Orca 5.0.2 RELEASE 1 2 3 4 5 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 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 46 F F F F F F F O O N N N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H 1 1 1 1 1 1 1 2 2 3 3 3 3 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 5 449.21772239999973 AuxInfo=1/0/N:28,31,29,21,20,32,19,30,26,15,25,27,14,17,16,22,18,23,24,1,2,3,4,5,6,7,13,12,10,11,9,8/E:(18,19)(21,22,23,24,25,26)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,27.2,31.1,32.1/rA:47nFFFFFFFO1O1NNNN2C3CC3C3CC3C3C3C3CCC3CC3CC3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;;;;s10;;;s10s14;s11s14;;s1s17;s14s17;s16;s17s20;s8s10s11;s2s3s4s18;s5s6s7s18;s9s11;s12;s26;s25;s27;s13s27;s29;s13s31;s15;s15;s19;s20;s21;s12;s26;s26;s28;s28;s28;s29;s30;s31;s32;/rC:3.6401,1.3323,1.2126;2.9011,-1.2116,1.3809;4.6429,-1.0113,.1382;2.7264,-1.4244,-.7528;3.2457,2.6823,-1.2365;3.4645,.7801,-2.227;5.0204,1.5127,-.9392;-4.3018,-.336,.1674;-2.6782,3.1293,1.6775;-2.6933,-.1163,-1.4129;-2.6378,1.2456,.4449;-3.0958,-1.2135,-2.1585;-3.4189,-3.651,1.5531;-.6423,.9357,-.8155;-1.5961,.6793,-1.9369;-1.2192,1.2173,.4136;1.539,.9805,.1847;3.0335,.7638,.1206;.7284,.8067,-.9322;-.4224,1.37,1.5379;.9529,1.256,1.4162;-3.2967,.1995,-.2526;3.3411,-.7491,.2145;3.7042,1.443,-1.0963;-3.3117,2.2807,1.0907;-2.3379,-2.4246,-1.8315;-2.2912,-2.7562,-.3671;-4.8085,2.3291,1.0053;-1.238,-2.3466,.4402;-3.352,-3.4107,.2527;-1.3004,-2.58,1.8065;-2.413,-3.2295,2.3137;-1.968,1.6154,-2.3669;-1.12,.118,-2.7377;1.1279,.5585,-1.9053;-.8516,1.5438,2.5133;1.5515,1.3692,2.3086;-4.0907,-1.3521,-2.0235;-1.3224,-2.3046,-2.2163;-2.7983,-3.2312,-2.4037;-5.2611,1.5711,1.6439;-5.1814,2.1793,-.0071;-5.1318,3.3076,1.354;-.3737,-1.855,.0083;-4.1891,-3.7615,-.3445;-.5023,-2.2647,2.4652;-2.4965,-3.4223,3.3774; 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 1733 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 236 Dim 1202 ENuc 3637.5722872401 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 4.118e-06 Time for diagonalization 0.334 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.284 sec Total time needed 0.624 sec 9 9 9 9 9 9 9 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 449.21772239999973 AuxInfo=1/0/N:28,31,29,21,20,32,19,30,26,15,25,27,14,17,16,22,18,23,24,1,2,3,4,5,6,7,13,12,10,11,9,8/E:(18,19)(21,22,23,24,25,26)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,27.2,31.1,32.1/rA:47nFFFFFFFO1O1NNNN2C3CC3C3CC3C3C3C3CCC3CC3CC3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;;;;s10;;;s10s14;s11s14;;s1s17;s14s17;s16;s17s20;s8s10s11;s2s3s4s18;s5s6s7s18;s9s11;s12;s26;s25;s27;s13s27;s29;s13s31;s15;s15;s19;s20;s21;s12;s26;s26;s28;s28;s28;s29;s30;s31;s32;/rC:3.6401,1.3323,1.2126;2.9011,-1.2116,1.3809;4.6429,-1.0113,.1382;2.7264,-1.4244,-.7528;3.2457,2.6823,-1.2365;3.4645,.7801,-2.227;5.0204,1.5127,-.9392;-4.3018,-.336,.1674;-2.6782,3.1293,1.6775;-2.6933,-.1162,-1.4129;-2.6378,1.2456,.4449;-3.0958,-1.2135,-2.1585;-3.4189,-3.651,1.5531;-.6423,.9357,-.8155;-1.5961,.6793,-1.9369;-1.2192,1.2173,.4136;1.539,.9805,.1847;3.0335,.7638,.1206;.7284,.8067,-.9321;-.4224,1.37,1.5379;.9529,1.256,1.4162;-3.2967,.1995,-.2526;3.3411,-.7491,.2145;3.7042,1.443,-1.0963;-3.3117,2.2807,1.0907;-2.3379,-2.4246,-1.8315;-2.2912,-2.7562,-.3671;-4.8085,2.3291,1.0053;-1.238,-2.3466,.4402;-3.352,-3.4107,.2527;-1.3004,-2.58,1.8065;-2.413,-3.2295,2.3137;-1.968,1.6154,-2.3669;-1.12,.118,-2.7377;1.1279,.5585,-1.9053;-.8516,1.5438,2.5133;1.5515,1.3692,2.3086;-4.0907,-1.3521,-2.0235;-1.3224,-2.3046,-2.2163;-2.7983,-3.2312,-2.4037;-5.2611,1.5711,1.6439;-5.1814,2.1793,-.0071;-5.1318,3.3076,1.354;-.3737,-1.855,.0083;-4.1891,-3.7615,-.3445;-.5023,-2.2647,2.4652;-2.4965,-3.4223,3.3774; 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" 449.21772239999973 AuxInfo=1/0/N:28,31,29,21,20,32,19,30,26,15,25,27,14,17,16,22,18,23,24,1,2,3,4,5,6,7,13,12,10,11,9,8/E:(18,19)(21,22,23,24,25,26)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,27.2,31.1,32.1/rA:47nFFFFFFFO1O1NNNN2C3CC3C3CC3C3C3C3CCC3CC3CC3C3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;;;;s10;;;s10s14;s11s14;;s1s17;s14s17;s16;s17s20;s8s10s11;s2s3s4s18;s5s6s7s18;s9s11;s12;s26;s25;s27;s13s27;s29;s13s31;s15;s15;s19;s20;s21;s12;s26;s26;s28;s28;s28;s29;s30;s31;s32;/rC:3.6401,1.3323,1.2126;2.9011,-1.2116,1.3809;4.6429,-1.0113,.1382;2.7264,-1.4244,-.7528;3.2457,2.6823,-1.2365;3.4645,.7801,-2.227;5.0204,1.5127,-.9392;-4.3018,-.336,.1674;-2.6782,3.1293,1.6775;-2.6933,-.1163,-1.4129;-2.6378,1.2456,.4449;-3.0958,-1.2135,-2.1585;-3.4189,-3.651,1.5531;-.6423,.9357,-.8155;-1.5961,.6793,-1.9369;-1.2192,1.2173,.4136;1.539,.9805,.1847;3.0335,.7638,.1206;.7284,.8067,-.9322;-.4224,1.37,1.5379;.9529,1.256,1.4162;-3.2967,.1995,-.2526;3.3411,-.7491,.2145;3.7042,1.443,-1.0963;-3.3117,2.2807,1.0907;-2.3379,-2.4246,-1.8315;-2.2912,-2.7562,-.3671;-4.8085,2.3291,1.0053;-1.238,-2.3466,.4402;-3.352,-3.4107,.2527;-1.3004,-2.58,1.8065;-2.413,-3.2295,2.3137;-1.968,1.6154,-2.3669;-1.12,.118,-2.7377;1.1279,.5585,-1.9053;-.8516,1.5438,2.5133;1.5515,1.3692,2.3086;-4.0907,-1.3521,-2.0235;-1.3224,-2.3046,-2.2163;-2.7983,-3.2312,-2.4037;-5.2611,1.5711,1.6439;-5.1814,2.1793,-.0071;-5.1318,3.3076,1.354;-.3737,-1.855,.0083;-4.1891,-3.7615,-.3445;-.5023,-2.2647,2.4652;-2.4965,-3.4223,3.3774; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM F O N C H 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 2623 GEPOL Volume 2741.4062 GEPOL Surface-area 1469.7455 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.4s -1801.67917985 3637.57228724 -5439.25146709 -9714.08679134 4274.83532425 -0.03980694 -3596.68739871 1795.00821886 2.00371640 118.000123629365 118.000123629365 236.000247258730 -158.791791545756 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 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -676.0422 -675.9937 -675.9626 -675.9597 -675.9496 -675.9467 -675.4731 -523.0537 -522.9464 -394.3841 -394.1460 -393.4480 -392.4352 -287.2893 -287.2522 -283.9206 -283.7478 -283.2248 -281.3906 -281.0035 -280.8250 -280.5675 -280.5493 -280.5285 -280.4610 -280.3578 -280.2737 -280.1788 -280.1264 -280.0259 -279.8362 -279.6004 -40.0008 -39.8229 -37.5501 -37.3497 -37.3023 -37.2743 -37.1738 -33.0111 -32.2051 -30.7670 -29.6047 -29.0703 -27.5109 -26.7215 -26.1500 -25.2636 -24.6108 -24.2336 -24.0920 -23.4214 -23.2596 -22.5507 -22.0349 -21.8503 -20.8700 -20.6191 -20.3792 -20.1890 -20.0920 -19.9179 -19.7617 -19.6021 -19.4381 -19.3022 -18.7524 -18.6263 -18.2503 -17.5393 -17.1504 -16.9143 -16.7379 -16.5003 -16.4635 -16.3340 -16.2702 -16.2111 -16.1879 -15.9485 -15.8125 -15.6599 -15.4828 -15.4378 -15.3183 -15.2592 -15.1001 -15.0116 -14.9147 -14.8858 -14.8293 -14.7424 -14.6021 -14.5684 -14.4248 -14.3388 -14.0381 -13.9004 -13.7527 -13.6455 -13.4999 -13.4097 -13.2803 -13.0812 -12.7974 -12.7655 -12.4585 -12.3558 -11.0942 -10.9003 -10.6829 -10.3465 -10.3169 -9.7641 -9.7422 -9.5206 -9.2033 -8.8906 0.7810 1.1657 1.3041 1.4995 1.9001 2.9534 3.1867 3.3960 3.5839 3.8475 3.9566 4.2021 4.4286 4.7357 4.8606 4.9068 4.9902 5.1226 5.3650 5.3999 5.4349 5.5003 5.5846 5.7498 5.7979 5.9142 6.0803 6.1450 6.3135 6.4341 6.5028 6.6076 6.7733 6.8179 6.9889 7.1178 7.3440 7.4126 7.4740 7.6055 7.7176 7.9201 7.9937 8.0396 8.1487 8.2555 8.3612 8.4039 8.6803 8.7638 8.8210 8.8293 8.9488 9.0338 9.1302 9.1556 9.2473 9.3602 9.4196 9.6798 9.7632 9.8167 9.9837 10.0061 10.1221 10.2046 10.2877 10.5126 10.5565 10.6968 10.8554 10.8957 11.0433 11.0940 11.2105 11.3850 11.5099 11.5670 11.6514 11.8871 11.9737 12.0173 12.0883 12.1906 12.3372 12.3955 12.4721 12.5425 12.7904 12.9182 12.9875 13.0835 13.2775 13.3693 13.4053 13.5313 13.6811 13.7391 13.8006 13.8963 14.0044 14.0962 14.1219 14.3532 14.3934 14.4125 14.4915 14.5893 14.7117 14.8924 14.9947 15.0713 15.1362 15.2252 15.3260 15.4264 15.4349 15.6682 15.7086 15.8961 16.0319 16.1940 16.3147 16.5130 16.5907 16.6047 16.9711 17.0699 17.1584 17.2218 17.4533 17.6660 17.6765 17.8059 17.9119 18.0737 18.2019 18.2650 18.3908 18.4620 18.6762 18.7782 18.8988 19.0131 19.0402 19.2027 19.2360 19.4580 19.6780 19.7936 19.8533 19.9119 20.0988 20.1611 20.2929 20.5566 20.5745 20.7217 20.8641 21.0261 21.1146 21.2231 21.3072 21.3295 21.6587 21.7029 21.9357 22.1046 22.1215 22.3024 22.4182 22.5854 22.6458 22.6954 22.8777 22.9924 23.1619 23.3074 23.4282 23.5358 23.6040 23.7368 23.8314 23.9354 24.0722 24.1839 24.3970 24.5193 24.6589 24.7540 24.8285 24.9199 25.0440 25.2594 25.2838 25.4196 25.7021 25.7806 25.9392 26.0069 26.2163 26.3304 26.4727 26.5289 26.6593 27.0302 27.0831 27.3061 27.5842 27.6130 27.6931 27.7327 27.8656 28.1024 28.1820 28.2887 28.5388 28.5659 28.7277 28.7931 28.9066 29.0839 29.1343 29.4107 29.4795 29.6435 29.6614 29.8433 30.0559 30.1190 30.2906 30.3910 30.6796 30.7000 30.7608 31.0527 31.1354 31.2921 31.4999 31.6188 31.7335 31.9271 32.1674 32.2768 32.3170 32.4124 32.6674 32.7951 32.9282 33.1308 33.3299 33.4507 33.5070 33.7222 33.8104 34.0127 34.1869 34.2674 34.4109 34.6036 34.8095 34.8988 35.0524 35.2363 35.3773 35.5107 35.5676 35.6813 35.8508 35.9983 36.1183 36.3252 36.5670 36.6193 36.6902 36.8109 36.9639 37.1729 37.2515 37.4073 37.7644 37.9217 38.0735 38.3338 38.4383 38.5390 38.5998 38.8332 38.9385 39.0352 39.1939 39.5020 39.5779 39.7680 39.8600 40.0181 40.1283 40.1812 40.4828 40.5103 40.6222 40.9311 41.0957 41.1927 41.2950 41.4825 41.5773 41.8414 42.0328 42.1982 42.2984 42.4194 42.5865 42.6708 42.7398 42.9154 43.0917 43.1763 43.3400 43.5259 43.6884 43.8634 43.9025 44.0306 44.1393 44.2721 44.5527 44.7259 44.8433 45.0387 45.0633 45.1476 45.2774 45.4183 45.5016 45.6016 45.7789 46.2438 46.2741 46.3557 46.5461 46.9951 47.0151 47.1189 47.3335 47.4696 47.8795 48.1023 48.4032 48.6839 48.7987 48.8899 48.9481 49.2630 49.3593 49.6339 49.9391 50.0288 50.3139 50.4375 50.5365 50.8870 50.9527 51.0734 51.2323 51.4406 51.5851 51.7494 52.0322 52.2493 52.6059 52.7558 53.0816 53.0899 53.2180 53.4045 53.6082 53.6351 53.9287 53.9861 54.4808 54.6104 54.7729 54.9679 54.9982 55.2089 55.3860 55.5076 55.5189 55.8891 55.9783 56.1987 56.2897 56.5697 56.6843 56.7139 56.8806 57.2513 57.7533 58.0577 58.2148 58.2855 58.5454 58.7709 58.8810 59.0150 59.3962 59.6361 59.7085 59.8261 60.1049 60.1390 60.4443 60.5936 60.8036 60.9123 61.0290 61.3357 61.5084 61.9486 62.1353 62.5348 62.6134 62.8248 63.0140 63.1793 63.7136 63.9797 64.0650 64.1228 64.4213 64.7230 64.9230 65.1337 65.3009 65.4102 65.6347 65.6589 65.8073 65.8656 66.0353 66.1990 66.6242 66.6956 66.8079 67.0595 67.2959 67.7618 67.8760 68.1574 68.4534 68.5692 68.8835 69.0047 69.2199 69.2869 69.4092 69.6282 69.7984 69.9326 70.1977 70.3983 70.5235 70.6256 70.7870 70.9610 71.2013 71.3110 71.5600 71.7683 71.8688 72.0910 72.2785 72.3851 72.6226 72.7458 73.0108 73.2629 73.4358 73.8193 73.9961 74.2347 74.3630 74.9093 75.0424 75.1841 75.3794 75.4393 75.9262 76.2244 76.3155 76.6134 76.7774 76.9429 77.1007 77.3575 77.4228 77.6221 77.7490 78.0477 78.1662 78.4032 78.4414 78.5268 78.8126 78.9029 79.0332 79.3048 79.4330 79.5006 79.7134 79.9162 80.2177 80.3309 80.4021 80.5608 80.8858 81.1759 81.2864 81.5008 81.6585 81.8095 81.9178 82.0179 82.2439 82.4529 82.5062 82.7193 82.7974 82.9180 82.9859 83.1514 83.3347 83.3764 83.5043 83.5865 83.8353 83.9542 84.2130 84.3417 84.4404 84.5754 84.6602 84.7403 84.8404 85.1357 85.2328 85.4071 85.4968 85.6171 85.6973 85.8215 86.0015 86.0749 86.2215 86.3572 86.3880 86.6341 86.7275 86.8790 86.9045 87.0514 87.2871 87.4368 87.5434 87.6263 87.6539 87.7783 87.8138 87.9790 88.2952 88.3250 88.4131 88.4809 88.6643 88.7811 88.8659 89.1139 89.1269 89.3751 89.4723 89.4942 89.6082 89.8206 90.0191 90.1691 90.2136 90.3717 90.6093 90.7631 90.8980 91.0707 91.0967 91.1593 91.3458 91.5747 91.7077 91.8889 91.9411 92.0248 92.1368 92.3089 92.4563 92.5999 92.8379 93.0460 93.0552 93.1531 93.3472 93.5059 93.6203 93.8370 93.9033 93.9473 94.1085 94.3076 94.4343 94.5127 94.6326 94.7415 94.8800 95.0826 95.2684 95.3543 95.5631 95.7322 95.9702 96.0274 96.1428 96.2655 96.3309 96.4747 96.6378 96.7942 97.0018 97.0579 97.1268 97.4367 97.5291 97.7453 97.7585 97.8792 98.0112 98.0580 98.4025 98.4650 98.5188 98.7345 98.8079 98.9648 99.1633 99.2718 99.4003 99.4501 99.7799 99.9481 100.0317 100.3039 100.4021 100.6916 100.7436 100.8444 100.9636 100.9804 101.4542 101.8189 101.9072 102.0825 102.1852 102.3731 102.5351 102.7315 102.9367 103.1886 103.4352 103.6688 103.7753 103.8840 104.0745 104.2333 104.4402 104.5691 104.6850 104.7987 105.0497 105.2357 105.3606 105.4156 105.8152 105.9043 106.0006 106.0548 106.3344 106.4409 106.4707 106.6463 106.8415 106.9991 107.2317 107.2687 107.6614 107.7877 107.8321 108.1811 108.4305 108.4975 108.6724 108.8276 109.0142 109.1004 109.2610 109.3428 109.6163 109.6724 109.8857 110.0509 110.1417 110.3032 110.4355 110.5254 110.6407 110.7964 110.8429 111.0328 111.2040 111.4197 111.6422 111.8852 111.9569 112.0035 112.2066 112.4222 112.6994 112.7904 112.8943 113.0104 113.1963 113.2213 113.3681 113.3941 113.7904 113.8405 113.9458 114.2487 114.4609 114.6360 114.6952 114.9929 115.1582 115.2961 115.4478 115.5930 115.9263 116.0195 116.1921 116.2153 116.4474 116.6234 116.9390 117.0320 117.1965 117.3081 117.4921 117.5639 117.7159 118.1145 118.1688 118.3113 118.6123 118.7096 118.7870 118.8877 119.2697 119.4119 119.6475 119.7647 119.9815 120.1087 120.1845 120.4659 120.5543 120.7013 120.8438 120.9621 121.1632 121.5998 121.6417 121.9200 122.1630 122.3833 122.7091 122.8767 123.1191 123.3175 123.4532 123.8004 123.8912 124.0078 124.1622 124.3146 124.4047 124.9576 125.0360 125.3100 125.6612 126.0215 126.0870 126.3766 126.7277 127.2709 127.4463 127.9688 128.1770 128.8442 129.4719 129.6248 129.8445 130.1963 130.2272 130.6034 130.7809 130.9883 131.0446 131.1519 131.7629 132.1519 132.4071 132.8226 132.9874 133.3297 133.5266 134.1301 134.3939 134.4803 134.7785 135.0289 135.2023 135.6106 135.7637 135.9062 136.0541 136.6748 136.7896 137.0844 137.2331 137.3384 137.6695 138.2721 138.5726 138.6856 139.1033 139.1546 139.5930 139.8842 139.9593 140.1707 140.2130 140.5049 140.6947 141.1339 141.1738 141.8239 142.0703 142.3586 142.5097 142.9734 143.0384 143.1907 143.4974 143.6271 143.9800 144.1296 144.3024 144.3852 144.9024 145.0563 145.2768 145.4723 145.6401 146.0186 146.1104 146.4532 146.6334 146.9298 147.1034 147.6320 147.7661 147.9338 148.2893 148.5291 148.6770 148.9089 149.3016 149.3758 149.5298 149.7959 149.9361 150.0668 150.3469 150.5508 150.6398 150.8270 150.9564 151.1393 151.6348 151.9011 152.0132 152.5096 152.7329 152.9567 153.3293 153.4720 154.1609 154.8467 155.4247 155.5254 155.8195 156.2462 156.6174 156.6845 157.1756 157.5355 157.7209 157.8887 158.1152 158.5447 158.7672 159.0451 159.5242 160.1536 160.5710 161.0757 161.8673 162.2246 163.1647 163.6822 164.3270 164.8759 165.7962 166.2017 166.8363 167.7803 168.6532 169.3219 170.5566 171.4244 171.8615 172.3752 173.5597 173.8929 176.7174 177.6621 177.8235 179.2344 179.5868 181.4207 182.2663 183.3462 184.0821 186.3880 186.9692 187.0048 188.0774 188.1019 188.1449 188.1711 188.2129 188.2445 188.3026 188.3442 188.3655 188.4732 188.4995 188.6601 188.7373 188.7605 188.8431 188.8579 188.9965 189.2628 189.8712 190.5314 191.6820 191.7860 191.9732 192.3963 192.4244 192.6267 192.9931 193.1439 193.6632 194.3902 194.5070 194.5606 194.6812 195.0224 195.9633 196.2578 196.3034 196.3877 197.4819 199.1385 199.6465 199.7374 200.8846 202.5220 202.9204 203.0360 203.2026 203.7366 204.1735 207.3280 207.4485 209.1036 209.7460 209.9628 210.5585 227.4092 228.0748 228.3579 228.5321 228.7813 228.8620 230.3751 232.0685 232.8301 233.2827 233.4354 234.0719 235.0345 236.3676 238.7922 239.1827 240.6315 240.8945 241.2477 241.6940 243.6959 244.3300 245.0469 245.2986 245.4774 245.9256 246.8280 247.1112 247.6475 247.6813 247.8742 250.4166 250.9786 251.1319 252.2073 619.6258 622.9458 624.6787 625.3130 630.4331 631.9709 633.3015 634.7996 636.9669 637.5235 638.3427 638.5432 639.6806 641.8654 643.1811 645.7071 646.9519 650.0931 657.1069 888.3138 892.0205 898.4899 905.5089 1197.8711 1202.2903 1559.8428 1560.3678 1561.7438 1562.2051 1564.3765 1565.5139 1569.2512 -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 F F F F F F F O O N N N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H -0.196160 -0.159375 -0.155795 -0.159836 -0.154680 -0.158631 -0.153015 -0.470190 -0.457785 0.030426 -0.048461 -0.206780 -0.358076 -0.093341 -0.049369 0.152940 -0.009497 0.210267 -0.137179 -0.237876 -0.129277 0.249956 0.465938 0.485552 0.350694 -0.057770 0.011630 -0.251079 -0.117734 -0.026333 -0.169008 0.014818 0.125640 0.117825 0.141232 0.147370 0.146598 0.153757 0.109034 0.119616 0.115625 0.116965 0.101966 0.164481 0.129649 0.150567 0.144702 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 F F F F F F F O O N N N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H 9.1962 9.1594 9.1558 9.1598 9.1547 9.1586 9.1530 8.4702 8.4578 6.9696 7.0485 7.2068 7.3581 6.0933 6.0494 5.8471 6.0095 5.7897 6.1372 6.2379 6.1293 5.7500 5.5341 5.5144 5.6493 6.0578 5.9884 6.2511 6.1177 6.0263 6.1690 5.9852 0.8744 0.8822 0.8588 0.8526 0.8534 0.8462 0.8910 0.8804 0.8844 0.8830 0.8980 0.8355 0.8704 0.8494 0.8553 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 9.0000 8.0000 8.0000 7.0000 7.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.1962 -0.1594 -0.1558 -0.1598 -0.1547 -0.1586 -0.1530 -0.4702 -0.4578 0.0304 -0.0485 -0.2068 -0.3581 -0.0933 -0.0494 0.1529 -0.0095 0.2103 -0.1372 -0.2379 -0.1293 0.2500 0.4659 0.4856 0.3507 -0.0578 0.0116 -0.2511 -0.1177 -0.0263 -0.1690 0.0148 0.1256 0.1178 0.1412 0.1474 0.1466 0.1538 0.1090 0.1196 0.1156 0.1170 0.1020 0.1645 0.1296 0.1506 0.1447 1.1041 1.1581 1.1667 1.1534 1.1625 1.1561 1.1706 2.0301 2.0379 3.1234 3.0844 2.9010 3.0666 3.8510 3.8998 3.6702 3.6425 4.0590 3.9811 4.0346 4.0122 4.4406 4.4609 4.4739 4.0534 3.9552 3.4929 3.8945 3.8977 4.0831 3.9064 4.0092 0.9920 1.0103 1.0277 1.0193 1.0151 1.0315 0.9987 1.0050 1.0115 1.0026 1.0182 0.9719 1.0108 0.9961 0.9994 1.1041 1.1581 1.1667 1.1534 1.1625 1.1561 1.1706 2.0301 2.0379 3.1234 3.0844 2.9010 3.0666 3.8510 3.8998 3.6702 3.6425 4.0590 3.9811 4.0346 4.0122 4.4406 4.4609 4.4739 4.0534 3.9552 3.4929 3.8945 3.8977 4.0831 3.9064 4.0092 0.9920 1.0103 1.0277 1.0193 1.0151 1.0315 0.9987 1.0050 1.0115 1.0026 1.0182 0.9719 1.0108 0.9961 0.9994 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 1.0245 1.1236 1.1469 1.1182 1.1417 1.1139 1.1588 1.8998 1.9255 0.8787 0.8789 1.3172 0.9059 1.0415 1.1037 0.9597 0.9801 1.5256 1.4552 0.9593 1.3284 1.4510 0.9685 1.0200 1.3914 0.9370 1.3886 1.3712 0.9863 0.9634 0.9250 1.4772 0.9789 0.9691 0.9796 0.8843 1.0183 1.0034 1.3196 1.3639 0.9618 0.9746 0.9838 1.4141 0.9893 1.0003 1.4369 0.9833 0.9766 0 17 1 22 2 22 3 22 4 23 5 23 6 23 7 21 8 24 9 11 9 14 9 21 10 15 10 21 10 24 11 25 11 37 12 29 12 31 13 14 13 15 13 18 14 32 14 33 15 19 16 17 16 18 16 20 17 22 17 23 18 34 19 20 19 35 20 36 24 27 25 26 25 38 25 39 26 28 26 29 27 40 27 41 27 42 28 30 28 43 29 44 30 31 30 45 31 46 -0.030594930 -1801.709774777107 -54.47360 54.79374 0.32014 -7.97442 7.75515 -0.21928 1.88652 -3.91210 -2.02558 2.06241 5.24224