Orca 5.0.2 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 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 47 48 49 50 51 52 53 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 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 H H H 1 1 1 1 1 2 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 4 4 4 346.22839999999974 AuxInfo=1/0/N:27,25,23,17,26,24,22,10,11,8,9,19,21,18,12,16,14,13,15,20,7,6,3,5,1,4,2/E:(8,9)(10,11)/CRV:6.3,7.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1/rA:54nOOO1OO1NCCCCCCC3C3C3C3CC3C3C3C3C3CC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s7;s7;s8;s9;s1s10s11;s2s7;s13;s3s6s14;s14;s1;s16;s16;s2s4s5;s19;s18;s18;s21s22;s21;s4;s26;s8;s8;s9;s9;s10;s10;s11;s11;s12;s6;s17;s17;s17;s19;s22;s23;s23;s23;s24;s25;s25;s25;s26;s26;s27;s27;s27;/rC:5.9255,.0171,.1263;-.1355,.91,1.0329;.0248,-3.0482,-1.5617;-1.4581,2.5357,1.4559;-1.2138,1.8933,-.6909;1.6176,-1.6315,-.7025;1.6955,-.4092,.0613;2.472,-.5983,1.3727;2.3204,.7359,-.7501;3.9584,-.8225,1.1213;3.8074,.5037,-1.0003;4.5664,.3141,.3127;.2338,-.1716,.3019;-.551,-1.1055,-.2291;.3459,-2.0733,-.9279;-2.0122,-1.2054,-.2099;6.7112,1.0845,-.3197;-2.7336,-1.242,.9878;-2.6837,-1.2563,-1.4312;-.9822,1.8018,.4741;-4.0659,-1.3086,-1.5061;-4.1234,-1.2971,.9051;-2.0762,-1.2433,2.3385;-4.7798,-1.3213,-.3108;-4.775,-1.3734,-2.8272;-2.3799,3.5749,1.103;-1.6788,4.8172,.6016;2.0463,-1.4393,1.9237;2.3367,.2907,1.9956;2.1924,1.6717,-.1977;1.7822,.8485,-1.6926;4.4832,-.915,2.0742;4.1195,-1.7679,.5924;3.9598,-.3761,-1.6347;4.2054,1.3532,-1.5605;4.463,1.2456,.8989;2.4177,-2.1255,-1.0568;6.4857,1.3894,-1.3482;6.6095,1.9696,.3221;7.7515,.7623,-.289;-2.1038,-1.2401,-2.3452;-4.7023,-1.3301,1.8207;-2.7067,-1.75,3.0687;-1.1139,-1.7541,2.3258;-1.9021,-.2327,2.7119;-5.8627,-1.3625,-.3314;-5.1742,-2.3726,-3.0109;-5.6143,-.678,-2.8665;-4.1072,-1.1332,-3.6532;-2.9161,3.7806,2.0279;-3.0974,3.2029,.3704;-1.1697,4.6409,-.3442;-.9557,5.1855,1.3287;-2.4154,5.6045,.4384; 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 1620 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 200 Dim 1215 ENuc 2635.2081549303 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 4.656e-06 Time for diagonalization 0.333 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.232 sec Total time needed 0.574 sec 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 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 1 1 1 346.22839999999974 AuxInfo=1/0/N:27,25,23,17,26,24,22,10,11,8,9,19,21,18,12,16,14,13,15,20,7,6,3,5,1,4,2/E:(8,9)(10,11)/CRV:6.3,7.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1/rA:54nOOO1OO1NCCCCCCC3C3C3C3CC3C3C3C3C3CC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s7;s7;s8;s9;s1s10s11;s2s7;s13;s3s6s14;s14;s1;s16;s16;s2s4s5;s19;s18;s18;s21s22;s21;s4;s26;s8;s8;s9;s9;s10;s10;s11;s11;s12;s6;s17;s17;s17;s19;s22;s23;s23;s23;s24;s25;s25;s25;s26;s26;s27;s27;s27;/rC:5.9255,.0171,.1263;-.1355,.91,1.0329;.0248,-3.0482,-1.5617;-1.4581,2.5357,1.4559;-1.2138,1.8933,-.6909;1.6176,-1.6315,-.7025;1.6955,-.4092,.0613;2.472,-.5983,1.3727;2.3204,.7359,-.7501;3.9584,-.8225,1.1213;3.8074,.5037,-1.0003;4.5664,.3141,.3127;.2338,-.1716,.3019;-.551,-1.1055,-.2291;.3459,-2.0733,-.9279;-2.0122,-1.2054,-.2099;6.7112,1.0845,-.3197;-2.7336,-1.242,.9878;-2.6837,-1.2563,-1.4312;-.9822,1.8018,.4741;-4.0659,-1.3086,-1.5061;-4.1234,-1.2971,.9051;-2.0762,-1.2433,2.3385;-4.7798,-1.3213,-.3108;-4.775,-1.3734,-2.8272;-2.3799,3.5749,1.103;-1.6788,4.8172,.6016;2.0463,-1.4393,1.9237;2.3367,.2907,1.9956;2.1924,1.6717,-.1977;1.7822,.8485,-1.6926;4.4832,-.915,2.0742;4.1195,-1.7679,.5924;3.9598,-.3761,-1.6347;4.2054,1.3532,-1.5605;4.463,1.2456,.8989;2.4177,-2.1255,-1.0568;6.4857,1.3894,-1.3482;6.6095,1.9696,.3221;7.7515,.7623,-.289;-2.1038,-1.2401,-2.3452;-4.7023,-1.3301,1.8207;-2.7067,-1.75,3.0687;-1.1139,-1.7541,2.3258;-1.9021,-.2327,2.7119;-5.8627,-1.3625,-.3314;-5.1742,-2.3726,-3.0109;-5.6143,-.678,-2.8665;-4.1072,-1.1332,-3.6532;-2.9161,3.7806,2.0279;-3.0974,3.2029,.3704;-1.1697,4.6409,-.3442;-.9557,5.1855,1.3287;-2.4154,5.6045,.4384; 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 4 346.22839999999974 AuxInfo=1/0/N:27,25,23,17,26,24,22,10,11,8,9,19,21,18,12,16,14,13,15,20,7,6,3,5,1,4,2/E:(8,9)(10,11)/CRV:6.3,7.3,12.3,13.3,14.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1/rA:54nOOO1OO1NCCCCCCC3C3C3C3CC3C3C3C3C3CC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s7;s7;s8;s9;s1s10s11;s2s7;s13;s3s6s14;s14;s1;s16;s16;s2s4s5;s19;s18;s18;s21s22;s21;s4;s26;s8;s8;s9;s9;s10;s10;s11;s11;s12;s6;s17;s17;s17;s19;s22;s23;s23;s23;s24;s25;s25;s25;s26;s26;s27;s27;s27;/rC:5.9255,.0171,.1263;-.1355,.91,1.0329;.0248,-3.0482,-1.5617;-1.4581,2.5357,1.4559;-1.2138,1.8933,-.6909;1.6176,-1.6315,-.7025;1.6955,-.4092,.0613;2.472,-.5983,1.3727;2.3204,.7359,-.7501;3.9584,-.8225,1.1213;3.8074,.5037,-1.0003;4.5664,.3141,.3127;.2338,-.1716,.3019;-.551,-1.1055,-.2291;.3459,-2.0733,-.9279;-2.0122,-1.2054,-.2099;6.7112,1.0845,-.3197;-2.7336,-1.242,.9878;-2.6837,-1.2563,-1.4312;-.9822,1.8018,.4741;-4.0659,-1.3086,-1.5061;-4.1234,-1.2971,.9051;-2.0762,-1.2433,2.3385;-4.7798,-1.3213,-.3108;-4.775,-1.3734,-2.8272;-2.3799,3.5749,1.103;-1.6788,4.8172,.6016;2.0463,-1.4393,1.9237;2.3367,.2907,1.9956;2.1924,1.6717,-.1977;1.7822,.8485,-1.6926;4.4832,-.915,2.0742;4.1195,-1.7679,.5924;3.9598,-.3761,-1.6347;4.2054,1.3532,-1.5605;4.463,1.2456,.8989;2.4177,-2.1255,-1.0568;6.4857,1.3894,-1.3482;6.6095,1.9696,.3221;7.7515,.7623,-.289;-2.1038,-1.2401,-2.3452;-4.7023,-1.3301,1.8207;-2.7067,-1.75,3.0687;-1.1139,-1.7541,2.3258;-1.9021,-.2327,2.7119;-5.8627,-1.3625,-.3314;-5.1742,-2.3726,-3.0109;-5.6143,-.678,-2.8665;-4.1072,-1.1332,-3.6532;-2.9161,3.7806,2.0279;-3.0974,3.2029,.3704;-1.1697,4.6409,-.3442;-.9557,5.1855,1.3287;-2.4154,5.6045,.4384; -1247.52887411 2635.20815493 -3882.73702904 -6938.12186502 3055.38483598 -2489.68417597 1242.15530187 2.00432601 99.999911691739 99.999911691739 199.999823383477 -120.049419084482 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -525.4059 -525.0957 -523.5655 -523.2768 -522.1243 -392.9401 -284.8078 -282.3016 -281.8265 -281.6048 -281.4063 -281.2169 -280.8365 -280.0147 -279.9857 -279.9742 -279.8700 -279.8433 -279.8121 -279.7694 -279.7604 -279.6851 -279.4527 -279.4352 -279.3944 -279.3400 -279.2814 -35.1462 -32.8529 -31.7195 -31.5919 -31.4046 -29.2230 -26.7726 -26.0779 -25.4218 -24.7311 -24.3912 -24.0055 -23.9268 -23.1950 -22.6348 -22.2213 -21.8134 -20.8325 -20.5423 -20.2492 -20.0200 -19.7002 -19.0639 -18.8077 -18.3821 -18.2260 -17.2764 -17.0433 -16.7971 -16.5680 -16.5493 -16.0545 -15.9668 -15.7992 -15.6062 -15.4336 -15.3956 -15.1295 -14.9363 -14.8659 -14.5562 -14.3251 -14.2505 -14.1715 -13.9498 -13.8376 -13.8271 -13.7768 -13.4265 -13.4009 -13.3260 -13.3123 -13.2053 -13.0308 -12.6896 -12.5860 -12.4300 -12.3653 -12.2099 -11.8669 -11.8491 -11.7417 -11.6124 -11.4039 -11.2574 -11.1147 -11.0185 -9.8943 -9.7654 -9.4866 -9.4166 -8.7592 -8.4640 1.0967 1.9928 2.1142 2.7248 2.9843 3.1352 3.1820 3.4598 3.6305 3.7347 3.7799 4.0093 4.1624 4.4007 4.4474 4.4769 4.5901 4.6644 4.7920 4.9481 5.1191 5.1336 5.2021 5.2368 5.3084 5.4807 5.5499 5.5695 5.7304 5.7469 5.8469 6.0120 6.0772 6.1447 6.3290 6.3831 6.5822 6.6060 6.7147 6.9404 6.9779 7.1866 7.2913 7.3354 7.4738 7.5295 7.6525 7.7916 7.8409 8.0113 8.0592 8.2079 8.2245 8.3414 8.4357 8.5352 8.6110 8.6812 8.8007 9.1012 9.1602 9.2865 9.4501 9.4997 9.6334 9.7711 9.8861 9.9945 10.1133 10.2331 10.3740 10.4238 10.5018 10.6880 10.7355 10.9098 10.9323 11.0927 11.2039 11.2567 11.3907 11.4811 11.5636 11.7312 11.7605 12.0408 12.1225 12.1613 12.2812 12.4434 12.5653 12.6128 12.6371 12.7243 12.8181 12.9067 13.0346 13.0831 13.1126 13.1981 13.3311 13.3719 13.4687 13.4862 13.6366 13.6753 13.7233 13.8266 13.9088 13.9815 14.0844 14.2588 14.3092 14.3378 14.4264 14.4778 14.5668 14.6828 14.7108 14.7931 14.9406 15.0174 15.0610 15.1540 15.2910 15.3348 15.4245 15.4982 15.6136 15.6355 15.7180 15.7989 15.9507 15.9968 16.0303 16.1501 16.3230 16.3369 16.5558 16.6600 16.7397 16.8374 17.0064 17.0523 17.2184 17.2885 17.3537 17.4314 17.6017 17.7090 17.8573 18.0350 18.1476 18.2514 18.3539 18.6671 18.9276 19.0799 19.2575 19.3189 19.4973 19.7677 19.8513 19.9323 20.1099 20.1649 20.3518 20.4022 20.5959 20.8899 20.9687 21.0575 21.1738 21.3718 21.5173 21.5870 21.6888 21.8399 21.8945 22.0571 22.1981 22.3968 22.5451 22.7723 22.9592 23.0072 23.1595 23.2354 23.4643 23.5348 23.6601 23.9269 23.9683 24.0760 24.1745 24.3092 24.4570 24.5358 24.6616 24.8947 25.1630 25.2329 25.3042 25.3969 25.5174 25.6061 25.7970 25.9690 26.0815 26.2820 26.3816 26.4305 26.6035 26.8211 26.9141 26.9801 27.0285 27.2041 27.2197 27.3141 27.3590 27.6094 27.7243 27.8555 27.9228 27.9926 28.0172 28.2431 28.3415 28.5007 28.6620 28.7569 28.8896 28.9777 29.1011 29.2209 29.3848 29.5016 29.6387 29.7910 29.9588 30.0288 30.3355 30.4673 30.6010 30.7073 30.8644 30.9040 31.0883 31.1691 31.3374 31.3682 31.4707 31.6234 31.6842 31.8454 31.9646 32.1248 32.1695 32.2959 32.4713 32.6857 32.8854 33.0226 33.0726 33.2920 33.3748 33.4261 33.5641 33.6396 33.9024 33.9243 34.0471 34.1225 34.2029 34.4253 34.4998 34.5122 34.6779 34.8435 35.0103 35.1381 35.2529 35.4570 35.5007 35.5509 35.6248 35.6997 35.9029 36.0561 36.2093 36.3705 36.6108 36.7048 36.8877 36.9752 37.1942 37.3094 37.4322 37.6198 37.6281 37.9642 38.0418 38.1009 38.2168 38.3851 38.4994 38.7743 38.9223 39.1146 39.3115 39.4518 39.5557 39.6192 39.7528 39.8656 40.0422 40.2501 40.3116 40.4217 40.5145 40.5878 40.6614 40.8670 40.9483 41.0407 41.1508 41.1831 41.2792 41.4883 41.5118 41.5737 41.6866 41.8478 41.9848 42.2201 42.3044 42.4307 42.4949 42.5562 42.6910 42.8046 42.8264 42.8699 43.0357 43.1881 43.3374 43.4895 43.5460 43.6871 43.7774 43.8670 44.0681 44.0983 44.3488 44.4719 44.5331 44.6877 44.8909 45.0428 45.1164 45.1855 45.2220 45.2997 45.5463 45.8621 46.0965 46.2352 46.3289 46.4959 46.5897 46.7425 46.8591 46.9652 47.3293 47.4416 47.5695 47.8334 47.9110 47.9759 48.0830 48.2702 48.5282 48.8013 48.9069 49.1856 49.4251 49.5692 49.7007 49.8468 50.0588 50.2585 50.3113 50.5802 50.6921 51.0051 51.3128 51.6039 51.6658 51.9146 52.0872 52.1724 52.6061 52.6853 52.9595 53.2131 53.5587 53.9071 54.0744 54.3737 54.5958 54.7686 54.8927 55.0997 55.4768 55.6200 55.7521 55.9875 56.0116 56.2066 56.2485 56.7707 57.0253 57.1857 57.4643 57.7256 57.8696 58.1876 58.3863 58.6028 58.6938 58.7719 58.9816 59.1844 59.3580 59.5841 59.7462 60.0694 60.1664 60.3834 60.6450 60.7214 60.8104 61.0299 61.3707 61.6117 61.8112 61.9705 62.2766 62.4638 62.6311 62.7841 63.0099 63.1115 63.4866 64.0369 64.4111 64.6064 64.6635 64.8298 65.1985 65.4218 65.4894 65.5809 65.9372 65.9930 66.2187 66.4955 66.7554 67.0571 67.2186 67.3091 67.5873 67.8419 68.1349 68.2742 68.7157 69.0035 69.3897 69.5546 69.6926 69.8477 70.0355 70.1268 70.3979 70.7020 70.9363 71.2102 71.3289 71.4981 71.5759 71.8703 72.1640 72.2714 72.5196 72.5711 72.6712 72.7338 72.9426 73.2211 73.3920 73.4469 73.7045 73.7567 73.9416 74.1601 74.3910 74.6451 74.7891 75.2716 75.5437 75.9138 76.1373 76.3936 76.6394 76.7172 77.0360 77.0850 77.2606 77.6268 77.6588 77.7749 77.8693 77.9869 78.1472 78.2773 78.4079 78.4702 78.6370 78.7536 78.8897 78.9287 79.1003 79.2082 79.4973 79.5325 79.6351 79.8253 79.9584 80.1158 80.2965 80.4623 80.5633 80.6704 80.7467 80.7850 81.0458 81.1407 81.3498 81.4033 81.4820 81.6759 81.8757 81.9421 82.0273 82.1238 82.2616 82.3290 82.5645 82.6039 82.8369 82.9243 82.9817 83.1972 83.2225 83.3562 83.6161 83.7018 83.9163 83.9658 84.1661 84.2482 84.3897 84.6595 84.7085 84.7402 84.9371 85.0762 85.1397 85.3523 85.4627 85.5591 85.7425 85.7566 85.8348 85.9667 86.1093 86.1902 86.2995 86.5690 86.6603 86.7504 86.8820 86.9614 87.0316 87.1789 87.1878 87.4683 87.6132 87.7155 87.7419 88.0675 88.2306 88.2765 88.3323 88.6343 88.7025 88.7983 88.9101 89.0884 89.2208 89.2966 89.3155 89.4674 89.6128 89.7765 89.8981 90.0477 90.1885 90.3002 90.4928 90.5154 90.6066 90.8883 90.9542 91.0682 91.1764 91.2686 91.3821 91.5032 91.6959 91.7408 91.9804 92.0911 92.1286 92.3976 92.5294 92.6584 92.8152 92.8952 93.0734 93.1713 93.3287 93.4018 93.5151 93.5452 93.6164 93.7588 93.8929 93.9975 94.2509 94.3490 94.3895 94.5150 94.7330 94.8247 94.8914 95.0005 95.1805 95.3825 95.5389 95.5859 95.7082 95.7570 95.8243 96.0630 96.1421 96.3138 96.4652 96.5248 96.7044 96.8111 97.0842 97.3425 97.5106 97.6089 97.6946 97.7668 97.9018 98.0796 98.1588 98.2890 98.4588 98.5950 98.8029 98.9400 99.1018 99.1508 99.2704 99.3946 99.5030 99.6440 99.8488 99.8629 99.9077 100.0980 100.2376 100.2861 100.4167 100.6259 100.7149 100.7836 101.0749 101.1899 101.2416 101.2956 101.4964 101.5909 101.6796 101.8670 101.9548 102.0580 102.3403 102.4598 102.5546 102.6066 102.8889 102.9023 103.1657 103.4071 103.5963 103.7781 103.9649 104.2072 104.2642 104.5019 104.6113 104.6652 105.1065 105.1437 105.3749 105.4381 105.4847 105.6983 105.7525 105.8835 106.2154 106.2919 106.3892 106.6329 106.7605 106.9623 106.9766 107.3179 107.4766 107.6365 107.8125 108.0449 108.1176 108.2625 108.5070 108.7046 108.8283 108.9369 109.0442 109.0861 109.3468 109.4206 109.5073 109.6293 109.8388 110.0496 110.1445 110.2442 110.4515 110.5281 110.6103 110.7076 110.7740 110.9942 111.1245 111.2876 111.5310 111.6485 111.6992 111.8100 111.9035 112.0193 112.1117 112.2299 112.5207 112.5506 112.6175 112.7169 112.8715 112.9879 113.0480 113.1873 113.4730 113.5858 113.8101 113.9298 113.9873 114.2325 114.3567 114.5559 114.6602 114.8093 114.8704 114.9302 115.2255 115.3179 115.4169 115.5070 115.7533 115.8071 115.9456 115.9598 116.3307 116.4806 116.6023 116.7902 116.8359 116.9388 117.1909 117.4026 117.6728 117.7618 118.0642 118.2680 118.3114 118.4042 118.4218 118.6171 118.7909 118.8792 119.0005 119.1963 119.2764 119.4054 119.5642 119.9054 120.0449 120.0814 120.2890 120.3772 120.5757 120.7874 120.8380 120.8957 121.1526 121.3475 121.5156 121.6476 121.7935 121.9154 121.9750 122.2197 122.7118 122.8812 123.0253 123.0688 123.4173 123.6019 123.8047 123.9615 124.1019 124.2403 124.6247 124.7808 124.9914 125.2946 125.4869 125.8081 125.9987 126.1429 126.2809 126.3754 126.3929 126.8143 126.9027 127.1473 127.4604 127.5942 127.6746 127.7040 127.9619 128.0821 128.2047 128.4033 128.5579 128.8932 129.1903 129.5768 129.7327 129.8847 130.0319 130.2359 130.3101 130.5050 130.7117 130.7992 131.1987 131.4340 132.0021 132.2839 132.4730 132.8293 133.1130 133.3540 133.6487 133.6902 133.7912 133.9266 134.0496 134.0852 134.1328 134.1953 134.5368 134.8134 134.9033 135.1348 135.4514 135.5503 136.0253 136.3269 136.3959 136.4905 136.5935 136.8522 136.8940 137.0468 137.4428 137.6010 137.7511 138.0027 138.3711 138.4249 138.4856 138.5420 138.7578 138.9310 139.1716 139.7289 139.7804 140.2600 140.4614 140.6779 140.9533 141.0964 141.2882 141.5285 141.6383 142.2141 142.4781 142.5616 142.6776 142.7887 143.2214 143.4237 143.5007 143.9145 143.9753 144.3279 144.4578 144.7437 144.8708 144.9340 145.3682 145.6946 145.8831 145.9379 146.3623 146.5323 146.8151 146.9905 147.0871 147.1850 147.3555 147.4767 147.5919 147.7692 147.9449 148.0813 148.1293 148.1911 148.3222 149.2357 149.3671 149.4902 149.6763 149.9572 150.0568 150.2919 150.3688 150.5301 150.7732 150.8859 151.1096 151.2780 151.4151 151.5009 151.7791 152.0721 152.2610 152.4874 152.6292 152.7068 152.9246 153.0608 153.2019 153.5474 154.0694 154.2643 154.4421 154.6425 154.7911 155.0903 155.1525 155.3017 155.8708 156.1606 156.6024 156.6928 156.7645 157.0309 157.2644 157.4522 157.5358 157.7135 157.9355 158.0246 158.2135 158.6043 158.8323 158.9997 159.0754 159.4113 159.7233 160.2418 160.7429 161.1361 161.2078 162.0029 162.1261 162.9621 163.3178 163.5829 164.1720 165.2825 165.4388 165.5055 167.9563 168.2864 169.3315 169.7117 170.5966 171.4602 171.8265 172.1538 173.5976 174.5314 174.9537 176.4336 176.8363 177.7876 178.2266 178.5271 178.9192 179.7796 180.2442 180.8057 182.8738 183.3542 184.2811 185.9654 186.4334 186.9447 187.4449 188.9549 189.6278 189.8510 190.7221 192.5619 192.5981 192.8958 194.8248 195.3549 196.3428 197.4218 198.2353 199.5769 201.8723 202.3899 205.7326 206.1628 207.1169 210.2416 619.9282 624.7886 629.6207 632.9591 634.1798 635.5035 636.7829 636.9432 638.0831 641.9049 642.3915 642.7974 643.1864 643.9717 644.4376 645.5885 645.6995 646.3884 647.5108 648.4578 661.0616 904.9256 1199.9741 1201.5214 1208.7436 1211.5246 1215.1134 -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 52 53 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 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 H H H -0.312350 -0.328243 -0.359842 -0.269773 -0.343040 -0.241897 0.529949 -0.244856 -0.279703 -0.198847 -0.198944 0.191869 0.054588 0.155403 0.184272 0.023933 -0.118843 -0.127447 -0.099829 0.470118 -0.049366 -0.085837 -0.242312 -0.127383 -0.227143 0.030323 -0.253751 0.092661 0.087766 0.083047 0.108135 0.083085 0.078675 0.084748 0.080109 0.041508 0.137250 0.078872 0.076423 0.112482 0.091598 0.101888 0.091902 0.095584 0.097020 0.108069 0.100876 0.086967 0.082376 0.099876 0.096555 0.100266 0.085479 0.085733 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 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 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 H H H 8.3124 8.3282 8.3598 8.2698 8.3430 7.2419 5.4701 6.2449 6.2797 6.1988 6.1989 5.8081 5.9454 5.8446 5.8157 5.9761 6.1188 6.1274 6.0998 5.5299 6.0494 6.0858 6.2423 6.1274 6.2271 5.9697 6.2538 0.9073 0.9122 0.9170 0.8919 0.9169 0.9213 0.9153 0.9199 0.9585 0.8628 0.9211 0.9236 0.8875 0.9084 0.8981 0.9081 0.9044 0.9030 0.8919 0.8991 0.9130 0.9176 0.9001 0.9034 0.8997 0.9145 0.9143 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 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 1.0000 1.0000 1.0000 -0.3124 -0.3282 -0.3598 -0.2698 -0.3430 -0.2419 0.5299 -0.2449 -0.2797 -0.1988 -0.1989 0.1919 0.0546 0.1554 0.1843 0.0239 -0.1188 -0.1274 -0.0998 0.4701 -0.0494 -0.0858 -0.2423 -0.1274 -0.2271 0.0303 -0.2538 0.0927 0.0878 0.0830 0.1081 0.0831 0.0787 0.0847 0.0801 0.0415 0.1372 0.0789 0.0764 0.1125 0.0916 0.1019 0.0919 0.0956 0.0970 0.1081 0.1009 0.0870 0.0824 0.0999 0.0966 0.1003 0.0855 0.0857 2.0301 2.0970 2.1811 2.1455 2.1509 3.2166 3.4912 3.9611 4.0085 3.8922 3.7909 3.8519 3.9317 3.2332 4.4129 3.4133 3.9483 3.8044 3.9966 4.3994 3.8572 3.9295 3.9301 3.9696 3.9186 3.8838 3.9157 1.0211 1.0191 1.0160 1.0220 1.0274 1.0284 1.0250 1.0198 1.0084 1.0424 0.9814 0.9911 0.9953 1.0274 1.0089 1.0063 1.0035 1.0031 1.0046 0.9923 0.9986 1.0091 0.9956 1.0062 1.0117 1.0047 1.0101 2.0301 2.0970 2.1811 2.1455 2.1509 3.2166 3.4912 3.9611 4.0085 3.8922 3.7909 3.8519 3.9317 3.2332 4.4129 3.4133 3.9483 3.8044 3.9966 4.3994 3.8572 3.9295 3.9301 3.9696 3.9186 3.8838 3.9157 1.0211 1.0191 1.0160 1.0220 1.0274 1.0284 1.0250 1.0198 1.0084 1.0424 0.9814 0.9911 0.9953 1.0274 1.0089 1.0063 1.0035 1.0031 1.0046 0.9923 0.9986 1.0091 0.9956 1.0062 1.0117 1.0047 1.0101 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.0782 0.9728 0.9516 1.1003 -0.1126 2.1376 1.2289 0.8749 1.9836 0.9193 1.2299 0.9733 0.8824 0.8555 0.9261 0.9247 0.9957 1.0093 0.9167 1.0230 0.9961 0.9038 1.0122 1.0270 0.8639 1.0188 1.0089 1.0263 1.7857 0.9667 0.7513 1.2869 1.3974 0.9818 0.9747 0.9875 1.4319 0.9605 1.4617 0.9585 1.3897 0.9444 1.4668 0.9799 0.9949 1.0002 0.9793 0.9780 0.9805 0.9944 0.9988 0.9594 0.9843 0.9945 0.9868 0.9869 0.9846 0 11 0 16 1 12 1 19 2 13 2 14 3 19 3 25 4 19 5 6 5 14 5 36 6 7 6 8 6 12 7 9 7 27 7 28 8 10 8 29 8 30 9 11 9 31 9 32 10 11 10 33 10 34 11 35 12 13 13 14 13 15 15 17 15 18 16 37 16 38 16 39 17 21 17 22 18 20 18 40 20 23 20 24 21 23 21 41 22 42 22 43 22 44 23 45 24 46 24 47 24 48 25 26 25 49 25 50 26 51 26 52 26 53 -0.029557277 -1247.558431382341 8.42911 -8.09546 0.33364 12.90065 -10.78274 2.11791 1.58494 -0.71855 0.86639 2.31246 5.87781