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:-1.4319,2.5314,2.9127;-5.4285,1.5994,-1.7679;-5.1637,-.1716,-.5821;-5.8835,1.6358,.3325;2.6332,-2.2696,.1759;.2763,2.6572,.5901;.173,-2.9828,.0853;2.0804,-1.7987,-1.9475;.5899,-5.169,-.1271;4.9212,-1.1154,-1.1267;6.0021,.663,-.6554;4.976,.0348,-.751;2.5419,-.0254,-.4377;2.4413,-3.67,-.0254;1.3796,1.9626,.2352;3.7352,.6872,-.4032;1.3594,.6157,-.109;2.5779,2.669,.2683;2.4251,-1.4622,-.849;-.9778,2.2351,.2756;3.7554,2.0292,-.0469;-3.6088,1.5616,-.2769;3.1764,-4.397,1.0829;-1.915,2.1729,1.3004;-1.3599,1.9494,-1.0267;.9626,-4.0274,-.0293;-3.2319,1.8452,1.0273;-2.6705,1.6045,-1.3017;-5.0218,1.162,-.5722;-1.2521,-3.1919,.0526;-1.9129,-1.8408,-.0517;2.8525,-3.9736,-.9933;.4333,.0555,-.1146;2.5822,3.7158,.5401;4.6825,2.583,-.0243;4.2354,-4.1436,1.0533;3.0895,-5.4719,.9405;2.7824,-4.1447,2.0674;-.6369,2.0073,-1.8306;-3.9435,1.8093,1.8411;-2.9459,1.3853,-2.3246;-1.5552,-3.7132,.9631;-1.512,-3.8193,-.8021;-1.6674,-1.2014,.7971;-2.9939,-1.9763,-.0633;-1.6319,-1.3315,-.9741; 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 3384.2568624496 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 4.450e-06 Time for diagonalization 0.485 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.240 sec Total time needed 0.731 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:-1.4319,2.5314,2.9127;-5.4285,1.5994,-1.7679;-5.1637,-.1716,-.5821;-5.8835,1.6358,.3325;2.6332,-2.2696,.1759;.2763,2.6572,.5901;.173,-2.9828,.0853;2.0804,-1.7987,-1.9475;.5899,-5.169,-.1271;4.9212,-1.1154,-1.1267;6.0021,.663,-.6554;4.976,.0348,-.751;2.5419,-.0254,-.4377;2.4413,-3.67,-.0254;1.3796,1.9626,.2352;3.7352,.6872,-.4032;1.3594,.6157,-.109;2.5779,2.669,.2683;2.4251,-1.4622,-.849;-.9778,2.2351,.2756;3.7554,2.0292,-.0469;-3.6088,1.5616,-.2769;3.1764,-4.397,1.0829;-1.915,2.1729,1.3004;-1.3599,1.9494,-1.0267;.9626,-4.0274,-.0293;-3.2319,1.8452,1.0273;-2.6705,1.6045,-1.3017;-5.0218,1.162,-.5722;-1.2521,-3.1919,.0526;-1.9129,-1.8408,-.0517;2.8525,-3.9736,-.9933;.4333,.0555,-.1146;2.5822,3.7158,.5401;4.6825,2.583,-.0243;4.2354,-4.1436,1.0533;3.0895,-5.4719,.9405;2.7824,-4.1447,2.0674;-.6369,2.0073,-1.8306;-3.9435,1.8093,1.8411;-2.9459,1.3853,-2.3246;-1.5552,-3.7132,.9631;-1.512,-3.8193,-.8021;-1.6674,-1.2014,.7971;-2.9939,-1.9763,-.0633;-1.6319,-1.3315,-.9741; 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" 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:-1.4319,2.5314,2.9127;-5.4285,1.5994,-1.7679;-5.1637,-.1716,-.5821;-5.8835,1.6358,.3325;2.6332,-2.2696,.1759;.2763,2.6572,.5901;.173,-2.9828,.0853;2.0804,-1.7987,-1.9475;.5899,-5.169,-.1271;4.9212,-1.1154,-1.1267;6.0021,.663,-.6554;4.976,.0348,-.751;2.5419,-.0254,-.4377;2.4413,-3.67,-.0254;1.3796,1.9626,.2352;3.7352,.6872,-.4032;1.3594,.6157,-.109;2.5779,2.669,.2683;2.4251,-1.4622,-.849;-.9778,2.2351,.2756;3.7554,2.0292,-.0469;-3.6088,1.5616,-.2769;3.1764,-4.397,1.0829;-1.915,2.1729,1.3004;-1.3599,1.9494,-1.0267;.9626,-4.0274,-.0293;-3.2319,1.8452,1.0273;-2.6705,1.6045,-1.3017;-5.0218,1.162,-.5722;-1.2521,-3.1919,.0526;-1.9129,-1.8408,-.0517;2.8525,-3.9736,-.9933;.4333,.0555,-.1146;2.5822,3.7158,.5401;4.6825,2.583,-.0243;4.2354,-4.1436,1.0533;3.0895,-5.4719,.9405;2.7824,-4.1447,2.0674;-.6369,2.0073,-1.8306;-3.9435,1.8093,1.8411;-2.9459,1.3853,-2.3246;-1.5552,-3.7132,.9631;-1.512,-3.8193,-.8021;-1.6674,-1.2014,.7971;-2.9939,-1.9763,-.0633;-1.6319,-1.3315,-.9741; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 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 2704 GEPOL Volume 2835.3241 GEPOL Surface-area 1605.5876 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -2074.26504522 3384.25686245 -5458.52190767 -9580.16405547 4121.64214780 -0.03779688 -4141.80216992 2067.53712471 2.00325407 118.000048766411 118.000048766411 236.000097532822 -165.654708413752 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 -2765.6009 -675.5406 -675.5188 -675.4523 -525.3635 -525.1430 -524.9279 -524.6407 -524.6244 -523.5166 -523.2683 -399.5782 -286.7299 -283.9835 -283.5436 -282.4887 -282.3052 -281.9200 -281.9051 -281.6947 -281.2778 -281.1868 -280.8076 -280.7095 -280.6513 -280.5481 -280.5100 -280.4024 -280.3465 -279.5534 -279.3484 -260.8687 -199.7099 -199.4681 -199.4553 -39.3556 -37.6546 -36.8430 -36.7566 -34.3299 -33.8343 -33.7307 -32.6650 -31.6665 -31.3308 -28.2909 -27.9383 -26.7735 -25.8326 -25.4904 -24.9302 -24.6663 -24.2314 -23.8459 -23.1605 -22.3215 -21.7403 -21.3460 -20.7791 -20.5535 -20.2629 -19.7924 -19.5075 -19.3362 -19.2712 -18.9051 -18.6494 -18.5367 -18.5111 -18.3019 -17.6886 -17.4525 -17.3021 -16.9184 -16.7061 -16.4708 -16.4279 -16.0167 -15.9835 -15.8875 -15.7093 -15.5532 -15.2594 -15.1290 -15.0457 -14.9112 -14.8540 -14.6953 -14.5611 -14.4406 -14.4046 -14.2218 -14.1372 -13.9612 -13.7386 -13.5892 -13.3636 -13.2779 -13.1708 -13.0845 -12.8301 -12.6022 -12.5620 -12.3360 -12.2560 -12.2039 -12.0177 -11.7864 -11.7047 -11.5174 -11.3202 -11.1558 -10.9657 -10.4260 -10.2019 -10.0597 -9.6083 -9.1481 -0.7385 0.7208 0.8897 1.1799 2.0484 2.1878 2.2616 2.8325 3.2670 3.7575 3.9874 4.0398 4.1505 4.4311 4.6289 4.7319 4.7827 4.9121 5.1011 5.2278 5.3246 5.3534 5.4567 5.5370 5.6827 5.7266 5.7948 5.9705 6.1403 6.3075 6.3295 6.5129 6.6461 6.6891 6.8021 7.0105 7.1064 7.2427 7.4431 7.4917 7.6795 7.7141 7.7974 7.8651 7.9340 8.1580 8.2652 8.4424 8.5086 8.6270 8.6824 8.7253 8.9740 9.0925 9.1099 9.1812 9.2253 9.3352 9.5740 9.6188 9.8270 9.8891 9.9544 10.0261 10.0691 10.2437 10.2990 10.4006 10.4611 10.6909 10.7941 10.8496 10.9339 11.0613 11.2218 11.3022 11.4404 11.4860 11.5356 11.6120 11.7920 11.9325 11.9660 12.1374 12.2354 12.2579 12.4582 12.5061 12.6960 12.7106 12.8829 12.9190 12.9680 13.0622 13.1951 13.3077 13.3469 13.4131 13.5199 13.6406 13.7189 13.8153 13.8558 13.9920 14.0175 14.1168 14.1872 14.2951 14.4042 14.4666 14.5270 14.5992 14.8386 14.8603 14.9726 15.0608 15.1563 15.2808 15.3935 15.5162 15.6268 15.7818 15.9554 16.0470 16.0485 16.3143 16.3800 16.5237 16.6338 16.7919 16.9138 17.1214 17.2819 17.3662 17.4816 17.5914 17.6361 17.7463 17.8117 17.8506 17.9543 18.0950 18.3148 18.3653 18.5199 18.7019 18.7936 18.8632 18.9847 19.1624 19.2167 19.4302 19.5834 19.6150 19.6881 19.8193 19.8749 20.0705 20.1604 20.4231 20.4496 20.5574 20.6299 20.7859 20.9564 21.1237 21.2487 21.3580 21.4953 21.8256 21.8852 21.9892 22.0711 22.2552 22.3614 22.5660 22.6315 22.7571 23.0088 23.0851 23.1993 23.2771 23.3996 23.4692 23.8034 23.8265 23.8758 23.9914 24.1438 24.2231 24.3593 24.4476 24.4997 24.6408 24.8978 24.9708 25.1892 25.2083 25.3779 25.4185 25.4685 25.6590 25.8041 26.1447 26.2488 26.3071 26.4633 26.6460 26.7088 26.8026 26.9651 27.1455 27.2454 27.3644 27.4996 27.5428 27.7751 28.0126 28.1047 28.3807 28.5226 28.6017 28.7480 28.8449 28.8802 29.0238 29.1294 29.1647 29.3871 29.5408 29.5786 29.7370 29.8662 29.9974 30.1584 30.3857 30.4454 30.5596 30.6845 30.7769 30.8761 31.0362 31.2038 31.3648 31.4539 31.6847 31.8958 31.9772 32.1683 32.2624 32.3654 32.5849 32.8312 32.9516 33.0802 33.4094 33.5405 33.6166 33.7930 34.0605 34.2323 34.2814 34.4068 34.6043 34.7468 34.8645 35.0021 35.1894 35.2266 35.4637 35.5765 35.8388 35.8808 36.1311 36.3117 36.5205 36.7148 36.9342 37.0054 37.2579 37.3320 37.3880 37.5121 37.8619 37.9690 38.1482 38.1964 38.3468 38.5045 38.5505 38.8423 39.0354 39.0858 39.3381 39.3646 39.5338 39.6706 39.8083 40.1321 40.1479 40.2430 40.4957 40.7663 40.8998 40.9885 41.2244 41.4465 41.5645 41.6591 41.7297 41.9028 42.0167 42.2035 42.4086 42.6305 42.8365 43.0617 43.1344 43.3411 43.3804 43.5930 43.6988 43.7740 43.8659 43.9053 44.1524 44.4469 44.5245 44.7274 44.9106 45.1722 45.2134 45.4226 45.5957 45.6234 45.7446 45.8182 46.0982 46.2048 46.2748 46.3448 46.6354 46.8206 46.8696 47.1442 47.3669 47.4566 47.6621 47.8112 47.9745 48.0961 48.2328 48.3985 48.4581 48.8761 48.9619 49.1062 49.1505 49.2954 49.6628 49.9243 50.0897 50.2649 50.3963 50.6438 50.8059 50.9939 51.3259 51.4667 51.5487 51.9535 52.1210 52.1965 52.6711 52.7119 52.8108 52.9604 53.1384 53.1531 53.4565 53.6449 53.7365 53.8928 54.4139 54.7186 54.8510 55.1244 55.3389 55.4636 55.7832 55.8602 56.1079 56.1953 56.2605 56.4257 56.5734 56.7094 56.9676 57.1651 57.2757 57.5286 57.6252 57.8356 57.9637 58.1351 58.2989 58.4609 58.5739 58.6222 58.8705 59.1472 59.2103 59.3378 59.4905 59.6330 59.7698 59.9901 60.1174 60.3308 60.3598 60.4989 60.6304 60.9440 61.0446 61.1529 61.5276 61.7803 61.9748 62.0814 62.4161 62.5907 62.8689 62.9928 63.1826 63.2561 63.3582 63.4422 63.7493 63.9218 64.1809 64.3076 64.4606 64.5172 64.8512 65.0625 65.2786 65.3946 65.6735 65.7294 65.9720 66.1867 66.4298 66.5016 66.6434 66.8186 67.0396 67.1274 67.3978 67.5179 67.7337 67.7924 68.2110 68.3585 68.4731 68.6544 68.9740 69.8821 70.2886 70.4568 70.5814 70.9311 71.2385 71.3405 71.6281 71.9343 72.0762 72.2993 72.5627 72.7062 72.8989 73.1045 73.2180 73.4802 73.7188 74.0158 74.1924 74.6411 74.8780 74.9759 75.0431 75.3293 75.5167 75.7365 75.9209 76.5544 76.7229 76.8255 77.0277 77.1278 77.2651 77.3789 77.5621 77.6034 78.0154 78.1420 78.2439 78.3812 78.6021 78.6786 78.9742 79.0569 79.2090 79.3210 79.4365 79.5874 79.6587 79.7482 79.7723 80.1203 80.3428 80.4533 80.6655 80.8395 80.9306 81.0035 81.1030 81.1723 81.2306 81.4731 81.5698 81.7066 82.0177 82.1560 82.2727 82.3319 82.6255 82.6348 82.6861 82.9198 82.9898 83.0921 83.1513 83.2684 83.4466 83.7431 83.7575 83.8242 83.9010 84.1309 84.3950 84.4636 84.6646 84.7651 84.8933 85.0833 85.1798 85.2694 85.4005 85.4117 85.7058 85.8009 85.8303 86.0072 86.2290 86.3909 86.6598 86.7888 86.8565 87.1776 87.2771 87.4500 87.5393 87.6770 87.7116 87.8294 88.0132 88.1663 88.2085 88.4509 88.4513 88.5978 88.6696 88.8324 88.9563 89.0485 89.1834 89.3453 89.4539 89.5668 89.6978 89.7550 89.8871 89.9073 90.2127 90.2905 90.3969 90.5288 90.7981 90.9887 91.1626 91.2012 91.2800 91.4910 91.5290 91.6545 91.7232 91.9670 92.0871 92.2263 92.4556 92.6321 92.7609 92.8378 92.8787 92.9886 93.1482 93.2877 93.5526 93.7080 93.7357 93.8877 94.0808 94.2629 94.3871 94.5139 94.7273 94.8199 94.8517 95.0163 95.2232 95.4284 95.5766 95.6495 95.8842 96.0943 96.1924 96.2479 96.4872 96.6430 96.7488 96.8917 96.9923 97.1698 97.2784 97.5854 97.6854 97.8313 97.9419 97.9587 98.2265 98.3940 98.5616 98.8227 98.8346 99.0318 99.2074 99.3244 99.3873 99.6190 99.7859 99.9630 100.2290 100.4172 100.5276 100.6206 100.9313 101.0998 101.4106 101.5358 101.8848 102.1157 102.3910 102.4296 102.5568 102.9351 103.0134 103.1704 103.5286 103.6415 103.7087 103.9917 104.1675 104.2604 104.4361 104.6275 104.8115 104.8960 104.9694 105.2383 105.5150 105.5928 105.8108 106.2657 106.3226 106.5967 106.6937 106.9815 107.1316 107.2389 107.3555 107.5927 107.7008 107.8410 108.3216 108.4509 108.5347 108.8304 108.9063 109.0496 109.2795 109.4226 109.4963 109.6929 109.7841 110.0108 110.1171 110.2934 110.4235 110.5157 110.8442 110.9806 111.0539 111.2074 111.3147 111.4066 111.6885 111.8431 112.0173 112.1638 112.3342 112.4258 112.5867 112.7613 112.8280 113.2016 113.3582 113.3997 113.8496 113.8857 114.0652 114.1871 114.3809 114.5587 114.8054 114.9529 115.2466 115.3084 115.5047 115.5722 115.7492 115.9898 116.0209 116.2510 116.4912 116.6321 116.9426 117.1135 117.5507 117.7536 117.8012 117.9239 117.9452 118.2720 118.2821 118.4730 118.7044 118.9365 119.0512 119.3335 119.5725 119.8641 119.9245 120.0434 120.3682 120.4892 120.5647 120.6477 121.0226 121.2230 121.3058 121.8493 122.0605 122.2019 122.4915 122.6743 122.9569 123.0778 123.1953 123.7577 123.8447 124.5318 124.8399 125.2068 125.3967 125.6331 126.0496 126.1881 126.7301 126.9072 127.0607 127.2263 127.3700 127.4644 127.6551 127.8367 128.2087 128.2875 128.8887 129.0386 129.6668 129.7596 130.2920 130.4117 130.5336 130.8409 131.2621 131.2962 131.6677 131.8258 132.0073 132.3417 132.5229 132.6234 132.7651 133.5950 133.7790 133.7911 134.0934 134.1471 134.4182 134.7976 135.0859 135.2641 135.3017 135.4898 135.8439 136.0009 136.2443 136.5135 136.9984 137.0827 137.5134 137.7112 138.0138 138.5638 138.9965 139.1751 139.8386 140.2452 140.5439 140.8690 141.3430 141.5010 141.8848 142.0489 142.1869 142.6507 142.9323 143.1028 143.3955 143.4432 143.5698 143.7300 143.7921 144.1069 144.5255 144.7355 144.7784 145.2486 145.3304 146.2184 146.5504 147.0047 147.2622 147.7079 147.9337 148.2317 148.4676 148.5905 148.7214 148.8565 149.0386 149.2528 149.4390 149.6858 149.9230 150.0347 150.0935 150.2033 150.4973 150.7771 150.8922 151.0176 151.4146 151.9785 152.0362 152.6252 152.7766 153.2073 153.4132 153.7047 153.8856 154.1347 154.4074 154.7525 155.4416 155.4506 155.5401 155.9564 156.2776 156.5033 156.7822 156.8858 157.1618 157.3933 157.7019 157.8210 158.0938 158.5595 158.7589 160.0696 161.2036 161.8656 161.9893 162.7603 163.2960 163.7474 165.6939 165.8844 167.3996 168.2707 168.8693 169.4066 169.5426 170.6318 171.2612 172.0260 172.2068 172.5491 172.7568 173.9218 174.3552 174.5337 174.9784 175.9789 176.3218 177.5007 177.7204 178.1881 178.7581 179.5659 179.7320 180.1236 180.6502 181.2416 182.1432 185.7501 185.8684 186.0326 186.5001 186.9924 187.1450 187.4393 188.0616 188.5726 188.6228 188.6924 188.8279 188.9670 188.9789 189.0304 189.0755 189.1200 189.4659 189.5716 189.9265 190.4040 190.7891 191.9186 192.3423 192.3924 192.6544 192.8887 192.9199 194.3258 194.5841 194.8164 194.8804 195.2252 195.2694 196.6840 197.6160 198.1008 198.6698 201.0932 201.7671 202.8320 203.1624 203.7070 204.8736 205.5573 205.7213 205.9468 206.6974 206.7690 207.7824 208.4581 208.8027 209.6117 209.9387 221.7670 223.1979 223.8466 227.5543 227.9078 228.4616 228.9497 229.8494 232.9044 233.0131 235.6135 238.8246 240.9057 241.1616 244.1097 245.8926 247.4235 247.7230 250.4833 251.4953 294.9105 297.8851 312.8934 614.8161 620.1285 625.7573 627.7628 630.1233 631.0279 632.2937 633.1244 634.8590 634.8669 635.6907 636.7043 637.1154 643.2447 644.2955 647.0901 649.3987 653.4195 655.7770 715.7761 890.9775 1197.7445 1199.3842 1203.9146 1206.7787 1208.7455 1214.8966 1215.0952 1558.6905 1559.0714 1561.5300 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 -0.057727 -0.179314 -0.176701 -0.179193 -0.259952 -0.295397 -0.260586 -0.403038 -0.451890 -0.384859 -0.385342 0.567770 0.034945 0.158738 0.290497 -0.038540 -0.139262 -0.212262 0.416768 0.250981 -0.065407 -0.040116 -0.266050 -0.017887 -0.163892 0.398490 -0.104686 -0.160156 0.556688 0.034305 -0.271114 0.108482 0.134223 0.152636 0.160622 0.104926 0.099299 0.106016 0.166337 0.130564 0.150846 0.107411 0.098864 0.086942 0.107132 0.089889 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 17.0577 9.1793 9.1767 9.1792 8.2600 8.2954 8.2606 8.4030 8.4519 8.3849 8.3853 6.4322 5.9651 5.8413 5.7095 6.0385 6.1393 6.2123 5.5832 5.7490 6.0654 6.0401 6.2661 6.0179 6.1639 5.6015 6.1047 6.1602 5.4433 5.9657 6.2711 0.8915 0.8658 0.8474 0.8394 0.8951 0.9007 0.8940 0.8337 0.8694 0.8492 0.8926 0.9011 0.9131 0.8929 0.9101 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 -0.0577 -0.1793 -0.1767 -0.1792 -0.2600 -0.2954 -0.2606 -0.4030 -0.4519 -0.3849 -0.3853 0.5678 0.0349 0.1587 0.2905 -0.0385 -0.1393 -0.2123 0.4168 0.2510 -0.0654 -0.0401 -0.2661 -0.0179 -0.1639 0.3985 -0.1047 -0.1602 0.5567 0.0343 -0.2711 0.1085 0.1342 0.1526 0.1606 0.1049 0.0993 0.1060 0.1663 0.1306 0.1508 0.1074 0.0989 0.0869 0.1071 0.0899 1.2560 1.1227 1.1055 1.1243 2.1411 2.1464 2.1589 2.1030 2.0690 1.8618 1.8815 4.1113 3.8584 3.8199 3.7870 3.9045 4.0034 4.0342 4.2766 3.7794 4.0285 3.6453 3.9633 3.9811 3.9480 4.1455 4.0167 3.9601 4.4118 3.8911 3.9678 1.0215 0.9985 1.0066 1.0153 1.0069 1.0172 1.0021 0.9907 1.0280 1.0082 0.9937 1.0000 0.9956 1.0116 1.0008 1.2560 1.1227 1.1055 1.1243 2.1411 2.1464 2.1589 2.1030 2.0690 1.8618 1.8815 4.1113 3.8584 3.8199 3.7870 3.9045 4.0034 4.0342 4.2766 3.7794 4.0285 3.6453 3.9633 3.9811 3.9480 4.1455 4.0167 3.9601 4.4118 3.8911 3.9678 1.0215 0.9985 1.0066 1.0153 1.0069 1.0172 1.0021 0.9907 1.0280 1.0082 0.9937 1.0000 0.9956 1.0116 1.0008 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1084 1.1320 1.1278 1.1312 0.8779 1.1989 1.0228 0.9703 1.2205 0.8618 2.0011 1.9267 0.1882 1.5117 1.5633 0.9850 1.3667 1.4961 0.8689 0.9507 0.9489 0.9945 1.3620 1.3557 1.4045 0.9493 1.5144 0.9825 1.3350 1.3745 0.9319 1.3857 1.3383 1.0001 0.9918 0.9846 0.9816 1.4146 1.4492 0.9700 0.9651 0.9927 0.9987 0.9781 0.9903 0.9799 0.9771 0.9825 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 -0.026915070 -2074.291960286256 20.88153 -22.11499 -1.23346 -23.31194 25.20179 1.88985 -1.00899 1.93890 0.92991 2.44084 6.20412