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:-6.447,-1.5815,-.3594;.8996,-2.406,.7168;-1.4168,-1.9033,-.1258;-.8339,-.6084,1.6193;-3.5803,.8391,-1.0582;-4.7648,.2988,-.9023;3.7079,1.9711,1.8285;4.5375,2.0246,.5478;3.3313,.5721,2.3118;5.9172,1.3887,.6665;2.4489,-.179,1.3208;6.7663,1.5777,-.5848;1.9501,-1.4965,1.8903;8.1493,.9552,-.4667;-.5678,-1.4701,.837;-2.5404,-1.1684,-.3698;-2.4714,.1573,-.8288;-1.202,.8733,-1.0568;-.1726,.3031,-1.8039;-1.0396,2.1538,-.5307;-3.7655,-1.7509,-.2058;1.0012,1.0096,-2.0222;.1386,2.8512,-.7434;1.1614,2.281,-1.4902;-4.8572,-.9459,-.5107;2.788,2.5459,1.6787;4.2559,2.4842,2.6249;4.6575,3.0746,.2617;3.9904,1.5561,-.2772;2.7979,.6678,3.2624;4.23,-.0133,2.5283;5.8236,.318,.876;6.4412,1.8204,1.5271;1.5996,.4536,1.051;2.996,-.3788,.3967;6.2446,1.1478,-1.4458;6.8654,2.6473,-.7954;2.7786,-2.1769,2.0957;1.4023,-1.3666,2.8243;8.7375,1.1095,-1.3727;8.089,-.1215,-.2952;8.7102,1.388,.3645;-.2913,-.6789,-2.2444;-1.8332,2.5993,.0555;-3.8749,-2.7675,.1463;1.7912,.5641,-2.6123;.2588,3.8416,-.3239;2.0797,2.8288,-1.6588; 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 2466.2322888710 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 6.543e-06 Time for diagonalization 0.432 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.209 sec Total time needed 0.647 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:-6.447,-1.5815,-.3594;.8996,-2.406,.7168;-1.4168,-1.9033,-.1258;-.8339,-.6084,1.6193;-3.5803,.8391,-1.0582;-4.7648,.2988,-.9023;3.7079,1.9711,1.8285;4.5375,2.0246,.5478;3.3313,.5721,2.3118;5.9172,1.3887,.6665;2.4489,-.179,1.3208;6.7663,1.5777,-.5848;1.9501,-1.4965,1.8903;8.1493,.9552,-.4667;-.5678,-1.4701,.837;-2.5404,-1.1684,-.3698;-2.4714,.1573,-.8288;-1.202,.8733,-1.0568;-.1726,.3031,-1.8039;-1.0396,2.1538,-.5307;-3.7655,-1.7509,-.2058;1.0012,1.0096,-2.0222;.1386,2.8512,-.7434;1.1614,2.281,-1.4902;-4.8572,-.9459,-.5107;2.788,2.5459,1.6787;4.2559,2.4842,2.6249;4.6575,3.0746,.2617;3.9904,1.5561,-.2772;2.7979,.6678,3.2624;4.23,-.0133,2.5283;5.8236,.318,.876;6.4412,1.8204,1.5271;1.5996,.4536,1.051;2.996,-.3788,.3967;6.2446,1.1478,-1.4458;6.8654,2.6473,-.7954;2.7786,-2.1769,2.0957;1.4023,-1.3666,2.8243;8.7375,1.1095,-1.3727;8.089,-.1215,-.2952;8.7102,1.388,.3645;-.2913,-.6789,-2.2444;-1.8332,2.5993,.0555;-3.8749,-2.7675,.1463;1.7912,.5641,-2.6123;.2588,3.8416,-.3239;2.0797,2.8288,-1.6588; 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:-6.447,-1.5815,-.3594;.8996,-2.406,.7168;-1.4168,-1.9033,-.1258;-.8339,-.6084,1.6193;-3.5803,.8391,-1.0582;-4.7648,.2988,-.9023;3.7079,1.9711,1.8285;4.5375,2.0246,.5478;3.3313,.5721,2.3118;5.9172,1.3887,.6665;2.4489,-.179,1.3208;6.7663,1.5777,-.5848;1.9501,-1.4965,1.8903;8.1493,.9552,-.4667;-.5678,-1.4701,.837;-2.5404,-1.1684,-.3698;-2.4714,.1573,-.8288;-1.202,.8733,-1.0568;-.1726,.3031,-1.8039;-1.0396,2.1538,-.5307;-3.7655,-1.7509,-.2058;1.0012,1.0096,-2.0222;.1386,2.8512,-.7434;1.1614,2.281,-1.4902;-4.8572,-.9459,-.5107;2.788,2.5459,1.6787;4.2559,2.4842,2.6249;4.6575,3.0746,.2617;3.9904,1.5561,-.2772;2.7979,.6678,3.2624;4.23,-.0133,2.5283;5.8236,.318,.876;6.4412,1.8204,1.5271;1.5996,.4536,1.051;2.996,-.3788,.3967;6.2446,1.1478,-1.4458;6.8654,2.6473,-.7954;2.7786,-2.1769,2.0957;1.4023,-1.3666,2.8243;8.7375,1.1095,-1.3727;8.089,-.1215,-.2952;8.7102,1.388,.3645;-.2913,-.6789,-2.2444;-1.8332,2.5993,.0555;-3.8749,-2.7675,.1463;1.7912,.5641,-2.6123;.2588,3.8416,-.3239;2.0797,2.8288,-1.6588; 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 2806.0308 GEPOL Surface-area 1555.9334 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1856.33294423 2466.23228887 -4322.56523310 -7444.40784116 3121.84260805 -0.02490299 -3706.94398141 1850.61103718 2.00309190 100.000088924585 100.000088924585 200.000177849171 -138.235102147902 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 -2765.6755 -2421.1389 -525.6830 -523.7973 -393.9070 -393.8586 -284.4658 -282.7917 -282.6747 -281.6088 -280.9412 -280.5590 -280.3425 -279.9707 -279.9212 -279.8503 -279.8290 -279.8189 -279.4618 -279.2604 -279.1862 -279.1805 -279.1232 -279.1078 -278.9931 -260.9534 -219.6726 -199.7914 -199.5540 -199.5390 -163.9929 -163.8761 -163.7686 -34.6960 -32.1901 -31.9059 -28.0061 -27.0893 -26.4329 -25.7675 -25.4521 -25.0629 -24.3098 -23.8129 -23.6854 -23.3616 -22.4104 -21.7405 -21.4857 -20.4580 -19.8842 -19.5964 -19.4477 -19.1262 -18.7127 -18.2168 -17.9248 -17.5063 -17.0980 -16.8638 -16.2682 -15.9431 -15.9052 -15.5742 -15.5466 -15.4687 -15.1434 -14.9207 -14.7554 -14.5688 -14.4214 -14.2809 -14.2247 -13.8270 -13.6063 -13.4411 -13.3671 -12.9369 -12.8304 -12.7504 -12.5515 -12.4869 -12.4516 -12.0314 -12.0006 -11.7765 -11.6214 -11.5959 -11.4583 -11.2231 -11.0118 -10.9101 -10.8798 -10.7170 -10.6428 -10.4250 -9.7771 -9.7463 -9.3816 -9.1603 0.2075 0.3962 1.4022 1.8509 1.9402 2.5783 2.9617 3.1679 3.4717 3.6254 3.7836 3.9685 4.1717 4.3334 4.3923 4.5235 4.6350 4.7312 4.8296 5.0821 5.1854 5.3466 5.3874 5.4570 5.5744 5.6634 5.7993 5.9246 5.9665 6.0190 6.1913 6.3379 6.4065 6.4859 6.5801 6.5968 6.7115 6.9048 6.9971 7.2139 7.3007 7.4734 7.5261 7.6935 7.7843 7.8583 8.0139 8.0630 8.1754 8.2815 8.3503 8.5796 8.6401 8.7315 8.8302 8.8621 8.9647 9.0901 9.1564 9.2233 9.3904 9.4102 9.7056 9.7658 9.8249 10.0326 10.1481 10.2127 10.3706 10.3976 10.4862 10.6152 10.7140 10.8585 10.8925 11.0196 11.0857 11.2074 11.2432 11.3998 11.5761 11.6640 11.8655 11.9355 11.9626 12.0823 12.2390 12.2757 12.4636 12.5411 12.6166 12.7327 12.8292 12.8308 13.0146 13.1554 13.2227 13.3338 13.3450 13.5274 13.6151 13.8145 13.8260 13.8860 14.0627 14.1444 14.1819 14.2792 14.4080 14.4366 14.5519 14.6178 14.7062 14.8386 14.8497 14.9674 15.0444 15.2136 15.2445 15.2803 15.2907 15.3573 15.4021 15.4968 15.6821 15.7212 15.7507 15.9115 15.9898 16.1651 16.1841 16.2854 16.5578 16.7097 16.7340 16.8118 16.9585 17.0277 17.0809 17.1539 17.2900 17.4017 17.4327 17.6980 17.7243 17.8926 18.0339 18.1412 18.4466 18.5429 18.6873 18.8574 18.8883 19.0762 19.1148 19.3081 19.4831 19.6312 19.7801 19.9324 20.0363 20.1398 20.3061 20.4438 20.5400 20.5819 20.6639 20.8470 21.0509 21.1403 21.2719 21.3318 21.5491 21.7651 21.9634 22.1331 22.2511 22.3259 22.5140 22.6676 22.7530 22.9247 22.9562 23.0860 23.3094 23.5255 23.5931 23.7311 23.8361 23.9904 24.0223 24.2297 24.2875 24.5799 24.7418 24.9163 25.1340 25.3936 25.4094 25.6940 25.8154 25.9559 26.0847 26.3230 26.4800 26.6183 26.6979 26.8340 26.9860 27.2017 27.3711 27.4761 27.4930 27.6296 28.0271 28.1287 28.3164 28.4323 28.5578 28.7158 28.7722 28.9203 28.9403 29.1915 29.2621 29.5118 29.7785 29.8025 30.2455 30.3511 30.4661 30.5265 30.6811 30.8857 30.9554 31.1129 31.1402 31.2717 31.4367 31.7913 31.9215 31.9894 32.1005 32.1867 32.2914 32.3645 32.5238 32.6105 32.7438 32.8105 33.0735 33.2371 33.2838 33.5731 33.6573 33.8018 33.9261 34.1019 34.2282 34.3661 34.3767 34.5339 34.7432 34.8182 34.9503 35.1194 35.3232 35.4951 35.6917 35.8146 36.0302 36.1257 36.4450 36.5628 36.6932 36.7960 36.8914 36.9983 37.1221 37.3376 37.5234 37.6053 37.7230 37.7791 37.9441 38.0038 38.0784 38.2758 38.4676 38.5021 38.7014 38.7220 38.9754 39.0806 39.1464 39.3500 39.7021 39.7460 39.8562 39.9605 40.2929 40.3108 40.5644 40.7014 40.8944 41.0004 41.1151 41.1852 41.3725 41.4625 41.5942 41.7832 41.8261 42.0620 42.1893 42.2054 42.3851 42.4624 42.5331 42.6451 42.8619 42.9002 43.1475 43.2090 43.2924 43.4911 43.5639 43.7974 43.8901 43.9582 44.0458 44.1538 44.3809 44.5022 44.5748 44.7952 44.9116 45.0752 45.2637 45.3382 45.4331 45.5494 45.7127 45.8787 46.1585 46.1820 46.3498 46.4336 46.6484 46.7297 46.8925 47.0288 47.1380 47.2379 47.4390 47.6144 47.7135 47.7315 47.8483 48.1208 48.2202 48.4167 48.6373 48.6625 48.9317 48.9657 49.0881 49.3098 49.5016 49.7082 49.8803 50.3232 50.4372 50.5120 50.6171 50.8305 50.9351 51.0038 51.3734 51.4917 51.6749 51.7377 51.8099 51.9816 52.1806 52.4034 52.5487 52.6189 52.7855 52.9687 53.2181 53.5625 53.7517 53.9273 54.1535 54.3605 54.7172 54.8866 55.0949 55.1957 55.2693 55.6367 55.8234 56.0908 56.2296 56.7015 56.8772 57.2053 57.2688 57.6221 57.8676 58.0982 58.4110 58.6685 58.8365 58.9013 59.2055 59.4570 59.5141 59.7106 59.7904 59.9314 60.0778 60.1823 60.5827 60.6419 60.8824 61.0772 61.1306 61.2112 61.3083 61.7675 62.0854 62.3239 62.4325 62.6062 62.6824 63.1465 63.1789 63.3962 63.4752 63.8785 64.1720 64.3836 64.5918 65.0210 65.0996 65.2547 65.5353 65.5545 65.9643 66.0701 66.3269 66.4869 66.7750 66.8035 67.2894 67.5083 67.5741 68.0323 68.3587 68.4618 68.5840 69.0420 69.3324 69.3424 69.7692 70.1460 70.5396 71.1304 71.2138 71.3935 71.7720 71.9800 72.0860 72.1763 72.3284 72.6793 72.7711 72.9354 73.0620 73.2835 73.6454 74.0161 74.0657 74.3355 74.3755 74.5914 74.8903 74.9468 75.3853 75.4736 75.6551 75.8049 76.1633 76.2773 76.7084 76.8329 77.1142 77.2116 77.4871 77.6175 77.7331 77.7886 78.1272 78.3121 78.5435 78.8202 79.2062 79.3123 79.3813 79.4830 79.5697 79.8841 79.9212 80.0672 80.2238 80.4373 80.5879 80.7828 80.9674 81.0472 81.1896 81.3710 81.5028 81.5939 81.7714 81.9267 82.0203 82.1817 82.6430 82.7756 82.8707 83.0856 83.4051 83.5587 83.7573 83.8188 84.0083 84.0950 84.2212 84.3982 84.4927 84.6114 84.6938 84.8050 84.9911 85.0344 85.1596 85.3794 85.4761 85.6119 85.7596 85.8945 86.0015 86.0827 86.2539 86.3856 86.4763 86.5687 86.7671 86.8561 86.9532 87.0494 87.1650 87.3740 87.6524 87.6883 87.8281 87.9001 88.0401 88.1760 88.2293 88.3186 88.4622 88.6460 88.7004 88.8648 89.0494 89.2064 89.2214 89.3571 89.4115 89.6197 89.6786 89.7567 89.8584 90.0391 90.0966 90.2083 90.3858 90.4946 90.6009 90.8611 90.9585 91.1144 91.2817 91.3589 91.4828 91.5243 91.5945 91.7391 91.8361 91.9371 92.2061 92.2333 92.2688 92.5207 92.6180 92.8199 92.8877 93.0707 93.1492 93.3043 93.3896 93.4759 93.6430 93.7224 93.9560 94.1120 94.3361 94.4005 94.5099 94.7478 94.8931 95.1494 95.1975 95.2958 95.4813 95.6416 95.8822 96.0521 96.0978 96.2821 96.4757 96.8175 97.1402 97.1997 97.3982 97.5451 97.6674 97.7783 97.9641 98.0372 98.3994 98.4742 98.6304 98.8984 98.9100 99.1467 99.2036 99.4048 99.5444 99.7184 99.9092 100.0660 100.1304 100.2881 100.3993 100.5679 100.7382 100.9847 101.3476 101.4459 101.5451 101.6673 101.8165 101.8289 102.0604 102.2236 102.4519 102.6595 102.7777 103.0278 103.1521 103.4068 103.6973 103.8962 103.9307 104.1221 104.1708 104.5364 104.7578 104.9025 105.3065 105.3615 105.4745 105.6409 105.8035 105.9034 106.1077 106.1852 106.2485 106.4648 106.7899 106.9212 107.1365 107.3046 107.5152 107.6891 107.7887 107.9378 108.1457 108.5109 108.6001 108.6277 108.8121 108.9635 109.1640 109.1867 109.3458 109.4240 109.6875 109.7692 110.0300 110.0623 110.0720 110.1788 110.5131 110.8044 110.9486 110.9876 111.1291 111.4068 111.5129 111.6025 111.6527 111.8589 112.0998 112.2293 112.4840 112.5272 112.6196 112.8823 113.0681 113.1642 113.2262 113.4058 113.5337 113.7243 113.8859 113.9562 114.0862 114.1788 114.3208 114.4720 114.6472 114.8832 114.9572 115.0643 115.2148 115.5125 115.6582 115.8349 116.0472 116.4228 116.4954 116.6901 116.7570 117.0645 117.1983 117.4797 117.5629 117.7200 117.8940 117.9876 118.4000 118.4522 118.5732 118.7188 118.7987 118.9492 119.0473 119.1634 119.4572 119.5714 119.6157 119.6679 119.7665 119.9279 120.0207 120.2798 120.4696 120.6370 120.8550 120.9892 121.1763 121.2283 121.3709 121.5554 121.6491 121.8796 121.9851 122.4449 122.5472 122.7122 123.0094 123.0631 123.3534 123.5704 123.8721 124.0098 124.1161 124.3834 124.9522 125.0975 125.5488 125.8342 126.1437 126.8539 126.9874 127.1709 127.2619 127.6083 127.8016 128.2120 128.4286 128.8210 129.0485 129.2935 129.7956 129.8694 130.0599 130.1383 130.4388 130.5958 130.7085 130.7333 130.8065 130.9628 131.1267 131.2628 131.4909 131.6073 131.9181 132.0439 132.3194 132.4083 132.7061 132.9439 133.2337 133.2400 133.3847 134.2207 134.4331 134.6478 134.9122 135.1140 135.5733 135.6778 136.0531 136.1050 136.1213 136.5428 136.7467 136.8236 137.0682 137.2065 137.2817 137.3662 137.9403 138.1396 138.3629 138.5080 138.7845 139.0599 139.1100 139.2602 139.6269 140.0223 140.1272 140.2671 140.3795 140.7708 140.8341 141.4050 141.5604 141.7850 142.2094 142.3319 142.6655 142.9175 143.3534 143.8188 144.1499 144.4801 144.5015 144.7209 145.1403 145.2709 145.6903 146.4136 146.4955 147.0676 147.4769 147.9133 148.3576 148.6546 148.7944 148.9131 148.9534 149.1781 149.3418 149.4854 149.6027 150.0764 150.1482 150.7299 150.8410 151.0334 151.5244 151.6601 151.7406 151.9746 152.3964 152.6731 152.9545 152.9989 153.1548 153.2672 153.5369 153.6786 154.1650 154.3600 154.4571 154.9205 154.9906 155.1449 155.2743 155.4087 155.8153 156.1531 156.2365 156.5816 156.7509 157.0009 157.5074 158.0535 158.1130 158.3932 158.7190 158.9583 159.2806 159.2988 159.5579 159.7833 160.3196 160.6994 160.7793 161.4028 161.6168 161.8454 162.4540 163.0476 165.2958 165.9788 167.8550 168.7601 169.1232 170.5864 172.1282 173.6967 174.2795 177.0142 177.9380 179.3429 181.9801 184.4371 185.0642 185.8209 187.3261 187.8120 188.3731 189.1729 189.8505 191.6460 193.5868 195.5515 195.9490 198.1266 201.1596 202.4144 204.4006 221.2485 222.4420 223.0667 226.5002 228.8772 247.1664 258.1960 262.6881 294.5306 296.4963 311.8378 545.2571 619.9082 622.3837 626.4272 631.2960 632.0731 634.4414 634.6578 635.0400 636.6016 636.7977 637.6892 639.2768 640.0565 642.1739 642.9362 643.5569 643.6684 646.0043 659.5187 710.0739 880.9196 886.9870 1199.1295 1211.2727 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 -0.045848 -0.043546 -0.283507 -0.373454 -0.140596 -0.195757 -0.142749 -0.131210 -0.151343 -0.110853 -0.115105 -0.081816 -0.109876 -0.278075 0.340541 0.169251 0.252677 0.027689 -0.171899 -0.166435 -0.137008 -0.171275 -0.164029 -0.147364 0.151672 0.075741 0.080719 0.079372 0.048780 0.084037 0.077291 0.058324 0.059526 0.049326 0.078357 0.055712 0.054015 0.131612 0.117315 0.089522 0.077217 0.077468 0.156519 0.140303 0.153672 0.155062 0.155848 0.164174 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 17.0458 16.0435 8.2835 8.3735 7.1406 7.1958 6.1427 6.1312 6.1513 6.1109 6.1151 6.0818 6.1099 6.2781 5.6595 5.8307 5.7473 5.9723 6.1719 6.1664 6.1370 6.1713 6.1640 6.1474 5.8483 0.9243 0.9193 0.9206 0.9512 0.9160 0.9227 0.9417 0.9405 0.9507 0.9216 0.9443 0.9460 0.8684 0.8827 0.9105 0.9228 0.9225 0.8435 0.8597 0.8463 0.8449 0.8442 0.8358 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 -0.0458 -0.0435 -0.2835 -0.3735 -0.1406 -0.1958 -0.1427 -0.1312 -0.1513 -0.1109 -0.1151 -0.0818 -0.1099 -0.2781 0.3405 0.1693 0.2527 0.0277 -0.1719 -0.1664 -0.1370 -0.1713 -0.1640 -0.1474 0.1517 0.0757 0.0807 0.0794 0.0488 0.0840 0.0773 0.0583 0.0595 0.0493 0.0784 0.0557 0.0540 0.1316 0.1173 0.0895 0.0772 0.0775 0.1565 0.1403 0.1537 0.1551 0.1558 0.1642 1.2567 2.4088 2.1188 2.1270 2.9496 2.9378 3.8921 3.8746 3.9053 3.8673 3.8594 3.8800 3.9052 3.9472 4.2950 3.8838 3.8184 3.5394 3.8645 3.9783 4.0418 3.8666 3.9115 3.8364 4.2096 1.0108 1.0093 1.0089 1.0065 1.0104 1.0025 1.0055 1.0101 1.0246 1.0103 1.0056 1.0083 1.0082 1.0251 1.0044 1.0011 1.0010 1.0076 1.0169 1.0067 0.9960 0.9942 0.9844 1.2567 2.4088 2.1188 2.1270 2.9496 2.9378 3.8921 3.8746 3.9053 3.8673 3.8594 3.8800 3.9052 3.9472 4.2950 3.8838 3.8184 3.5394 3.8645 3.9783 4.0418 3.8666 3.9115 3.8364 4.2096 1.0108 1.0093 1.0089 1.0065 1.0104 1.0025 1.0055 1.0101 1.0246 1.0103 1.0056 1.0083 1.0082 1.0251 1.0044 1.0011 1.0010 1.0076 1.0169 1.0067 0.9960 0.9942 0.9844 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1376 0.9571 1.2520 1.0446 0.9138 1.9310 1.1675 1.5790 1.5951 0.9232 0.9283 1.0203 1.0137 0.9323 1.0029 1.0118 0.9250 1.0057 1.0106 0.9415 0.9960 1.0058 0.9334 1.0068 0.9846 0.9419 1.0027 1.0058 0.9768 1.0071 1.0005 0.9956 0.9953 1.2439 1.5353 0.9193 1.2962 1.3651 1.4306 0.9959 1.4637 0.9863 1.3238 0.9474 1.3726 0.9998 1.3801 0.9901 0.9856 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 -0.026284040 -1856.359228273158 84.17488 -81.56027 2.61460 22.49711 -23.71997 -1.22286 8.55819 -8.06291 0.49528 2.92863 7.44397