Orca 5.0.2 RELEASE 1 2 3 4 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 S O O O O C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 372.3086999999997 AuxInfo=1/0/N:9,10,28,26,27,24,25,14,16,22,19,11,20,17,23,18,13,21,7,8,12,15,6,3,4,5,2,1/E:(1,2)(4,5)(6,7)/CRV:3.3,4.3,5.3,6.3,7.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,22.3,24.1,25.1/rA:52nSOO1O1OCCCCCC3C3C3CC3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s2s3s8;s11;s13;s1s4s13;s1s14;s2;s17;s18;s5s18;s5s19;s21;s22;s23;s23;s24;s25;s26s27;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s16;s17;s17;s19;s20;s22;s22;s24;s25;s26;s27;s28;/rC:-.1754,-.0744,-3.9613;2.2562,1.803,.3648;1.5987,.8498,2.2819;-1.0088,-1.3173,-1.7941;-1.7652,1.893,-1.4058;3.2675,-1.5921,1.3553;2.9895,-1.223,-.0781;3.331,-.1548,.9513;2.1546,-2.1179,2.2314;4.5949,-2.2616,1.6274;1.6377,-1.2734,-.6655;2.2937,.8577,1.3043;1.3179,-.7095,-1.8315;2.2009,.1155,-2.7098;-.0692,-.8163,-2.3462;1.6261,.0868,-4.1269;1.2351,2.8083,.4648;-.073,2.3139,-.0375;-1.0458,1.5237,.655;-.5734,2.4987,-1.2828;-2.0472,1.2963,-.2264;-3.3224,.5345,-.1375;-3.4437,-.1601,1.1908;-4.211,.383,2.2133;-2.7503,-1.3438,1.4277;-4.2912,-.242,3.4499;-2.8266,-1.9691,2.6621;-3.5965,-1.4192,3.678;3.7888,-1.4173,-.7886;4.3192,.2821,.8369;2.3762,-1.9236,3.2805;1.1816,-1.6769,2.0314;2.0688,-3.1983,2.1012;4.5262,-3.3378,1.4613;5.3876,-1.8784,.9827;4.9048,-2.1024,2.6614;.8548,-1.7968,-.1272;3.235,-.2327,-2.7106;2.2127,1.14,-2.3302;2.0068,-.7627,-4.6935;1.8562,.9943,-4.6817;1.1563,3.1653,1.4927;1.5986,3.6296,-.1522;-.9936,1.1704,1.6706;-.2057,3.0272,-2.1479;-4.1717,1.2082,-.2883;-3.3595,-.1964,-.9498;-4.7514,1.3066,2.0424;-2.1447,-1.7692,.6365;-4.8958,.1932,4.2349;-2.2832,-2.8895,2.8325;-3.6555,-1.9083,4.6415; 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 1638 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 210 Dim 1215 ENuc 2891.9424885423 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.896e-06 Time for diagonalization 0.348 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.283 sec Total time needed 0.637 sec 16 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.3086999999997 AuxInfo=1/0/N:9,10,28,26,27,24,25,14,16,22,19,11,20,17,23,18,13,21,7,8,12,15,6,3,4,5,2,1/E:(1,2)(4,5)(6,7)/CRV:3.3,4.3,5.3,6.3,7.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,22.3,24.1,25.1/rA:52nSOO1O1OCCCCCC3C3C3CC3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s2s3s8;s11;s13;s1s4s13;s1s14;s2;s17;s18;s5s18;s5s19;s21;s22;s23;s23;s24;s25;s26s27;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s16;s17;s17;s19;s20;s22;s22;s24;s25;s26;s27;s28;/rC:-.1754,-.0744,-3.9613;2.2562,1.803,.3648;1.5987,.8497,2.2819;-1.0088,-1.3173,-1.7941;-1.7652,1.893,-1.4058;3.2675,-1.5921,1.3553;2.9895,-1.223,-.0781;3.331,-.1548,.9513;2.1546,-2.1179,2.2314;4.5949,-2.2616,1.6274;1.6377,-1.2734,-.6655;2.2937,.8577,1.3043;1.3179,-.7095,-1.8315;2.2009,.1155,-2.7098;-.0692,-.8163,-2.3462;1.6261,.0868,-4.1269;1.2351,2.8083,.4648;-.073,2.3139,-.0375;-1.0458,1.5237,.655;-.5734,2.4987,-1.2828;-2.0472,1.2963,-.2264;-3.3224,.5345,-.1375;-3.4437,-.1601,1.1908;-4.211,.383,2.2133;-2.7503,-1.3438,1.4277;-4.2912,-.242,3.4499;-2.8266,-1.9691,2.6621;-3.5965,-1.4192,3.678;3.7888,-1.4173,-.7886;4.3192,.2821,.8369;2.3762,-1.9236,3.2805;1.1816,-1.6769,2.0314;2.0688,-3.1983,2.1012;4.5262,-3.3378,1.4613;5.3876,-1.8784,.9827;4.9048,-2.1024,2.6614;.8548,-1.7968,-.1272;3.235,-.2327,-2.7106;2.2127,1.14,-2.3302;2.0068,-.7627,-4.6935;1.8562,.9943,-4.6817;1.1563,3.1653,1.4927;1.5986,3.6296,-.1522;-.9936,1.1704,1.6706;-.2057,3.0272,-2.1479;-4.1717,1.2082,-.2883;-3.3595,-.1964,-.9498;-4.7514,1.3066,2.0424;-2.1447,-1.7692,.6365;-4.8958,.1932,4.2349;-2.2832,-2.8895,2.8325;-3.6555,-1.9083,4.6415; 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 4 372.3086999999997 AuxInfo=1/0/N:9,10,28,26,27,24,25,14,16,22,19,11,20,17,23,18,13,21,7,8,12,15,6,3,4,5,2,1/E:(1,2)(4,5)(6,7)/CRV:3.3,4.3,5.3,6.3,7.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,22.3,24.1,25.1/rA:52nSOO1O1OCCCCCC3C3C3CC3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s2s3s8;s11;s13;s1s4s13;s1s14;s2;s17;s18;s5s18;s5s19;s21;s22;s23;s23;s24;s25;s26s27;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s16;s17;s17;s19;s20;s22;s22;s24;s25;s26;s27;s28;/rC:-.1754,-.0744,-3.9613;2.2562,1.803,.3648;1.5987,.8498,2.2819;-1.0088,-1.3173,-1.7941;-1.7652,1.893,-1.4058;3.2675,-1.5921,1.3553;2.9895,-1.223,-.0781;3.331,-.1548,.9513;2.1546,-2.1179,2.2314;4.5949,-2.2616,1.6274;1.6377,-1.2734,-.6655;2.2937,.8577,1.3043;1.3179,-.7095,-1.8315;2.2009,.1155,-2.7098;-.0692,-.8163,-2.3462;1.6261,.0868,-4.1269;1.2351,2.8083,.4648;-.073,2.3139,-.0375;-1.0458,1.5237,.655;-.5734,2.4987,-1.2828;-2.0472,1.2963,-.2264;-3.3224,.5345,-.1375;-3.4437,-.1601,1.1908;-4.211,.383,2.2133;-2.7503,-1.3438,1.4277;-4.2912,-.242,3.4499;-2.8266,-1.9691,2.6621;-3.5965,-1.4192,3.678;3.7888,-1.4173,-.7886;4.3192,.2821,.8369;2.3762,-1.9236,3.2805;1.1816,-1.6769,2.0314;2.0688,-3.1983,2.1012;4.5262,-3.3378,1.4613;5.3876,-1.8784,.9827;4.9048,-2.1024,2.6614;.8548,-1.7968,-.1272;3.235,-.2327,-2.7106;2.2127,1.14,-2.3302;2.0068,-.7627,-4.6935;1.8562,.9943,-4.6817;1.1563,3.1653,1.4927;1.5986,3.6296,-.1522;-.9936,1.1704,1.6706;-.2057,3.0272,-2.1479;-4.1717,1.2082,-.2883;-3.3595,-.1964,-.9498;-4.7514,1.3066,2.0424;-2.1447,-1.7692,.6365;-4.8958,.1932,4.2349;-2.2832,-2.8895,2.8325;-3.6555,-1.9083,4.6415; -1590.07494648 2891.94248854 -4482.01743502 -7924.34617930 3442.32874428 -3174.35531039 1584.28036391 2.00365755 105.000035440461 105.000035440461 210.000070880922 -135.011601885594 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 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2420.6546 -525.0040 -524.6506 -523.1008 -522.9899 -283.3057 -282.6894 -281.4313 -280.9375 -280.8568 -280.8509 -280.5391 -280.4401 -280.3984 -280.3165 -280.2617 -280.2320 -279.7734 -279.7406 -279.6782 -279.6487 -279.5167 -279.4965 -279.4778 -279.4729 -279.3962 -279.3802 -279.1721 -219.1965 -163.5092 -163.4030 -163.2959 -33.5909 -33.5396 -31.8926 -31.0642 -27.8073 -26.6786 -26.5626 -25.3904 -24.8679 -24.6816 -23.7022 -23.3087 -23.2675 -22.9008 -22.7746 -22.1817 -21.6370 -21.3972 -20.4718 -19.5616 -19.3122 -19.0298 -18.7142 -18.4179 -17.8394 -17.5693 -17.3124 -17.1040 -16.6202 -16.5225 -16.2821 -16.0799 -15.9520 -15.8047 -15.6414 -15.3204 -15.1998 -14.9810 -14.8659 -14.6403 -14.5439 -14.4338 -14.1741 -14.0911 -13.9303 -13.8738 -13.6613 -13.5700 -13.5098 -13.4232 -13.2463 -13.1340 -13.0706 -12.9717 -12.7595 -12.6541 -12.4573 -12.0790 -11.9769 -11.6996 -11.6160 -11.5437 -11.3312 -11.0596 -10.5200 -10.3374 -9.9747 -9.5793 -9.5066 -9.1034 -9.0734 -8.9017 -8.2366 0.2933 1.8687 1.9381 2.1131 2.3770 2.6323 2.8072 3.1729 3.3738 3.4230 3.4944 3.7799 4.0037 4.1485 4.1946 4.3112 4.4664 4.5211 4.5794 4.6586 4.7882 4.8512 4.9530 5.0589 5.1699 5.4020 5.4704 5.4753 5.5848 5.6339 5.8125 6.0251 6.1176 6.1595 6.2332 6.3481 6.4663 6.5254 6.6546 6.8140 6.8486 7.0842 7.1116 7.2022 7.3308 7.3709 7.5109 7.7056 7.7532 7.9432 7.9550 8.0390 8.1584 8.2225 8.4631 8.5949 8.7354 8.8128 8.8398 8.9057 9.0102 9.1417 9.2173 9.2579 9.3995 9.4738 9.6473 9.7020 9.8339 10.0104 10.1407 10.1916 10.2586 10.3723 10.5475 10.6279 10.7617 10.8368 10.8801 10.9626 10.9796 11.1709 11.2963 11.4571 11.5230 11.5985 11.6584 11.7610 11.9700 12.0085 12.0602 12.1437 12.2958 12.3460 12.4578 12.5234 12.5595 12.7124 12.8188 12.8641 12.9920 13.0860 13.1298 13.1779 13.2115 13.3084 13.5093 13.6196 13.6800 13.7721 13.7943 13.9066 14.0201 14.0552 14.1794 14.2195 14.3277 14.3688 14.4685 14.5159 14.6771 14.6879 14.7562 14.8607 14.9127 15.0316 15.1389 15.2660 15.3556 15.5099 15.5681 15.6095 15.7589 15.8262 15.9094 15.9384 16.1625 16.2254 16.3006 16.5072 16.5988 16.6608 16.7295 16.8093 17.0138 17.1299 17.2639 17.4608 17.5200 17.5771 17.7173 17.7905 17.9519 17.9995 18.1600 18.2777 18.4235 18.5026 18.7778 18.8650 19.0571 19.1319 19.2383 19.2440 19.3965 19.6254 19.6699 19.8583 20.0173 20.0554 20.3072 20.4816 20.5911 20.7290 20.8077 20.9560 21.0134 21.1343 21.2693 21.4163 21.5345 21.6066 21.7427 21.8829 22.0610 22.2038 22.3922 22.4660 22.5723 22.7558 22.7937 23.0345 23.1771 23.2583 23.3290 23.5925 23.7309 23.7883 23.8742 24.0330 24.0945 24.2612 24.3429 24.6212 24.7145 24.7772 24.8996 25.1368 25.1640 25.2652 25.3669 25.5288 25.7329 25.7747 25.9187 26.1179 26.2289 26.3716 26.5623 26.6207 26.7419 26.9258 27.0546 27.2654 27.3567 27.3756 27.5095 27.5412 27.7333 27.7979 28.0218 28.1219 28.3130 28.3651 28.4636 28.7184 28.8088 28.9200 29.0180 29.1907 29.2693 29.3733 29.4152 29.4670 29.5984 29.6645 29.8640 29.9110 30.0425 30.2668 30.4732 30.5221 30.5920 30.6729 30.8473 31.0278 31.2824 31.2998 31.3244 31.5427 31.7480 31.7920 31.9045 32.0642 32.2135 32.3196 32.4353 32.5390 32.5407 32.7689 32.9108 33.0503 33.2635 33.3969 33.5021 33.5910 33.6809 33.8279 33.8601 33.9835 34.0992 34.2495 34.5334 34.5493 34.7334 34.8806 34.9219 35.1549 35.2351 35.4182 35.4621 35.7184 35.7746 35.9129 36.0261 36.1228 36.3031 36.4277 36.5616 36.7024 36.8069 36.9908 37.1287 37.2501 37.3540 37.4297 37.5939 37.8485 37.9682 38.0659 38.2560 38.3411 38.4562 38.7176 38.7454 38.8052 38.9646 39.1537 39.2841 39.3054 39.4917 39.6352 39.7016 39.8606 40.1187 40.2106 40.2691 40.3901 40.6018 40.6611 40.7209 40.8999 40.9331 41.0699 41.1945 41.3414 41.4171 41.4861 41.5882 41.7841 41.9269 42.0117 42.1886 42.3039 42.3999 42.5078 42.7895 42.9524 43.0502 43.1649 43.3518 43.4392 43.5264 43.6848 43.7854 44.0397 44.1410 44.1932 44.3266 44.3905 44.5735 44.6317 44.7306 44.8177 45.0977 45.1208 45.3697 45.3977 45.4518 45.5592 45.7077 45.7866 45.9599 46.2084 46.2524 46.3974 46.5702 46.5943 46.8471 46.9627 47.0802 47.1431 47.2290 47.2806 47.4878 47.5882 47.6887 47.9688 48.0771 48.1225 48.2739 48.3884 48.6197 48.6679 48.7611 48.9500 49.0853 49.2035 49.4285 49.8651 49.9657 50.0633 50.1182 50.4045 50.5876 50.6914 50.8449 50.8966 51.0291 51.3344 51.7160 51.8501 51.9182 52.0077 52.4321 52.6069 52.6862 53.0427 53.0645 53.1968 53.4669 53.6863 53.9015 54.1146 54.3470 54.4869 54.7024 54.9705 55.1835 55.5375 55.5950 55.8508 55.9467 56.1600 56.3582 56.5329 56.7472 56.9396 57.1066 57.1399 57.4381 57.7588 57.8472 57.9269 58.1959 58.3789 58.6459 58.7091 58.9062 59.3950 59.5013 59.8065 59.9010 60.1030 60.2245 60.4592 60.5416 60.9250 61.0781 61.1471 61.4215 61.5328 61.8345 62.0422 62.3788 62.5694 62.8476 62.9668 63.2227 63.3876 63.6162 63.8662 64.1049 64.2716 64.4714 64.5592 64.8369 65.1297 65.4165 65.7305 65.8771 65.9247 66.1132 66.4438 66.6516 66.8026 67.1064 67.5491 67.7556 67.9117 67.9591 68.1634 68.3645 68.5182 69.1372 69.4654 69.6043 69.9557 70.1649 70.4145 70.6810 70.8258 70.9251 71.1245 71.1508 71.6285 71.7053 71.8208 72.0480 72.1049 72.2767 72.4050 72.7519 72.8424 72.9909 73.1323 73.3509 74.0207 74.0595 74.4787 74.6576 74.8769 75.0351 75.1970 75.3577 75.4916 75.6650 75.9435 76.0099 76.2428 76.2633 76.8329 76.8828 76.9795 77.1022 77.1354 77.3017 77.3883 77.5240 77.7477 78.0340 78.0879 78.2186 78.4130 78.5238 78.6951 78.8313 78.9558 79.0294 79.1651 79.3239 79.5534 79.6548 79.7073 79.8283 79.9407 80.0141 80.1880 80.3336 80.5417 80.7203 80.8107 80.9444 81.1113 81.2023 81.3930 81.7167 81.8204 81.9515 82.0062 82.0559 82.4558 82.5800 82.6597 82.7713 82.9921 83.2433 83.3858 83.5198 83.6674 83.8753 84.0509 84.1358 84.1983 84.2934 84.4344 84.4766 84.5778 84.7678 84.8006 84.9288 85.0339 85.0939 85.3083 85.3909 85.4845 85.5966 85.6980 85.7338 85.8991 86.0031 86.0781 86.1211 86.3025 86.4516 86.6195 86.6380 86.8364 86.9403 87.0504 87.1452 87.3305 87.3727 87.4265 87.5810 87.7700 87.8357 87.9739 88.1083 88.2817 88.3241 88.4860 88.5635 88.6553 88.7635 88.9749 89.0492 89.1887 89.2575 89.3262 89.5034 89.5228 89.6256 89.6821 89.8210 89.9399 90.0575 90.1544 90.3293 90.3873 90.6743 90.8989 91.1964 91.2821 91.4970 91.5773 91.7031 91.7752 91.9261 92.0104 92.0862 92.2772 92.3183 92.4825 92.6832 92.7984 92.9824 93.0282 93.0744 93.1464 93.2614 93.3212 93.4831 93.7320 93.8136 93.8533 94.0494 94.0806 94.2166 94.2249 94.3063 94.6188 94.7633 94.8579 94.9655 95.0397 95.2331 95.3020 95.3439 95.5237 95.6371 95.6768 95.9387 95.9600 96.0844 96.1464 96.2346 96.2506 96.3720 96.4338 96.6338 96.7460 96.9237 97.2453 97.3059 97.3827 97.5427 97.8262 97.8930 98.0227 98.1032 98.2397 98.3954 98.5919 98.7344 98.8917 99.0208 99.0560 99.1034 99.4809 99.4962 99.6780 99.8583 99.9548 100.0815 100.2064 100.3806 100.3957 100.7490 100.8363 101.0928 101.1699 101.2351 101.4028 101.5008 101.6809 101.8653 102.0404 102.2270 102.3636 102.4753 102.5389 102.7131 102.8405 102.9894 103.1389 103.2707 103.4222 103.5351 103.6061 103.8127 103.9667 104.0207 104.1643 104.4089 104.5807 104.8452 104.9848 105.1196 105.3455 105.3604 105.4944 105.6512 105.8801 105.9744 106.1022 106.3858 106.4122 106.6234 106.6937 106.8034 107.0625 107.1501 107.4088 107.4601 107.5519 107.6329 107.6708 107.8666 107.9903 108.2402 108.2899 108.5355 108.6782 108.8933 108.9395 109.1512 109.3306 109.5040 109.6016 109.6910 109.9181 109.9639 110.1100 110.2469 110.3358 110.5977 110.7913 110.9245 111.1509 111.3726 111.4161 111.5275 111.6739 111.7559 111.9566 112.0893 112.2781 112.4728 112.5882 112.8197 112.8741 112.9711 113.2325 113.2813 113.3611 113.5331 113.7249 114.0045 114.1600 114.4664 114.5682 114.7196 114.7415 114.9087 115.0629 115.2961 115.4559 115.5610 115.7222 115.8454 115.9474 115.9902 116.2879 116.5093 116.5864 116.6203 116.7287 116.8294 117.0332 117.2408 117.2756 117.5111 117.6094 117.6825 117.8371 117.9211 118.0752 118.2259 118.3660 118.4631 118.6593 118.7127 118.9885 119.0119 119.0407 119.1508 119.3591 119.3770 119.4932 119.6821 119.7969 120.0570 120.3520 120.4404 120.6541 120.7350 120.9447 121.0195 121.1850 121.5240 121.6467 122.0656 122.3064 122.5300 122.5926 122.7968 123.2277 123.2745 123.5172 123.5761 123.8556 124.1155 124.2531 124.5775 124.7326 124.9255 125.1158 125.1676 125.5657 125.7331 126.0567 126.3233 126.5356 126.9092 127.1255 127.3558 127.6769 127.9555 127.9695 128.1848 128.5164 128.7604 129.0071 129.0761 129.2695 129.5032 129.8908 130.1332 130.1669 130.4157 130.5238 130.6208 130.7616 131.0228 131.1733 131.5358 131.8391 132.1239 132.2547 132.3429 132.5164 132.6732 132.7533 133.0513 133.2817 133.3804 133.4658 133.8374 133.9122 134.1277 134.3020 134.3648 134.5558 134.8498 135.0414 135.7080 135.9479 136.0267 136.0816 136.4565 136.8339 136.8962 137.2903 137.6267 137.7467 138.1818 138.3871 138.5931 138.7334 138.9875 139.1093 139.4332 139.5906 140.0725 140.2480 140.6544 141.0112 141.2412 141.3593 141.4605 141.8105 142.2519 142.3831 142.7975 142.9063 143.1957 143.3928 143.4417 143.6946 144.0092 144.2091 144.4579 144.5224 144.7412 144.9994 145.3332 145.3734 145.4175 145.6320 145.7540 145.9271 146.1170 146.4304 146.6219 147.2325 147.3033 147.5931 147.7415 148.0311 148.5074 148.7696 148.9254 149.0273 149.1275 149.3205 149.5345 149.6149 150.0350 150.3055 150.4801 150.6826 150.8965 151.1890 151.6801 151.6961 151.8136 152.2729 152.6158 152.6747 152.9988 153.1195 153.4324 153.5190 153.5546 153.7124 154.0299 154.6612 154.8200 155.1316 155.4090 155.8785 156.1266 156.4584 156.6593 156.7260 157.1868 157.5370 158.0405 158.4599 158.6618 158.7962 159.3045 159.4412 159.5047 159.6579 160.0087 160.4563 161.2442 161.3340 161.7112 162.1237 162.7456 163.0312 163.8536 164.4748 164.9693 165.5665 168.3754 168.8692 169.0612 170.1027 171.2089 171.8588 172.2168 174.3344 175.4458 176.6580 178.0090 178.6358 179.4941 180.1173 180.7553 181.7226 181.9079 185.2428 185.7057 186.4186 187.2362 188.2289 188.8201 189.2290 189.3119 189.7428 189.9532 190.2733 190.5236 190.7806 191.7629 193.7326 195.7951 196.2329 196.8372 199.0605 201.5367 202.0578 204.1342 205.0280 207.2530 247.1285 260.2085 260.9697 543.7169 621.1428 622.0569 624.5348 626.0850 633.2012 633.2378 633.8735 634.4600 635.2271 635.5063 636.5247 637.2075 637.5019 639.5946 640.7723 641.6474 642.8636 643.2574 645.1854 647.8771 650.9929 653.1002 660.0149 1201.1620 1201.4314 1207.7582 1211.0467 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 S O O O O C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H -0.032710 -0.259901 -0.354125 -0.349296 -0.243948 0.104841 -0.086388 -0.058168 -0.242846 -0.246369 -0.013303 0.314551 -0.159398 -0.132303 0.268467 -0.141392 0.025798 -0.041096 -0.222535 -0.083884 0.168933 -0.051445 0.011635 -0.149430 -0.165471 -0.126937 -0.121769 -0.124503 0.085119 0.084721 0.095921 0.072210 0.090902 0.090399 0.068905 0.095296 0.128099 0.082700 0.093375 0.104266 0.100592 0.123996 0.105355 0.156603 0.133971 0.089863 0.108995 0.103919 0.135499 0.121241 0.119577 0.121471 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 S O O O O C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 16.0327 8.2599 8.3541 8.3493 8.2439 5.8952 6.0864 6.0582 6.2428 6.2464 6.0133 5.6854 6.1594 6.1323 5.7315 6.1414 5.9742 6.0411 6.2225 6.0839 5.8311 6.0514 5.9884 6.1494 6.1655 6.1269 6.1218 6.1245 0.9149 0.9153 0.9041 0.9278 0.9091 0.9096 0.9311 0.9047 0.8719 0.9173 0.9066 0.8957 0.8994 0.8760 0.8946 0.8434 0.8660 0.9101 0.8910 0.8961 0.8645 0.8788 0.8804 0.8785 16.0000 8.0000 8.0000 8.0000 8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0327 -0.2599 -0.3541 -0.3493 -0.2439 0.1048 -0.0864 -0.0582 -0.2428 -0.2464 -0.0133 0.3146 -0.1594 -0.1323 0.2685 -0.1414 0.0258 -0.0411 -0.2225 -0.0839 0.1689 -0.0514 0.0116 -0.1494 -0.1655 -0.1269 -0.1218 -0.1245 0.0851 0.0847 0.0959 0.0722 0.0909 0.0904 0.0689 0.0953 0.1281 0.0827 0.0934 0.1043 0.1006 0.1240 0.1054 0.1566 0.1340 0.0899 0.1090 0.1039 0.1355 0.1212 0.1196 0.1215 2.4256 2.1085 2.1372 2.1412 2.2890 3.8559 3.8609 3.8156 3.9366 3.8982 3.7604 4.2474 3.6205 3.9513 4.1562 3.9933 3.8682 3.6130 3.9481 3.9651 3.6670 3.8353 3.6947 3.9922 3.9401 3.9650 3.9590 3.9569 1.0069 1.0243 1.0084 1.0151 0.9987 1.0049 1.0066 1.0046 1.0105 1.0115 1.0185 1.0022 1.0057 1.0051 0.9984 1.0132 1.0136 1.0115 1.0181 1.0118 1.0209 1.0009 1.0032 1.0001 2.4256 2.1085 2.1372 2.1412 2.2890 3.8559 3.8609 3.8156 3.9366 3.8982 3.7604 4.2474 3.6205 3.9513 4.1562 3.9933 3.8682 3.6130 3.9481 3.9651 3.6670 3.8353 3.6947 3.9922 3.9401 3.9650 3.9590 3.9569 1.0069 1.0243 1.0084 1.0151 0.9987 1.0049 1.0066 1.0046 1.0105 1.0115 1.0185 1.0022 1.0057 1.0051 0.9984 1.0132 1.0136 1.0115 1.0181 1.0118 1.0209 1.0009 1.0032 1.0001 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.2255 1.0331 1.1726 0.8619 2.0053 1.9568 1.1283 1.0594 0.9413 0.9679 0.9526 0.9389 0.8876 0.9612 1.0067 0.9524 0.9887 0.9855 0.9911 0.9945 0.9960 0.9796 0.9953 1.7120 0.9817 0.9603 0.9974 0.9578 0.9924 0.9859 0.9839 0.9905 0.9004 1.0124 1.0029 1.2177 1.6133 1.6408 0.9530 1.0082 0.9355 0.8461 1.0172 1.0161 1.3974 1.3739 1.4561 0.9793 1.4542 0.9619 1.4360 0.9784 1.4220 0.9797 0.9758 0 14 0 15 1 11 1 16 2 11 3 14 4 19 4 20 5 6 5 7 5 8 5 9 6 7 6 10 6 28 7 11 7 29 8 30 8 31 8 32 9 33 9 34 9 35 10 12 10 36 12 13 12 14 13 15 13 37 13 38 15 39 15 40 16 17 16 41 16 42 17 18 17 19 18 20 18 43 19 44 20 21 21 22 21 45 21 46 22 23 22 24 23 25 23 47 24 26 24 48 25 27 25 49 26 27 26 50 27 51 -0.032833540 -1590.107780018280 13.67521 -11.80892 1.86629 -8.69964 9.02746 0.32781 11.76142 -12.23519 -0.47376 1.95319 4.96461