158.4440 159.2003 159.3645 159.3980 159.7269 159.8847 160.0939 160.5602 160.6281 160.8300 161.3721 161.5083 161.8454 163.0738 163.7393 165.3631 165.9728 167.9531 168.9386 169.1590 170.4135 172.1942 173.5674 174.1427 176.9344 177.8429 179.3143 181.8964 184.4425 185.1617 185.8371 187.2062 187.8645 188.1678 188.9410 189.7995 191.7046 193.5508 195.3860 195.8394 198.0611 201.1744 202.5527 204.5521 221.2273 222.4213 223.0495 226.4839 228.8731 246.7649 257.9630 262.7879 294.5128 296.4856 311.8291 545.7993 619.8009 622.6337 626.3707 630.9824 632.2414 634.2582 634.5913 635.0706 636.7124 637.7019 638.5171 639.6913 640.7127 641.6235 643.3487 643.7206 644.1655 647.6404 659.5660 710.1526 880.8074 886.8985 1199.0004 1211.3382 -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 -0.045979 -0.044597 -0.284211 -0.398825 -0.146755 -0.202327 -0.146099 -0.049606 -0.151188 -0.161483 -0.097575 -0.104693 -0.104192 -0.286085 0.358173 0.182606 0.256059 -0.000536 -0.164205 -0.159630 -0.133505 -0.183154 -0.202561 -0.115033 0.154062 0.075786 0.069110 0.081315 -0.012478 0.073558 0.077102 0.072848 0.076107 0.049420 0.076407 0.070146 0.061938 0.131142 0.117344 0.083911 0.072678 0.099618 0.142562 0.161611 0.156291 0.158300 0.155597 0.181026 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 16.0446 8.2842 8.3988 7.1468 7.2023 6.1461 6.0496 6.1512 6.1615 6.0976 6.1047 6.1042 6.2861 5.6418 5.8174 5.7439 6.0005 6.1642 6.1596 6.1335 6.1832 6.2026 6.1150 5.8459 0.9242 0.9309 0.9187 1.0125 0.9264 0.9229 0.9272 0.9239 0.9506 0.9236 0.9299 0.9381 0.8689 0.8827 0.9161 0.9273 0.9004 0.8574 0.8384 0.8437 0.8417 0.8444 0.8190 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 -0.0446 -0.2842 -0.3988 -0.1468 -0.2023 -0.1461 -0.0496 -0.1512 -0.1615 -0.0976 -0.1047 -0.1042 -0.2861 0.3582 0.1826 0.2561 -0.0005 -0.1642 -0.1596 -0.1335 -0.1832 -0.2026 -0.1150 0.1541 0.0758 0.0691 0.0813 -0.0125 0.0736 0.0771 0.0728 0.0761 0.0494 0.0764 0.0701 0.0619 0.1311 0.1173 0.0839 0.0727 0.0996 0.1426 0.1616 0.1563 0.1583 0.1556 0.1810 1.2573 2.4138 2.1216 2.0969 2.9458 2.9355 3.9133 3.8289 3.9366 3.9117 3.8563 3.8625 3.8816 3.9316 4.2676 3.8649 3.8161 3.5552 3.9676 3.8653 4.0434 3.9560 3.8888 3.8000 4.2122 1.0128 1.0037 1.0118 1.0319 1.0095 1.0105 1.0101 1.0072 1.0217 1.0141 1.0092 1.0031 1.0094 1.0237 0.9991 0.9952 1.0074 1.0166 1.0051 1.0057 0.9951 0.9975 0.9748 1.2573 2.4138 2.1216 2.0969 2.9458 2.9355 3.9133 3.8289 3.9366 3.9117 3.8563 3.8625 3.8816 3.9316 4.2676 3.8649 3.8161 3.5552 3.9676 3.8653 4.0434 3.9560 3.8888 3.8000 4.2122 1.0128 1.0037 1.0118 1.0319 1.0095 1.0105 1.0101 1.0072 1.0217 1.0141 1.0092 1.0031 1.0094 1.0237 0.9991 0.9952 1.0074 1.0166 1.0051 1.0057 0.9951 0.9975 0.9748 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.1412 0.9395 1.2629 1.0483 0.9046 1.8988 1.1688 1.5705 1.5926 0.9299 0.9391 1.0056 1.0120 0.9335 0.9960 1.0045 0.9248 1.0103 1.0149 0.9322 1.0107 1.0177 0.9311 0.9981 0.9931 0.9267 1.0074 1.0056 0.9828 0.9978 0.9947 0.9912 0.9982 1.2440 1.5320 0.9235 1.3588 1.3036 1.4717 0.9873 1.4419 0.9958 1.3262 0.9472 1.3942 0.9886 1.3608 1.0000 0.9657 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 -0.027146889 -1856.348747892142 77.76534 -75.04586 2.71947 23.37107 -24.96845 -1.59738 5.88514 -5.81585 0.06929 3.15467 8.01855