Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 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 Cl Cl O O O N C C C 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 1 1 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:4.3528,-2.7253,.5401;3.9123,-5.5695,.3513;-1.862,-1.2972,.5315;.0496,-.1359,.5035;-1.9111,4.4906,-.3202;-4.8454,-1.0459,1.9184;.5807,-2.213,-1.8446;1.4522,-2.4782,-.6507;-.0423,-2.3264,-.4649;.7111,-.8705,-2.5202;.2516,-3.3275,-2.8067;2.0599,-3.7906,-.4041;-.5612,-1.1388,.2315;3.2731,-3.9903,.0945;-2.5229,-.1709,1.0998;-2.7044,.9391,.0917;-3.8188,-.6789,1.5518;-2.2275,2.2052,.3913;-3.3091,.6758,-1.1319;-2.3393,3.2138,-.557;-3.4289,1.6979,-2.0597;-2.939,2.9658,-1.783;-.7756,4.716,.42;-.7925,5.8092,1.2741;.3654,3.9333,.2881;.346,6.1232,2.0028;1.4919,4.2528,1.033;1.4897,5.3447,1.891;2.036,-1.6244,-.3271;-.6104,-3.2344,-.2975;-.2449,-.5543,-2.9415;1.423,-.949,-3.3432;1.0682,-.0848,-1.858;-.6426,-3.0747,-3.3783;.0633,-4.2795,-2.3125;1.0683,-3.4708,-3.5161;1.4764,-4.6731,-.6379;-1.9896,.1966,1.9823;-1.7654,2.3915,1.353;-3.6824,-.3138,-1.3642;-3.8979,1.5063,-3.0152;-3.0218,3.7595,-2.5143;-1.6882,6.4108,1.3639;.3856,3.0821,-.3812;.3321,6.9776,2.6666;2.3795,3.6418,.9345;2.373,5.5879,2.4662; 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 1585 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 216 Dim 1156 ENuc 2742.0524971490 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 6.832e-06 Time for diagonalization 0.306 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.268 sec Total time needed 0.580 sec 17 17 8 8 8 7 6 6 6 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 1 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:4.3528,-2.7253,.5401;3.9123,-5.5695,.3513;-1.862,-1.2972,.5315;.0496,-.1359,.5035;-1.9111,4.4906,-.3202;-4.8454,-1.0459,1.9184;.5807,-2.213,-1.8446;1.4522,-2.4782,-.6507;-.0423,-2.3264,-.4649;.7111,-.8705,-2.5202;.2516,-3.3275,-2.8067;2.0599,-3.7906,-.4041;-.5612,-1.1388,.2315;3.2731,-3.9903,.0945;-2.5229,-.1709,1.0998;-2.7044,.9391,.0917;-3.8188,-.6789,1.5518;-2.2275,2.2052,.3913;-3.3091,.6758,-1.1319;-2.3393,3.2138,-.557;-3.4289,1.6979,-2.0597;-2.939,2.9658,-1.783;-.7756,4.716,.42;-.7925,5.8092,1.2741;.3654,3.9333,.2881;.346,6.1232,2.0028;1.4919,4.2528,1.033;1.4897,5.3447,1.891;2.036,-1.6244,-.3271;-.6104,-3.2344,-.2975;-.2449,-.5543,-2.9415;1.423,-.949,-3.3432;1.0682,-.0847,-1.858;-.6426,-3.0747,-3.3783;.0633,-4.2795,-2.3125;1.0683,-3.4708,-3.5161;1.4764,-4.6731,-.6379;-1.9896,.1966,1.9823;-1.7654,2.3915,1.353;-3.6824,-.3138,-1.3642;-3.8979,1.5063,-3.0152;-3.0218,3.7595,-2.5143;-1.6882,6.4108,1.3639;.3856,3.0821,-.3812;.3321,6.9776,2.6666;2.3795,3.6418,.9345;2.373,5.5879,2.4662; 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" 397.1462999999997 AuxInfo=1/0/N:10,11,28,26,27,21,19,24,25,22,18,12,17,16,23,20,8,15,14,9,13,7,1,2,6,4,5,3/E:(1,2)(4,5)(8,9)(23,24)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,25.1,26.1/rA:47nClClOO1ON1CCCCCC3C3C3CC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;s7;s7s8;s7;s7;s8;s3s4s9;s1s2s12;s3;s15;s6s15;s16;s16;s5s18;s19;s20s21;s5;s23;s23;s24;s25;s26s27;s8;s9;s10;s10;s10;s11;s11;s11;s12;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:4.3528,-2.7253,.5401;3.9123,-5.5695,.3513;-1.862,-1.2972,.5315;.0496,-.1359,.5035;-1.9111,4.4906,-.3202;-4.8454,-1.0459,1.9184;.5807,-2.213,-1.8446;1.4522,-2.4782,-.6507;-.0423,-2.3264,-.4649;.7111,-.8705,-2.5202;.2516,-3.3275,-2.8067;2.0599,-3.7906,-.4041;-.5612,-1.1388,.2315;3.2731,-3.9903,.0945;-2.5229,-.1709,1.0998;-2.7044,.9391,.0917;-3.8188,-.6789,1.5518;-2.2275,2.2052,.3913;-3.3091,.6758,-1.1319;-2.3393,3.2138,-.557;-3.4289,1.6979,-2.0597;-2.939,2.9658,-1.783;-.7756,4.716,.42;-.7925,5.8092,1.2741;.3654,3.9333,.2881;.346,6.1232,2.0028;1.4919,4.2528,1.033;1.4897,5.3447,1.891;2.036,-1.6244,-.3271;-.6104,-3.2344,-.2975;-.2449,-.5543,-2.9415;1.423,-.949,-3.3432;1.0682,-.0848,-1.858;-.6426,-3.0747,-3.3783;.0633,-4.2795,-2.3125;1.0683,-3.4708,-3.5161;1.4764,-4.6731,-.6379;-1.9896,.1966,1.9823;-1.7654,2.3915,1.353;-3.6824,-.3138,-1.3642;-3.8979,1.5063,-3.0152;-3.0218,3.7595,-2.5143;-1.6882,6.4108,1.3639;.3856,3.0821,-.3812;.3321,6.9776,2.6666;2.3795,3.6418,.9345;2.373,5.5879,2.4662; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 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 2777 GEPOL Volume 2949.4626 GEPOL Surface-area 1648.0162 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.5s -2050.67258051 2742.05249715 -4792.72507766 -8259.42171762 3466.69663996 -0.03673996 -4095.12774854 2044.45516803 2.00304111 107.999934686393 107.999934686393 215.999869372787 -151.861892473035 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 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.6594 -2765.6130 -525.2555 -524.6764 -523.4575 -392.9740 -283.7559 -282.8401 -282.7730 -281.7034 -281.5607 -281.3243 -280.6109 -280.5214 -280.3629 -280.3260 -280.2946 -280.0085 -279.9649 -279.8844 -279.8754 -279.8224 -279.8101 -279.7786 -279.7309 -279.6310 -279.2690 -279.2452 -260.9282 -260.8811 -199.7692 -199.7241 -199.5237 -199.5176 -199.4744 -199.4708 -34.1704 -32.9676 -31.6046 -28.4877 -28.4186 -27.6425 -27.1908 -26.6663 -26.0019 -25.4070 -24.1515 -24.0898 -23.7311 -23.6443 -23.1673 -22.9053 -21.9405 -21.2415 -20.6154 -20.0499 -19.6881 -19.3416 -19.0237 -18.3684 -18.1448 -17.8687 -17.4031 -17.1910 -16.9654 -16.5140 -16.2388 -16.1290 -15.9768 -15.8903 -15.7526 -15.4083 -15.0445 -14.8128 -14.6627 -14.5599 -14.3616 -14.2775 -14.1052 -13.9906 -13.8985 -13.7524 -13.6230 -13.4212 -13.2433 -13.1030 -12.9923 -12.8024 -12.7564 -12.6542 -12.5674 -12.3705 -12.3492 -12.1533 -12.0556 -11.8795 -11.7480 -11.7155 -11.4582 -11.3956 -11.2025 -10.8545 -10.3093 -9.6750 -9.4577 -9.4223 -8.8970 -8.4955 0.9698 1.3396 1.4286 1.7128 1.9669 2.1428 2.4922 2.5736 2.9275 3.1244 3.3318 3.6924 3.8309 4.1635 4.2051 4.2788 4.5002 4.6332 4.7726 4.8017 4.9837 5.0576 5.1040 5.2559 5.3855 5.6016 5.6208 5.7455 5.8752 5.9267 6.0386 6.1826 6.2411 6.3071 6.4300 6.5865 6.8598 6.9071 6.9749 7.1362 7.2654 7.3540 7.4798 7.6277 7.7132 7.8170 7.8724 7.9629 8.0490 8.1688 8.2099 8.2620 8.2906 8.3501 8.4502 8.5328 8.6704 8.7391 8.9646 9.1104 9.1745 9.2123 9.2938 9.4567 9.5331 9.6254 9.7429 9.9356 10.0287 10.1053 10.1891 10.2267 10.4255 10.5682 10.6566 10.6748 10.8425 11.0012 11.0185 11.1142 11.1746 11.2402 11.3068 11.4288 11.4681 11.5925 11.6653 11.8187 11.8292 11.9425 11.9887 12.0025 12.1470 12.2991 12.4352 12.5006 12.5653 12.5967 12.7368 12.8187 12.8492 12.9410 13.1145 13.1798 13.3122 13.3516 13.4694 13.6514 13.7127 13.8044 13.9155 13.9707 14.0700 14.1082 14.2006 14.3192 14.3648 14.4621 14.5928 14.7090 14.7824 14.8828 14.9387 14.9856 15.1001 15.1255 15.2022 15.2574 15.4805 15.6313 15.7011 15.8547 15.8649 15.9677 16.0515 16.1436 16.2616 16.3845 16.4245 16.5073 16.6098 16.6820 16.7704 16.8796 16.9850 17.0566 17.2610 17.4203 17.4365 17.5763 17.6166 17.7824 17.9325 18.0405 18.2795 18.3841 18.7949 18.8583 18.9966 19.0122 19.2040 19.2862 19.4037 19.5492 19.5591 19.7800 19.9152 20.1718 20.2982 20.3462 20.4800 20.5667 20.6349 20.7504 20.8429 20.9412 21.1751 21.2519 21.2701 21.3611 21.5771 21.6427 21.7585 21.8306 21.9579 22.0689 22.1497 22.2866 22.4792 22.7368 22.8961 23.0391 23.2284 23.3904 23.4632 23.6433 23.7716 23.8537 23.9297 24.0950 24.1754 24.3493 24.4068 24.6595 24.8432 25.0821 25.1043 25.2288 25.2794 25.4639 25.5903 25.8226 26.1472 26.3004 26.4148 26.6102 26.6877 26.9179 27.1107 27.2046 27.3391 27.5459 27.6387 27.7535 27.8784 28.0557 28.2310 28.3246 28.4791 28.5761 28.8400 28.9313 29.0564 29.1647 29.3039 29.4447 29.5176 29.7052 29.8199 30.0360 30.1610 30.2868 30.3117 30.4551 30.5276 30.6256 30.7374 30.8953 31.0530 31.3408 31.4116 31.5658 31.6942 31.8192 32.0290 32.1885 32.2535 32.4638 32.5830 32.7240 32.7828 32.9244 33.1328 33.2211 33.4236 33.5695 33.6509 33.7973 33.9032 34.0907 34.2034 34.3125 34.5189 34.6750 34.9158 34.9925 35.1143 35.1585 35.2758 35.5283 35.7393 35.8260 35.9233 36.0313 36.1772 36.3328 36.4374 36.5037 36.7289 36.7974 36.9897 37.1527 37.3043 37.3149 37.4093 37.5919 37.8254 38.0053 38.1493 38.1661 38.3579 38.3667 38.5749 38.6146 38.7157 38.8673 38.9592 39.1355 39.1447 39.2703 39.4215 39.5483 39.6889 39.9762 40.0620 40.4118 40.4991 40.5958 40.6649 40.8185 41.1941 41.2973 41.3394 41.5082 41.6744 41.7205 41.8037 42.0929 42.1435 42.1798 42.4883 42.6800 42.7235 42.7583 43.0094 43.1290 43.3431 43.4133 43.5795 43.7018 43.9258 43.9610 44.1224 44.2768 44.5624 44.6025 44.6964 44.7142 44.8048 44.9718 45.1269 45.1851 45.3776 45.6715 45.8345 46.0584 46.1278 46.2138 46.2944 46.4508 46.5341 46.8277 46.8331 47.0966 47.1881 47.4552 47.6034 47.7652 47.9402 48.1064 48.1320 48.3324 48.5597 48.7188 48.8084 48.9450 49.1875 49.3863 49.5978 49.6909 49.8582 49.9812 50.3340 50.4131 50.6791 50.7576 50.8086 50.9120 51.0710 51.1992 51.3216 51.6159 51.8834 51.9253 52.0377 52.2745 52.3801 52.4080 52.5466 52.6321 52.8886 53.0070 53.2197 53.5374 53.6166 53.9249 54.0482 54.3110 54.6540 54.7632 55.0022 55.2141 55.5051 55.8040 55.9219 56.0940 56.3083 56.5109 56.6210 56.8541 57.0163 57.1222 57.2719 57.4253 57.5789 57.7782 57.8178 57.9685 58.2104 58.3938 58.7283 58.8366 58.9108 59.0743 59.2123 59.3152 59.5139 59.5988 59.7657 59.9842 60.0812 60.1901 60.4526 60.7173 61.2421 61.2536 61.4705 61.7515 61.9805 62.2878 62.5296 62.7839 62.9671 63.1240 63.2280 63.3504 63.5007 63.7908 63.8833 64.0109 64.3068 64.4336 64.5455 64.7816 64.8635 65.1115 65.2989 65.3143 65.7349 65.7480 65.9391 66.1435 66.3032 66.5220 66.8031 67.0805 67.3103 67.4689 67.7057 67.8381 67.9717 68.2709 68.4990 68.7096 68.8673 68.9714 69.3382 69.4639 69.5800 69.7823 70.1356 70.5264 70.7045 71.4716 71.5919 71.9400 72.2085 72.4949 72.7404 72.9103 73.3070 73.4566 73.5668 73.6861 73.8726 74.2307 74.5462 74.5841 74.7524 74.8528 75.0616 75.0954 75.5079 75.9464 75.9888 76.1004 76.1702 76.4620 76.6754 76.8056 76.9421 77.0520 77.2791 77.5310 77.7427 77.8108 78.0015 78.0392 78.2344 78.5311 78.7216 78.9014 78.9727 79.0183 79.1983 79.2558 79.4327 79.5274 79.6627 79.7519 79.8673 79.9539 80.0315 80.1398 80.2831 80.3297 80.5159 80.5867 80.7830 80.9568 81.3723 81.4380 81.5174 81.7589 81.9044 82.0439 82.0935 82.2939 82.4032 82.4908 82.5801 82.7725 82.9017 83.0365 83.1182 83.3021 83.6256 83.7748 83.9308 84.1409 84.3211 84.4678 84.5517 84.6116 84.7086 84.8145 84.9535 85.0482 85.1197 85.3166 85.4621 85.5372 85.5940 85.7429 85.8031 86.0832 86.1681 86.1836 86.3393 86.5539 86.6922 86.7513 86.9413 87.0216 87.1107 87.3457 87.5699 87.7356 87.8332 87.9963 88.1982 88.3446 88.4826 88.5314 88.6220 88.7680 88.8525 88.9396 89.1337 89.2890 89.3276 89.5722 89.5979 89.6496 89.8280 89.9152 90.0969 90.1508 90.3508 90.4873 90.7313 90.8689 90.9137 91.0947 91.2296 91.2674 91.3833 91.5518 91.7511 92.0599 92.1611 92.2893 92.4074 92.6013 92.7349 92.8661 92.9072 92.9380 93.0601 93.2333 93.3333 93.5083 93.5823 93.5926 93.6646 93.8646 93.9342 94.1425 94.2870 94.3368 94.5084 94.6386 94.7572 94.9396 95.0589 95.1566 95.2522 95.2732 95.5310 95.6651 95.7861 95.9329 96.1943 96.3604 96.6054 96.7260 96.8762 96.9820 97.0279 97.1528 97.2763 97.3910 97.5688 97.6656 97.7899 97.9530 97.9973 98.2263 98.3841 98.4525 98.6790 98.8490 98.9717 99.0442 99.2350 99.3532 99.5058 99.5750 99.9006 100.0979 100.4047 100.6416 100.8043 101.0326 101.1822 101.2548 101.2890 101.6542 102.0795 102.1925 102.2669 102.4574 102.6352 102.6999 102.9884 103.1379 103.6734 103.8701 104.0468 104.1903 104.4281 104.6574 104.7001 104.8180 104.9674 105.3149 105.4220 105.4307 105.5203 105.6995 105.7867 105.8694 105.9628 106.1697 106.2586 106.4330 106.5377 106.7073 106.9392 107.0502 107.2503 107.4186 107.4583 107.6031 107.6823 107.8964 107.9605 108.2500 108.3674 108.5866 108.9982 109.1136 109.2722 109.4869 109.7156 109.7698 110.1038 110.1869 110.2062 110.3127 110.5310 110.6833 110.7938 110.9791 111.0483 111.2534 111.4414 111.4863 111.8325 111.8848 112.0174 112.4957 112.6256 112.7496 113.0566 113.2924 113.4249 113.5873 113.6772 113.9070 114.0079 114.1827 114.4474 114.5328 114.8653 115.2050 115.2230 115.3358 115.4766 115.7683 115.9155 116.0698 116.2479 116.3733 116.3876 116.5857 116.7303 116.8880 117.0263 117.1080 117.2561 117.5368 117.6069 117.6857 117.8713 117.9180 118.1109 118.1804 118.3693 118.4058 118.4805 118.6974 118.7982 118.8932 118.9785 119.2320 119.2611 119.4421 119.8235 119.9667 120.2707 120.3874 120.5469 120.6030 121.0120 121.2227 121.3269 121.5711 121.7183 121.9619 122.1965 122.2860 122.4696 122.4839 122.8640 123.1263 123.4022 123.5956 124.0464 124.2795 124.4337 124.5449 125.2461 125.4367 125.7430 125.9119 126.0596 126.3202 126.4161 126.5099 126.8671 127.4320 127.5442 127.9421 128.0264 128.1931 128.7483 128.9977 129.2880 129.3659 129.4517 129.6046 129.8617 129.9517 129.9951 130.3142 130.4490 130.7236 130.8226 131.1221 131.2461 131.4437 131.5592 131.7546 131.8373 131.9572 132.1682 132.3526 132.8044 132.9325 133.1675 133.4069 133.6242 134.0655 134.4701 134.6070 134.9576 135.0158 135.2846 135.4751 135.7581 136.3862 136.6625 136.9855 137.2542 137.6992 137.8642 138.0911 138.4347 138.7635 138.8205 138.9123 139.5584 139.6516 139.8480 139.9665 140.8315 140.9550 141.2199 141.3843 142.0725 142.1560 142.7498 143.0157 143.3949 143.5499 143.9899 144.0337 144.2992 144.3732 144.4404 144.6285 144.8795 145.1600 145.3888 145.5927 145.8491 146.3282 146.5850 146.7777 147.0905 147.3917 147.6632 147.9172 147.9861 148.1278 148.3463 148.5309 148.7386 149.1540 149.8063 149.8703 149.9045 150.4062 150.4688 150.9767 151.1467 151.6340 151.9142 152.2796 152.5184 152.6281 152.7639 153.2494 153.8940 154.5326 154.6637 155.0223 155.8197 155.9577 156.1924 156.4967 156.6487 156.9493 157.1454 157.7488 157.9771 158.8188 159.0614 159.5838 159.8468 160.0482 160.2247 160.4931 160.8673 161.9113 162.2079 162.5235 162.6214 163.3612 163.8984 164.3136 165.4318 166.9457 167.9184 169.2721 170.2548 171.4101 172.1936 172.6910 172.8782 174.4363 175.5216 177.6174 178.0539 178.6786 180.5427 182.4362 185.3499 186.4025 186.8343 187.4121 189.0892 189.4863 192.0782 192.2492 193.2974 195.0758 196.7197 198.9087 202.0949 204.8044 206.3826 206.9345 221.3361 221.6871 222.4036 222.9409 222.9586 223.5324 225.7873 225.9844 227.9149 229.2876 294.5011 294.7701 295.7237 297.1617 308.5454 313.3299 609.2327 618.0567 620.9483 626.0554 629.1807 630.5575 631.5041 632.2717 634.0261 634.2106 635.1390 635.5286 636.6767 636.7382 637.7202 639.3973 642.2531 643.4250 647.8203 650.7341 657.2655 658.0006 701.6054 707.6846 876.1982 1200.2043 1212.7391 1214.7256 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 Cl Cl O O O N C C C 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 -0.057789 -0.061742 -0.276629 -0.461187 -0.338130 -0.100978 0.090952 0.028781 -0.066031 -0.261119 -0.268769 -0.206170 0.389207 0.042146 0.413902 0.026829 -0.218798 -0.205438 -0.243877 0.291313 -0.121960 -0.228595 0.293880 -0.254062 -0.195053 -0.123152 -0.148843 -0.188449 0.078728 0.102996 0.098110 0.102449 0.091104 0.099168 0.093771 0.102072 0.134511 0.142577 0.149284 0.149516 0.162644 0.150900 0.147877 0.159798 0.161348 0.161692 0.161217 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 Cl Cl O O O N C C C 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 17.0578 17.0617 8.2766 8.4612 8.3381 7.1010 5.9090 5.9712 6.0660 6.2611 6.2688 6.2062 5.6108 5.9579 5.5861 5.9732 6.2188 6.2054 6.2439 5.7087 6.1220 6.2286 5.7061 6.2541 6.1951 6.1232 6.1488 6.1884 0.9213 0.8970 0.9019 0.8976 0.9089 0.9008 0.9062 0.8979 0.8655 0.8574 0.8507 0.8505 0.8374 0.8491 0.8521 0.8402 0.8387 0.8383 0.8388 17.0000 17.0000 8.0000 8.0000 8.0000 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 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 -0.0578 -0.0617 -0.2766 -0.4612 -0.3381 -0.1010 0.0910 0.0288 -0.0660 -0.2611 -0.2688 -0.2062 0.3892 0.0421 0.4139 0.0268 -0.2188 -0.2054 -0.2439 0.2913 -0.1220 -0.2286 0.2939 -0.2541 -0.1951 -0.1232 -0.1488 -0.1884 0.0787 0.1030 0.0981 0.1024 0.0911 0.0992 0.0938 0.1021 0.1345 0.1426 0.1493 0.1495 0.1626 0.1509 0.1479 0.1598 0.1613 0.1617 0.1612 1.2678 1.2431 2.1349 2.0456 2.0723 3.1098 3.7426 3.8780 3.8247 3.9078 3.9059 3.9021 4.2004 4.2083 3.7213 3.5665 4.0807 3.9392 3.9677 3.7108 3.8980 4.0123 3.6747 4.0073 3.9028 3.8758 3.8923 3.9021 1.0492 1.0308 1.0006 1.0013 1.0140 1.0011 1.0052 1.0006 1.0171 1.0162 1.0054 1.0105 0.9880 1.0041 1.0077 0.9953 0.9879 0.9898 0.9893 1.2678 1.2431 2.1349 2.0456 2.0723 3.1098 3.7426 3.8780 3.8247 3.9078 3.9059 3.9021 4.2004 4.2083 3.7213 3.5665 4.0807 3.9392 3.9677 3.7108 3.8980 4.0123 3.6747 4.0073 3.9028 3.8758 3.8923 3.9021 1.0492 1.0308 1.0006 1.0013 1.0140 1.0011 1.0052 1.0006 1.0171 1.0162 1.0054 1.0105 0.9880 1.0041 1.0077 0.9953 0.9879 0.9898 0.9893 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1840 1.1584 1.1538 0.8624 1.8806 0.9554 0.9235 3.0558 0.9081 0.8505 0.9520 0.9485 0.9258 1.0406 0.9888 1.0343 1.0100 0.9939 0.9889 0.9845 0.9866 0.9886 0.9931 1.8560 0.9499 0.8821 0.9353 0.9830 1.3533 1.3364 1.3663 0.9670 1.4405 0.9913 1.3896 1.4228 0.9826 0.9822 1.3817 1.3492 1.4300 0.9864 1.4189 0.9652 1.4028 0.9787 1.4130 0.9773 0.9833 0 13 1 13 2 12 2 14 3 12 4 19 4 22 5 16 6 7 6 8 6 9 6 10 7 8 7 11 7 28 8 12 8 29 9 30 9 31 9 32 10 33 10 34 10 35 11 13 11 36 14 15 14 16 14 37 15 17 15 18 17 19 17 38 18 20 18 39 19 21 20 21 20 40 21 41 22 23 22 24 23 25 23 42 24 26 24 43 25 27 25 44 26 27 26 45 27 46 -0.024440784 -2050.697021295584 -15.77789 16.35106 0.57317 21.67833 -21.72627 -0.04794 -15.66714 14.15340 -1.51374 1.61933 4.11601