Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 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 Cl F F F O O O O O O O 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 1 2 2 2 3 3 3 3 3 3 3 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 6 446.65400959999977 AuxInfo=1/0/N:31,23,30,28,18,21,25,27,17,14,22,15,13,24,16,20,26,19,29,1,2,3,4,12,9,8,10,11,7,5,6/E:(21,22,23)(27,28)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,25.1,26.1,27.1,28.1/rA:46nClFFFOOOO1O1O1O1NC3CC3C3C3C3C3C3C3C3CC3C3C3C3C3CCCHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s10s11;;s5;s6;s12s13;s13s15;s15;s5s8s13;s6;s16s18;;s14;s1s20;s20;s7s9s14;s22s24;s22s25;s2s3s4s22;s7;s30;s14;s17;s18;s21;s23;s23;s23;s25;s27;s28;s30;s30;s31;s31;s31;/rC:-.4065,2.4989,-2.3539;-4.4348,-.549,.4476;-5.4393,1.2413,1.0869;-5.1771,.8444,-1.0102;1.8589,-1.754,.9968;.4741,3.23,.3619;-.769,-3.9569,.0941;2.5152,-1.7506,-1.15;-.5242,-1.7512,-.1477;4.9565,-1.0725,.2907;6.0619,.6229,-.3934;5.0382,.0938,-.0295;2.5983,.2641,.1113;1.2391,-3.0347,.8832;1.5603,2.4232,.2607;3.8364,.8898,.0346;1.4596,1.0376,.2419;2.8014,3.0446,.1809;2.3621,-1.1994,-.0934;-.769,2.6534,.3109;3.9399,2.2737,.073;-3.2649,1.4694,.2169;1.1079,-3.6017,2.2829;-1.3072,2.2571,-.9083;-1.4859,2.4702,1.4789;-.1132,-2.8257,.216;-2.5534,1.6585,-.9597;-2.7385,1.8826,1.434;-4.5825,.7576,.1822;-2.0887,-3.9123,-.4937;-2.6565,-5.3061,-.4536;1.8433,-3.706,.2667;.4977,.548,.3038;2.8749,4.1232,.2094;4.9049,2.7585,.0331;2.093,-3.6808,2.7403;.682,-4.6017,2.2439;.4753,-2.9785,2.9143;-1.0596,2.7842,2.4222;-2.9473,1.3419,-1.9157;-3.2834,1.7423,2.3574;-2.0112,-3.5467,-1.519;-2.7121,-3.2168,.0715;-3.6546,-5.2905,-.8907;-2.7462,-5.6763,.5676;-2.0517,-6.0063,-1.0297; 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 1686 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 236 Dim 1182 ENuc 3420.0716956993 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 5.241e-06 Time for diagonalization 0.493 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.233 sec Total time needed 0.733 sec 17 9 9 9 8 8 8 8 8 8 8 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 1 446.65400959999977 AuxInfo=1/0/N:31,23,30,28,18,21,25,27,17,14,22,15,13,24,16,20,26,19,29,1,2,3,4,12,9,8,10,11,7,5,6/E:(21,22,23)(27,28)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,25.1,26.1,27.1,28.1/rA:46nClFFFOOOO1O1O1O1NC3CC3C3C3C3C3C3C3C3CC3C3C3C3C3CCCHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s10s11;;s5;s6;s12s13;s13s15;s15;s5s8s13;s6;s16s18;;s14;s1s20;s20;s7s9s14;s22s24;s22s25;s2s3s4s22;s7;s30;s14;s17;s18;s21;s23;s23;s23;s25;s27;s28;s30;s30;s31;s31;s31;/rC:-.4065,2.4989,-2.3539;-4.4348,-.549,.4476;-5.4393,1.2413,1.0869;-5.1771,.8444,-1.0102;1.8589,-1.754,.9968;.4741,3.23,.3619;-.769,-3.9569,.0941;2.5152,-1.7506,-1.15;-.5242,-1.7512,-.1477;4.9565,-1.0725,.2907;6.0619,.6229,-.3934;5.0382,.0938,-.0296;2.5983,.2641,.1113;1.2391,-3.0347,.8832;1.5603,2.4232,.2607;3.8364,.8898,.0346;1.4596,1.0376,.2419;2.8014,3.0446,.1809;2.3621,-1.1994,-.0934;-.769,2.6534,.3109;3.9399,2.2737,.073;-3.2649,1.4694,.2169;1.1079,-3.6017,2.2829;-1.3072,2.2571,-.9083;-1.4859,2.4702,1.4789;-.1132,-2.8257,.216;-2.5534,1.6585,-.9597;-2.7385,1.8826,1.434;-4.5825,.7576,.1822;-2.0887,-3.9123,-.4937;-2.6565,-5.3061,-.4536;1.8433,-3.706,.2667;.4977,.548,.3038;2.8749,4.1232,.2094;4.9049,2.7585,.0331;2.093,-3.6808,2.7403;.682,-4.6017,2.2439;.4753,-2.9785,2.9143;-1.0596,2.7842,2.4222;-2.9473,1.3419,-1.9157;-3.2834,1.7423,2.3574;-2.0112,-3.5467,-1.519;-2.7121,-3.2168,.0715;-3.6546,-5.2905,-.8907;-2.7462,-5.6763,.5676;-2.0517,-6.0063,-1.0297; 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" 446.65400959999977 AuxInfo=1/0/N:31,23,30,28,18,21,25,27,17,14,22,15,13,24,16,20,26,19,29,1,2,3,4,12,9,8,10,11,7,5,6/E:(21,22,23)(27,28)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,25.1,26.1,27.1,28.1/rA:46nClFFFOOOO1O1O1O1NC3CC3C3C3C3C3C3C3C3CC3C3C3C3C3CCCHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s10s11;;s5;s6;s12s13;s13s15;s15;s5s8s13;s6;s16s18;;s14;s1s20;s20;s7s9s14;s22s24;s22s25;s2s3s4s22;s7;s30;s14;s17;s18;s21;s23;s23;s23;s25;s27;s28;s30;s30;s31;s31;s31;/rC:-.4065,2.4989,-2.3539;-4.4348,-.549,.4476;-5.4393,1.2413,1.0869;-5.1771,.8444,-1.0102;1.8589,-1.754,.9968;.4741,3.23,.3619;-.769,-3.9569,.0941;2.5152,-1.7506,-1.15;-.5242,-1.7512,-.1477;4.9565,-1.0725,.2907;6.0619,.6229,-.3934;5.0382,.0938,-.0295;2.5983,.2641,.1113;1.2391,-3.0347,.8832;1.5603,2.4232,.2607;3.8364,.8898,.0346;1.4596,1.0376,.2419;2.8014,3.0446,.1809;2.3621,-1.1994,-.0934;-.769,2.6534,.3109;3.9399,2.2737,.073;-3.2649,1.4694,.2169;1.1079,-3.6017,2.2829;-1.3072,2.2571,-.9083;-1.4859,2.4702,1.4789;-.1132,-2.8257,.216;-2.5534,1.6585,-.9597;-2.7385,1.8826,1.434;-4.5825,.7576,.1822;-2.0887,-3.9123,-.4937;-2.6565,-5.3061,-.4536;1.8433,-3.706,.2667;.4977,.548,.3038;2.8749,4.1232,.2094;4.9049,2.7585,.0331;2.093,-3.6808,2.7403;.682,-4.6017,2.2439;.4753,-2.9785,2.9143;-1.0596,2.7842,2.4222;-2.9473,1.3419,-1.9157;-3.2834,1.7423,2.3574;-2.0112,-3.5467,-1.519;-2.7121,-3.2168,.0715;-3.6546,-5.2905,-.8907;-2.7462,-5.6763,.5676;-2.0517,-6.0063,-1.0297; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 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 2707 GEPOL Volume 2766.7984 GEPOL Surface-area 1570.2689 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -2074.25496743 3420.07169570 -5494.32666313 -9654.25819732 4159.93153419 -0.04302842 -4141.78380378 2067.52883635 2.00325322 118.000054356011 118.000054356011 236.000108712023 -165.653302293294 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 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.6470 -675.5320 -675.5071 -675.4400 -525.2803 -525.1946 -524.9458 -524.6932 -524.6875 -523.5989 -523.4299 -399.6149 -286.7124 -284.0642 -283.6222 -282.4145 -282.1753 -281.9416 -281.9320 -281.6766 -281.2304 -281.1520 -280.8057 -280.6969 -280.6195 -280.4552 -280.4537 -280.3343 -280.3186 -279.5537 -279.2707 -260.9160 -199.7563 -199.5149 -199.5037 -39.3432 -37.6716 -36.8366 -36.7453 -34.3429 -33.8267 -33.6879 -32.6939 -31.7594 -31.3473 -28.2329 -27.9474 -26.7845 -25.7833 -25.5918 -24.9133 -24.6927 -24.1021 -23.8106 -23.0455 -22.3206 -21.6521 -21.3656 -20.7948 -20.4991 -20.3744 -19.7740 -19.3772 -19.3231 -19.2445 -18.8378 -18.6325 -18.4723 -18.3761 -18.3078 -17.7232 -17.6082 -17.3400 -16.9191 -16.6563 -16.5403 -16.4585 -16.2056 -15.9988 -15.8741 -15.6685 -15.5339 -15.2613 -15.1419 -15.0318 -14.8871 -14.7770 -14.6728 -14.5478 -14.4286 -14.3728 -14.2119 -14.0980 -13.9527 -13.7546 -13.4996 -13.3234 -13.2198 -13.1802 -13.1185 -12.8398 -12.6050 -12.4675 -12.3629 -12.3407 -12.2915 -11.8866 -11.8438 -11.6801 -11.5693 -11.3747 -11.1785 -11.0478 -10.6507 -10.0905 -9.9528 -9.5399 -9.3629 -0.7380 0.7423 0.8441 1.1577 1.8100 2.1309 2.4831 2.8393 3.2559 3.9288 4.0856 4.2064 4.3355 4.4431 4.6336 4.7431 4.8210 4.9298 5.1016 5.2497 5.3216 5.3977 5.4492 5.5694 5.5820 5.7016 5.8142 6.0242 6.0661 6.2366 6.3743 6.4352 6.5310 6.6706 6.7807 6.8906 7.0401 7.1978 7.3325 7.3977 7.5400 7.5826 7.6523 7.7600 7.9217 8.0594 8.2234 8.3504 8.4002 8.5117 8.7257 8.8561 8.8944 8.9588 8.9717 9.1263 9.2251 9.2554 9.3301 9.4171 9.5041 9.6396 9.7408 9.7744 9.8910 10.0646 10.1140 10.1938 10.3537 10.5175 10.5934 10.6834 10.7743 10.9035 10.9509 11.0181 11.2220 11.4078 11.4572 11.5366 11.6960 11.7455 11.9444 12.0122 12.0788 12.1137 12.3156 12.3783 12.5466 12.6272 12.7262 12.8076 12.9535 13.0620 13.0876 13.1611 13.2309 13.3285 13.5033 13.5316 13.6108 13.7671 13.8866 13.9050 14.0384 14.0716 14.2152 14.3207 14.3391 14.4289 14.5349 14.5785 14.6072 14.6708 14.7373 14.8936 14.9709 15.0873 15.2937 15.4255 15.4672 15.5318 15.7878 15.8369 15.9534 16.0334 16.1570 16.2213 16.3585 16.4622 16.6419 16.8150 17.0016 17.0936 17.1524 17.3225 17.3851 17.4982 17.5873 17.6212 17.8203 18.0523 18.0935 18.2348 18.3350 18.6124 18.7799 18.8762 19.0390 19.1208 19.3285 19.4068 19.4673 19.5793 19.7411 19.8697 19.9355 20.0820 20.1761 20.2626 20.2949 20.4955 20.5733 20.7921 20.9605 21.0851 21.1601 21.4262 21.5863 21.6495 21.6965 21.8453 21.9925 22.1096 22.2414 22.2895 22.4051 22.5010 22.7019 22.9163 22.9915 23.0323 23.0861 23.2323 23.4188 23.4388 23.8021 23.9358 24.0287 24.1153 24.2473 24.2812 24.3529 24.4962 24.6144 24.7452 24.9052 25.0785 25.2155 25.3448 25.5559 25.6229 25.7575 25.9302 26.0593 26.1490 26.3466 26.5061 26.6089 26.7752 26.8874 26.9009 27.1959 27.2307 27.3339 27.5598 27.5647 27.6834 27.8805 28.1419 28.1723 28.2901 28.4645 28.6276 28.6867 28.8787 28.9452 29.0275 29.2319 29.3024 29.4328 29.6070 29.6142 29.7286 29.8629 29.9727 30.1073 30.2622 30.3461 30.4263 30.6582 30.8470 31.0227 31.1109 31.3121 31.3779 31.6891 31.7851 31.9710 32.1453 32.3986 32.4446 32.6557 32.7260 32.9684 33.0751 33.1841 33.3146 33.4772 33.6095 33.7890 33.9816 34.0228 34.1131 34.4000 34.6644 34.7658 34.8969 35.0159 35.2565 35.4418 35.6173 35.7454 35.8549 35.8966 36.1181 36.1498 36.5584 36.6461 36.7835 37.0674 37.2537 37.4421 37.6052 37.6931 37.8125 38.0283 38.1084 38.3577 38.4550 38.5719 38.7311 38.8750 39.1250 39.2075 39.3285 39.3423 39.4994 39.7728 39.9552 40.0787 40.2263 40.6209 40.7060 40.8518 40.9851 41.0168 41.3138 41.4842 41.6786 41.7600 41.8310 41.9478 42.2020 42.3161 42.4551 42.5807 42.6203 42.9432 43.0687 43.3372 43.3972 43.5125 43.7344 43.8293 43.8800 44.1265 44.1876 44.2997 44.6070 44.7704 44.8325 45.0236 45.1014 45.2305 45.4748 45.6378 45.6763 45.9355 46.0761 46.1663 46.4358 46.5878 46.7864 46.8462 46.9850 47.1427 47.1808 47.4110 47.6192 47.9248 47.9919 48.1892 48.3105 48.5609 48.5981 48.8573 49.1983 49.3602 49.5400 49.8201 49.9014 50.0413 50.1606 50.4175 50.4982 50.7403 51.1040 51.2076 51.3027 51.6985 51.9441 52.0109 52.4383 52.5408 52.8227 53.0706 53.2768 53.4973 53.6900 53.8700 54.0251 54.1946 54.3874 54.4843 54.7423 54.9374 55.1509 55.3810 55.4773 55.6562 55.9386 56.0118 56.1880 56.3460 56.4137 56.5687 56.6533 56.8690 57.1292 57.3948 57.4576 57.7038 57.8407 58.0006 58.0781 58.3280 58.5313 58.6689 58.8580 59.1633 59.2774 59.3262 59.4885 59.6305 59.8744 59.9422 60.0778 60.1590 60.2015 60.3654 60.4805 60.7756 60.9876 61.2824 61.5499 61.6965 61.9916 62.1797 62.3898 62.4681 62.6735 62.7660 62.8688 63.3398 63.5527 63.6646 63.8282 63.9807 64.1590 64.2954 64.6303 64.7740 64.8347 65.1812 65.1936 65.4963 65.7362 65.7779 66.0020 66.3630 66.4834 66.6508 66.7720 66.8654 67.0749 67.2023 67.2666 67.5569 67.9128 68.0708 68.2829 68.5894 68.8016 68.9286 69.1071 69.7160 70.0620 70.2279 70.7901 70.9152 71.0353 71.2711 71.3359 71.4515 71.8055 72.0062 72.1461 72.3055 72.4078 72.8077 73.0667 73.3385 73.4215 73.5555 73.8969 73.9523 74.4668 75.0734 75.1165 75.2599 75.5071 75.5844 76.0715 76.0976 76.1641 76.4465 76.6843 76.7450 76.8065 77.0803 77.2959 77.3199 77.8047 77.9804 78.0252 78.0281 78.2173 78.4639 78.6553 78.8025 79.1173 79.1985 79.2990 79.4144 79.5666 79.6705 79.7622 80.0511 80.1407 80.3250 80.4665 80.5736 80.6593 80.8023 80.9552 81.1819 81.2045 81.3868 81.5085 81.5680 81.6669 81.8918 82.0128 82.2322 82.4535 82.6071 82.6472 82.8093 83.0500 83.0713 83.1694 83.3990 83.4467 83.6681 83.6954 83.7868 83.9065 84.1277 84.1862 84.2625 84.4244 84.5501 84.6499 84.7125 84.8405 85.0918 85.3639 85.4621 85.5996 85.7330 85.7600 86.0511 86.1106 86.2689 86.4253 86.5429 86.6493 86.8083 86.8562 86.9204 87.1313 87.3518 87.4995 87.7039 87.7128 87.8140 88.0445 88.1350 88.2297 88.4549 88.5500 88.6467 88.7244 88.8042 88.9435 89.1776 89.4358 89.5236 89.5805 89.6289 89.7345 89.9110 90.0577 90.2185 90.3869 90.5582 90.6208 90.7544 90.9949 91.0712 91.1813 91.3565 91.4773 91.5831 91.7538 91.9895 92.0341 92.0916 92.1915 92.3898 92.4200 92.4914 92.5861 92.7570 93.0124 93.1645 93.2659 93.5133 93.7116 93.8146 93.8511 94.0835 94.1762 94.2702 94.5737 94.6644 94.8549 95.1105 95.2486 95.3151 95.4733 95.7393 95.8576 96.0989 96.1464 96.3058 96.3977 96.4459 96.7865 96.8720 97.0391 97.2064 97.2732 97.3075 97.5067 97.6170 97.6909 97.8291 98.0065 98.3764 98.5614 98.6762 98.7703 99.0520 99.2765 99.2987 99.4556 99.4841 99.6415 99.7176 99.9799 100.0419 100.2890 100.4625 100.6114 100.6843 101.1723 101.3598 101.6289 101.7712 102.0551 102.2219 102.4033 102.6854 102.9677 102.9953 103.2920 103.5126 103.6084 103.8122 104.0310 104.1788 104.4761 104.6273 104.7398 105.0262 105.1811 105.2090 105.3765 105.5710 105.7441 105.8578 106.1073 106.3017 106.3708 106.6180 106.8175 107.0126 107.1916 107.2729 107.3732 107.4498 107.6700 107.9060 108.1050 108.4089 108.6120 108.8067 108.9233 109.0561 109.1520 109.3911 109.4946 109.9948 110.1180 110.1984 110.2406 110.4911 110.7556 110.9392 111.0298 111.1170 111.1461 111.3380 111.4664 111.5501 111.7390 112.0163 112.2108 112.2508 112.6542 112.7316 112.8488 113.0167 113.1458 113.3876 113.5665 113.6821 113.9349 114.0341 114.1596 114.2022 114.4416 114.5438 114.6379 114.6630 114.9213 115.0967 115.6645 115.7673 115.9291 116.3068 116.5457 116.6182 116.7100 117.0371 117.1689 117.2827 117.4470 117.5297 117.9971 118.1001 118.3583 118.5364 118.6711 118.8098 119.0274 119.0581 119.4882 119.6510 119.7199 119.7984 119.8548 120.5016 120.5826 120.6824 120.8682 121.3335 121.3741 121.4928 121.7045 121.8685 122.1738 122.5156 122.8297 123.1661 123.2773 123.6773 123.8372 124.6290 124.7972 124.9766 125.2559 125.6439 125.8675 126.0373 126.1714 126.3420 126.6673 127.0458 127.2103 127.3620 127.4288 127.6866 127.9005 128.2553 128.6457 129.2200 129.3668 129.6848 130.0934 130.4489 130.4605 130.8345 130.9989 131.2765 131.5986 131.9009 132.2132 132.4399 132.6136 132.7912 133.0472 133.2974 133.5096 133.5386 133.7394 134.0920 134.2118 134.4070 134.5891 134.9429 135.0260 135.4870 135.6833 136.0217 136.2103 136.4742 136.6221 137.1765 137.4002 137.7501 138.2494 138.3744 138.5929 139.2165 139.5663 140.0474 140.3707 140.6327 140.9090 141.6599 141.8713 142.1677 142.3334 142.7181 142.7600 142.9003 143.1332 143.2186 143.6512 143.7350 143.8488 144.0121 144.1448 144.2488 144.8296 144.9896 145.0718 145.9719 146.2134 146.7662 147.2713 147.4862 147.8540 148.0204 148.1678 148.2244 148.3029 148.4029 148.7275 148.9282 149.0283 149.1672 149.2420 149.9445 150.0071 150.1966 150.3069 150.6787 150.8507 151.0047 151.4808 151.6545 152.1071 152.2554 152.5272 152.8231 153.0972 153.3466 153.3648 153.6457 153.8264 154.5572 154.9428 155.1925 155.4774 155.6856 156.1156 156.3578 156.4561 156.7768 157.0554 157.2124 157.4389 157.7394 158.0346 158.1505 158.5970 159.6739 160.7180 161.9730 162.1226 162.7343 163.3754 163.9273 164.8972 165.9248 166.4210 167.0934 168.5436 169.2995 170.0602 170.7893 171.1591 172.0483 172.2908 172.8612 173.2138 173.5467 174.0610 174.5155 175.0029 176.5970 177.0670 177.1215 177.4216 177.9950 178.4071 179.2800 179.3795 179.7626 180.8738 181.2269 182.3165 184.8812 184.9263 185.7407 185.8920 186.3317 186.8384 187.4428 188.1200 188.4070 188.5085 188.5720 188.6333 188.7210 188.9633 188.9984 189.0504 189.2859 189.4451 189.4915 190.1336 190.2904 190.8244 191.2913 191.8730 192.2886 192.6007 192.6595 192.8814 193.5492 194.7167 194.8901 195.1895 195.4366 196.3706 196.6860 196.8371 198.3338 199.6700 199.8692 201.3652 202.7525 203.1688 203.9399 204.8505 204.8903 205.0624 206.1055 206.2616 206.5911 206.7930 206.9346 207.5749 209.6078 209.9688 222.4540 223.7066 224.2926 227.6459 227.8458 228.4975 228.9571 230.1029 232.8740 232.9986 235.5622 238.8582 240.9508 241.1598 244.1209 245.9344 247.4295 248.5169 250.4297 251.5186 295.3694 298.4202 312.9451 615.9774 618.7601 625.8155 626.9109 630.0765 630.7089 631.9470 633.0536 634.6165 634.9692 635.5575 636.3074 637.0720 642.8010 643.5416 646.5824 647.2662 653.1255 655.3748 717.2278 890.5774 1198.3114 1199.1163 1202.1621 1204.1519 1208.8970 1213.9550 1214.9338 1558.6822 1559.2255 1561.3783 -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 Cl F F F O O O O O O O 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 -0.053867 -0.177393 -0.180051 -0.179529 -0.267303 -0.302130 -0.288881 -0.423916 -0.469282 -0.393273 -0.394489 0.565103 0.040176 0.188142 0.257344 -0.035929 -0.151396 -0.210093 0.419758 0.203330 -0.046029 -0.022901 -0.275906 0.052326 -0.126976 0.436591 -0.158765 -0.156256 0.556354 0.041770 -0.249461 0.111842 0.146003 0.154328 0.160520 0.105930 0.101377 0.107241 0.158687 0.134703 0.155570 0.103531 0.092856 0.090398 0.089463 0.090483 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 Cl F F F O O O O O O O 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 17.0539 9.1774 9.1801 9.1795 8.2673 8.3021 8.2889 8.4239 8.4693 8.3933 8.3945 6.4349 5.9598 5.8119 5.7427 6.0359 6.1514 6.2101 5.5802 5.7967 6.0460 6.0229 6.2759 5.9477 6.1270 5.5634 6.1588 6.1563 5.4436 5.9582 6.2495 0.8882 0.8540 0.8457 0.8395 0.8941 0.8986 0.8928 0.8413 0.8653 0.8444 0.8965 0.9071 0.9096 0.9105 0.9095 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 8.0000 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 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 -0.0539 -0.1774 -0.1801 -0.1795 -0.2673 -0.3021 -0.2889 -0.4239 -0.4693 -0.3933 -0.3945 0.5651 0.0402 0.1881 0.2573 -0.0359 -0.1514 -0.2101 0.4198 0.2033 -0.0460 -0.0229 -0.2759 0.0523 -0.1270 0.4366 -0.1588 -0.1563 0.5564 0.0418 -0.2495 0.1118 0.1460 0.1543 0.1605 0.1059 0.1014 0.1072 0.1587 0.1347 0.1556 0.1035 0.0929 0.0904 0.0895 0.0905 1.2623 1.1059 1.1217 1.1241 2.1567 2.1324 2.1750 2.0733 2.0089 1.8547 1.8664 4.0774 3.8744 3.7977 3.7987 3.8484 3.9416 4.0744 4.2555 3.8141 4.0079 3.6831 3.9714 3.9645 3.9670 4.0423 4.0869 4.0066 4.4024 3.8456 3.9743 1.0224 1.0345 1.0055 1.0099 1.0052 1.0139 1.0012 0.9984 1.0265 1.0053 0.9945 0.9989 1.0062 1.0030 1.0031 1.2623 1.1059 1.1217 1.1241 2.1567 2.1324 2.1750 2.0733 2.0089 1.8547 1.8664 4.0774 3.8744 3.7977 3.7987 3.8484 3.9416 4.0744 4.2555 3.8141 4.0079 3.6831 3.9714 3.9645 3.9670 4.0423 4.0869 4.0066 4.4024 3.8456 3.9743 1.0224 1.0345 1.0055 1.0099 1.0052 1.0139 1.0012 0.9984 1.0265 1.0053 0.9945 0.9989 1.0062 1.0030 1.0031 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.0751 1.1218 1.1306 1.1296 0.8715 1.2213 1.0398 0.9205 1.2498 0.8393 1.9642 1.8166 0.1940 1.5148 1.5431 0.9575 1.3498 1.4830 0.8927 0.9504 0.9328 1.0023 1.3327 1.3614 1.3871 0.9240 1.5101 0.9840 1.3202 1.4072 0.9461 1.3983 1.3726 0.9915 0.9921 0.9872 0.9791 1.4272 1.4376 0.9773 0.9564 0.9729 0.9818 0.9815 0.9811 0.9854 0.9894 0.9901 0 23 1 28 2 28 3 28 4 13 4 18 5 14 5 19 6 25 6 29 7 18 8 25 9 10 9 11 10 11 11 15 12 15 12 16 12 18 13 22 13 25 13 31 14 16 14 17 15 20 16 32 17 20 17 33 19 23 19 24 20 34 21 26 21 27 21 28 22 35 22 36 22 37 23 26 24 27 24 38 26 39 27 40 29 30 29 41 29 42 30 43 30 44 30 45 -0.024944465 -2074.279911899838 8.33127 -10.69626 -2.36499 -29.33990 29.62243 0.28253 10.99791 -8.99784 2.00007 3.11019 7.90547