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 N N 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 H H H H 1 1 2 2 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 4 4 4 4 324.24759999999975 AuxInfo=1/0/N:26,21,22,6,7,8,25,23,24,18,19,17,12,13,15,16,20,14,10,11,9,5,4,3,2,1/E:(2,3)(4,5,6)(8,9)(10,11)(13,14)(15,16)/CRV:8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1/rA:54nO1O1NNCCCCC3C3C3C3C3C3C3C3C3C3C3C3CCC3C3CCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s5;s5;s1s3;s9;s2s4;s10;s10;s11;s12;s13;s15s16;s14;s14;;s15;s16;s18s20;s19s20;s20;s25;s6;s6;s6;s7;s7;s7;s8;s8;s8;s4;s12;s13;s17;s18;s19;s21;s21;s21;s22;s22;s22;s23;s24;s25;s25;s26;s26;s26;/rC:-3.5108,-1.5648,-.0399;-.82,.7096,-1.9239;-2.4518,.4255,.2422;-1.214,1.0075,.282;-3.6633,1.2993,.1531;-3.2297,2.753,.3151;-4.3419,1.1464,-1.2083;-4.6257,.9608,1.2908;-2.4821,-.9327,.1387;-1.168,-1.648,.232;-.4094,.9948,-.8104;-.3587,-1.5678,1.3623;-.7784,-2.4244,-.8494;1.0223,1.2605,-.5216;.8593,-2.2323,1.4035;.4441,-3.094,-.8343;1.2488,-2.9808,.2927;1.9706,.5511,-1.2551;1.4474,2.1072,.4996;3.7494,1.4873,.0892;1.7628,-2.1033,2.5927;.8683,-3.9181,-2.0124;3.3152,.6582,-.9432;2.7966,2.2224,.7912;5.2101,1.6168,.4083;5.8802,2.7049,-.4255;-2.5818,3.0899,-.4939;-4.1251,3.3744,.2964;-2.726,2.9354,1.2648;-5.1563,1.8679,-1.2864;-4.7683,.1576,-1.3594;-3.6421,1.3477,-2.0196;-5.4748,1.6445,1.2572;-5.0204,-.0503,1.2282;-4.1419,1.0829,2.2608;-.8083,1.1307,1.1987;-.671,-.9784,2.2173;-1.4133,-2.4909,-1.7253;2.2067,-3.4896,.3099;1.6593,-.1133,-2.0506;.736,2.6915,1.0704;2.3005,-3.0297,2.7926;2.5123,-1.3264,2.4259;1.209,-1.8315,3.4904;.2673,-4.8253,-2.0956;.7452,-3.3688,-2.9462;1.9117,-4.2199,-1.9345;4.0383,.0779,-1.5037;3.1128,2.8866,1.5865;5.3339,1.8437,1.469;5.7092,.6624,.2284;6.9393,2.7844,-.1787;5.4215,3.678,-.2462;5.8017,2.4898,-1.4919; 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 1582 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 190 Dim 1198 ENuc 2434.3005537164 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 4.620e-06 Time for diagonalization 0.491 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.366 sec Total time needed 0.875 sec 8 8 7 7 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 1 1 1 1 324.24759999999975 AuxInfo=1/0/N:26,21,22,6,7,8,25,23,24,18,19,17,12,13,15,16,20,14,10,11,9,5,4,3,2,1/E:(2,3)(4,5,6)(8,9)(10,11)(13,14)(15,16)/CRV:8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1/rA:54nO1O1NNCCCCC3C3C3C3C3C3C3C3C3C3C3C3CCC3C3CCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s5;s5;s1s3;s9;s2s4;s10;s10;s11;s12;s13;s15s16;s14;s14;;s15;s16;s18s20;s19s20;s20;s25;s6;s6;s6;s7;s7;s7;s8;s8;s8;s4;s12;s13;s17;s18;s19;s21;s21;s21;s22;s22;s22;s23;s24;s25;s25;s26;s26;s26;/rC:-3.5108,-1.5648,-.0399;-.82,.7096,-1.9239;-2.4518,.4255,.2422;-1.214,1.0075,.282;-3.6633,1.2993,.1531;-3.2297,2.753,.3151;-4.3419,1.1464,-1.2083;-4.6257,.9608,1.2908;-2.4821,-.9327,.1387;-1.168,-1.648,.232;-.4094,.9948,-.8104;-.3587,-1.5678,1.3623;-.7784,-2.4244,-.8494;1.0223,1.2605,-.5216;.8593,-2.2323,1.4035;.4441,-3.094,-.8343;1.2488,-2.9808,.2927;1.9706,.5511,-1.2551;1.4474,2.1072,.4996;3.7494,1.4873,.0892;1.7628,-2.1033,2.5927;.8683,-3.9181,-2.0124;3.3152,.6582,-.9432;2.7966,2.2224,.7912;5.2101,1.6168,.4083;5.8802,2.7049,-.4256;-2.5818,3.0899,-.4939;-4.1251,3.3744,.2964;-2.726,2.9354,1.2648;-5.1563,1.8679,-1.2864;-4.7683,.1576,-1.3594;-3.6421,1.3477,-2.0196;-5.4748,1.6445,1.2572;-5.0204,-.0503,1.2282;-4.1419,1.0829,2.2608;-.8083,1.1307,1.1987;-.671,-.9784,2.2173;-1.4133,-2.4909,-1.7253;2.2067,-3.4896,.3099;1.6593,-.1133,-2.0506;.736,2.6915,1.0704;2.3005,-3.0297,2.7926;2.5123,-1.3264,2.4259;1.209,-1.8315,3.4904;.2673,-4.8253,-2.0956;.7452,-3.3688,-2.9462;1.9117,-4.2199,-1.9345;4.0383,.0779,-1.5037;3.1128,2.8866,1.5865;5.3339,1.8437,1.469;5.7092,.6624,.2284;6.9393,2.7844,-.1787;5.4215,3.678,-.2462;5.8017,2.4898,-1.4919; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 324.24759999999975 AuxInfo=1/0/N:26,21,22,6,7,8,25,23,24,18,19,17,12,13,15,16,20,14,10,11,9,5,4,3,2,1/E:(2,3)(4,5,6)(8,9)(10,11)(13,14)(15,16)/CRV:8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1/rA:54nO1O1NNCCCCC3C3C3C3C3C3C3C3C3C3C3C3CCC3C3CCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s5;s5;s5;s1s3;s9;s2s4;s10;s10;s11;s12;s13;s15s16;s14;s14;;s15;s16;s18s20;s19s20;s20;s25;s6;s6;s6;s7;s7;s7;s8;s8;s8;s4;s12;s13;s17;s18;s19;s21;s21;s21;s22;s22;s22;s23;s24;s25;s25;s26;s26;s26;/rC:-3.5108,-1.5648,-.0399;-.82,.7096,-1.9239;-2.4518,.4255,.2422;-1.214,1.0075,.282;-3.6633,1.2993,.1531;-3.2297,2.753,.3151;-4.3419,1.1464,-1.2083;-4.6257,.9608,1.2908;-2.4821,-.9327,.1387;-1.168,-1.648,.232;-.4094,.9948,-.8104;-.3587,-1.5678,1.3623;-.7784,-2.4244,-.8494;1.0223,1.2605,-.5216;.8593,-2.2323,1.4035;.4441,-3.094,-.8343;1.2488,-2.9808,.2927;1.9706,.5511,-1.2551;1.4474,2.1072,.4996;3.7494,1.4873,.0892;1.7628,-2.1033,2.5927;.8683,-3.9181,-2.0124;3.3152,.6582,-.9432;2.7966,2.2224,.7912;5.2101,1.6168,.4083;5.8802,2.7049,-.4255;-2.5818,3.0899,-.4939;-4.1251,3.3744,.2964;-2.726,2.9354,1.2648;-5.1563,1.8679,-1.2864;-4.7683,.1576,-1.3594;-3.6421,1.3477,-2.0196;-5.4748,1.6445,1.2572;-5.0204,-.0503,1.2282;-4.1419,1.0829,2.2608;-.8083,1.1307,1.1987;-.671,-.9784,2.2173;-1.4133,-2.4909,-1.7253;2.2067,-3.4896,.3099;1.6593,-.1133,-2.0506;.736,2.6915,1.0704;2.3005,-3.0297,2.7926;2.5123,-1.3264,2.4259;1.209,-1.8315,3.4904;.2673,-4.8253,-2.0956;.7452,-3.3688,-2.9462;1.9117,-4.2199,-1.9345;4.0383,.0779,-1.5037;3.1128,2.8866,1.5865;5.3339,1.8437,1.469;5.7092,.6624,.2284;6.9393,2.7844,-.1787;5.4215,3.678,-.2462;5.8017,2.4898,-1.4919; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3162 GEPOL Volume 2539.2529 GEPOL Surface-area 1474.5608 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -1115.28896922 2434.30055372 -3549.58952294 -6353.42088750 2803.83136456 -0.05053789 -2225.51483954 1110.22587032 2.00456042 94.999698919301 94.999698919301 189.999397838602 -110.513775936075 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -522.9621 -522.8554 -394.3493 -394.1309 -282.9719 -282.9070 -281.1195 -280.1809 -280.1263 -280.0796 -280.0077 -279.9967 -279.9925 -279.9501 -279.7371 -279.7203 -279.6855 -279.6729 -279.5328 -279.4745 -279.2539 -279.2438 -279.1778 -279.1459 -279.0848 -279.0608 -32.7341 -31.8872 -30.6483 -27.1455 -26.9079 -26.6378 -25.1750 -24.7461 -24.5364 -24.1278 -23.6774 -23.1061 -21.9131 -21.8479 -21.8083 -21.6458 -21.0651 -20.6277 -19.8947 -19.6596 -19.1140 -18.8892 -18.6160 -18.4570 -17.4338 -16.9743 -16.3022 -16.1536 -15.9516 -15.8462 -15.5652 -15.1929 -14.9825 -14.8208 -14.6844 -14.5185 -14.3432 -14.3066 -14.2269 -14.1579 -13.9681 -13.9372 -13.7894 -13.7049 -13.6426 -13.2035 -13.1399 -12.9836 -12.9284 -12.8722 -12.5661 -12.3782 -12.3430 -12.2047 -12.0928 -12.0392 -11.8385 -11.6782 -11.6689 -11.6530 -11.5121 -10.8119 -10.3894 -9.9943 -9.7889 -9.4906 -9.2199 -8.9517 -8.8513 0.7908 1.1807 1.5502 1.7426 2.7182 2.9870 3.2232 3.3394 3.6195 3.7373 3.9919 4.2072 4.4918 4.4987 4.5800 4.6371 4.7875 4.8769 4.9820 5.0926 5.1627 5.2814 5.4786 5.5397 5.6147 5.7441 5.8463 5.9177 6.0002 6.0409 6.1240 6.2208 6.2685 6.3875 6.4693 6.5560 6.6503 6.6849 6.9059 6.9257 7.0503 7.1456 7.2466 7.2635 7.3550 7.4185 7.4571 7.6118 7.7489 7.8796 8.0637 8.1211 8.2140 8.4328 8.5385 8.6813 8.7376 8.8097 8.9617 9.0031 9.1228 9.2589 9.3105 9.4377 9.6316 9.7958 9.9320 10.0692 10.0882 10.2136 10.2986 10.3781 10.5466 10.7115 10.7557 10.9249 11.0284 11.0730 11.0899 11.1848 11.2609 11.4252 11.4706 11.4855 11.5839 11.8884 11.9162 12.0239 12.0440 12.1326 12.2413 12.4628 12.4931 12.6876 12.7337 12.8486 12.8665 13.0075 13.1124 13.2786 13.4500 13.5212 13.6578 13.7688 13.8182 13.9182 14.0549 14.1473 14.2191 14.2653 14.3030 14.3922 14.5122 14.5311 14.5806 14.6882 14.7633 14.7835 14.8443 14.9079 15.0312 15.1217 15.1850 15.2924 15.3739 15.4207 15.4937 15.5765 15.6572 15.7354 15.8699 15.9242 15.9856 16.1685 16.2551 16.3243 16.4182 16.5383 16.6023 16.6199 16.7321 16.8983 17.0354 17.1819 17.2796 17.3677 17.5494 17.6535 17.7020 17.8025 18.0173 18.1076 18.2765 18.3385 18.4380 18.4710 18.7464 18.8990 18.9170 19.0128 19.0792 19.2431 19.4185 19.6333 19.7021 19.9118 20.0955 20.2661 20.2846 20.4038 20.5856 20.8184 20.9178 20.9788 21.1821 21.2934 21.4271 21.5187 21.6644 21.8310 21.9692 22.1551 22.2733 22.3332 22.5587 22.7087 22.9426 23.0500 23.1539 23.3355 23.4561 23.6086 23.7490 23.8773 23.9976 24.1234 24.2059 24.3873 24.4381 24.5487 24.7414 24.8443 24.9575 25.0358 25.2429 25.4214 25.4441 25.6473 25.7678 25.9757 26.0685 26.1970 26.2282 26.3375 26.4831 26.5907 26.8266 26.9005 27.0139 27.1283 27.2123 27.5052 27.6572 27.8098 27.8771 28.1580 28.2078 28.3734 28.4169 28.4718 28.5561 28.7297 28.9683 29.0227 29.2204 29.2660 29.5637 29.6831 29.7180 29.8740 29.9056 29.9781 30.1950 30.2743 30.3611 30.4151 30.5500 30.7047 30.8535 31.0068 31.1362 31.2960 31.3067 31.4521 31.5153 31.6888 31.7897 32.0693 32.1900 32.3047 32.4841 32.5637 32.6400 32.9347 32.9903 33.1611 33.2086 33.4774 33.5375 33.7534 33.7955 33.9539 34.0327 34.0855 34.3303 34.4683 34.5615 34.6489 34.7585 34.9198 35.1028 35.1805 35.3432 35.4592 35.5537 35.6953 35.8058 35.9461 36.1270 36.2559 36.3880 36.5123 36.5476 36.6653 36.8599 36.9605 37.0516 37.1966 37.2826 37.4587 37.5986 37.7233 37.8896 38.0132 38.2510 38.4002 38.5264 38.6302 38.7655 38.8432 38.9550 39.1196 39.2372 39.3878 39.4897 39.5257 39.7369 39.9115 39.9971 40.0963 40.2533 40.3407 40.4528 40.5815 40.7325 40.8585 40.9802 40.9941 41.0842 41.3297 41.4109 41.5141 41.6060 41.6403 41.8628 42.0140 42.1457 42.1763 42.4950 42.5236 42.6090 42.6825 42.9697 43.1106 43.2415 43.3244 43.3537 43.5047 43.5804 43.6372 43.7347 44.0016 44.1109 44.1808 44.2757 44.3760 44.3890 44.5235 44.6054 44.8453 44.8914 45.0448 45.1205 45.2273 45.3786 45.4104 45.5901 45.7082 45.9928 46.1917 46.2784 46.5593 46.6256 46.6750 46.9675 47.0729 47.1641 47.2238 47.3208 47.4453 47.6405 47.7001 47.7926 48.0262 48.1168 48.2506 48.3899 48.5742 48.7071 48.7982 48.8989 49.0406 49.2841 49.3050 49.3725 49.7365 49.9672 50.0765 50.4905 50.5844 50.8318 51.0748 51.3083 51.5459 51.6447 51.8384 51.9473 52.2494 52.3709 52.4575 52.8616 53.0880 53.3339 53.4975 54.0302 54.1855 54.4676 54.7808 54.8571 55.0812 55.2176 55.4902 55.6799 55.9281 56.2573 56.4822 56.8124 57.1887 57.2502 57.4605 57.6650 57.9732 58.1765 58.3242 58.4901 58.8586 58.9932 59.1397 59.4026 59.6097 59.7759 59.9638 60.0909 60.3089 60.4680 60.8001 61.0930 61.1786 61.5141 61.8948 62.0845 62.1367 62.5062 62.6142 62.8729 63.0539 63.0819 63.3374 63.5756 63.7366 64.0744 64.1959 64.4320 64.5664 64.8966 64.9674 65.1899 65.3116 65.5517 65.7077 66.0687 66.2507 66.7415 66.8867 67.4295 67.8456 68.1415 68.2134 68.5286 68.9268 69.2092 69.5417 69.9061 69.9711 70.1139 70.2810 70.5791 71.0207 71.1977 71.2857 71.5380 72.0388 72.0485 72.2357 72.3165 72.4097 72.6709 72.8541 72.9364 73.0734 73.2265 73.4193 73.6379 73.8746 74.0588 74.2225 74.3656 74.4544 74.8930 75.1550 75.3902 75.5854 75.6585 75.9710 76.1170 76.2384 76.4915 76.7746 77.0801 77.1632 77.3017 77.3378 77.5594 77.6987 77.8689 77.9693 78.1978 78.2900 78.3900 78.5552 78.6869 78.9180 79.1309 79.1857 79.2175 79.3438 79.4017 79.5233 79.7043 79.8773 79.8842 79.9478 79.9892 80.2435 80.3959 80.5471 80.6079 80.8974 80.9820 81.1991 81.2679 81.4371 81.5505 81.7018 81.7679 81.8708 81.9743 82.0970 82.1959 82.3126 82.4422 82.5272 82.7578 82.9001 83.1245 83.2966 83.3684 83.5143 83.7537 83.8802 83.9710 84.0296 84.1646 84.3800 84.4011 84.4818 84.6640 84.6933 84.7565 84.9557 85.0681 85.2836 85.4338 85.4982 85.5704 85.7033 85.8955 85.9628 86.1378 86.2409 86.3788 86.4095 86.4585 86.5146 86.6410 86.8195 86.9257 87.0219 87.0467 87.2214 87.3206 87.4163 87.5260 87.6295 87.7543 87.8070 88.1150 88.3820 88.5618 88.6048 88.7392 88.7797 89.0915 89.1414 89.2035 89.3272 89.3535 89.5862 89.6012 89.7038 89.9926 90.0927 90.1388 90.2056 90.3737 90.5441 90.7357 90.7520 90.8766 91.0401 91.1702 91.3920 91.4574 91.5754 91.7517 91.7931 92.0610 92.1101 92.2744 92.4201 92.6120 92.6228 92.9232 92.9884 93.0855 93.3067 93.3681 93.4895 93.5332 93.6455 93.7017 94.0003 94.0571 94.3570 94.3764 94.5370 94.6921 94.7380 94.9273 95.0566 95.0719 95.1579 95.2276 95.3140 95.5556 95.6234 95.7147 95.9904 96.0397 96.2180 96.2304 96.3497 96.5161 96.5458 96.8121 96.9106 96.9635 97.0853 97.3637 97.4386 97.5546 97.6055 97.8254 98.0037 98.0936 98.1749 98.2356 98.3816 98.4164 98.6987 98.7583 98.8693 98.9730 99.0583 99.1659 99.2487 99.2862 99.4659 99.6212 99.8491 99.9136 100.0782 100.1896 100.2609 100.3774 100.6103 100.6710 101.0251 101.1066 101.1873 101.3155 101.4488 101.6312 101.7315 101.8993 102.0349 102.1130 102.2653 102.4680 102.7001 102.8858 102.9647 103.0614 103.1741 103.5039 103.5186 103.8009 103.9687 104.0262 104.1889 104.2746 104.4205 104.4879 104.5708 105.0515 105.1779 105.2046 105.3612 105.6390 105.8382 105.8828 106.0749 106.1177 106.1402 106.3582 106.4514 106.5006 106.7210 106.8190 107.0926 107.2046 107.3019 107.6901 107.9084 108.1517 108.2142 108.5984 108.7517 108.8672 109.0805 109.1822 109.3475 109.3653 109.5340 109.7822 109.8602 109.9755 110.0209 110.2460 110.2543 110.3871 110.5073 110.5337 110.7028 110.8095 111.1423 111.2808 111.3631 111.4999 111.5754 111.6410 111.8713 111.9795 112.1799 112.2746 112.3111 112.4976 112.6944 112.8652 112.9614 113.0799 113.2035 113.2506 113.3556 113.6149 113.8540 113.9576 114.2227 114.2561 114.3624 114.5646 114.6422 114.8376 114.9841 115.0676 115.1579 115.2992 115.3330 115.5235 115.5624 115.6972 115.7964 115.9498 116.0351 116.1282 116.2512 116.3478 116.4481 116.5629 116.6305 116.9348 116.9715 117.2778 117.4430 117.5031 117.5935 117.6302 117.7339 117.8959 118.0199 118.1906 118.2426 118.3750 118.5263 118.5914 118.6405 118.7619 118.8753 119.0349 119.2381 119.3073 119.3980 119.4746 119.7533 119.8422 120.0268 120.2920 120.5363 120.6244 120.9014 120.9492 121.1083 121.3556 121.5461 121.6380 121.8257 122.0731 122.1551 122.5314 122.7024 122.8095 122.9999 123.2197 123.3934 123.4518 123.6689 123.7148 123.8421 124.0361 124.4535 124.6082 124.7702 124.8631 125.2473 125.6197 125.7629 126.0398 126.3871 126.6339 126.9522 126.9844 127.2299 127.3719 127.5140 127.6564 127.8209 128.1505 128.2604 128.5057 128.7605 128.9184 129.2811 129.3858 129.7544 129.8033 129.9723 130.1836 130.4411 130.7554 130.9047 131.1648 131.1886 131.3659 131.4319 131.5852 131.7687 131.9917 132.3761 132.4799 132.7067 132.9637 133.1175 133.1605 133.2162 133.2753 133.3369 133.7932 133.8677 134.0109 134.1782 134.3100 134.5389 134.6121 134.9821 135.2360 135.3869 135.7034 135.9271 136.0266 136.0879 136.1996 136.6241 136.7534 136.8277 137.0874 137.7422 137.8893 138.1281 138.4764 138.6921 138.9050 139.1976 139.5628 139.7671 140.1107 140.4392 140.8023 140.9469 141.1407 141.3765 141.4131 141.5898 141.9630 142.2227 142.4116 142.6102 142.8051 143.0288 143.2340 143.7985 144.0923 144.2758 144.4657 144.6970 144.7972 145.1296 145.2970 145.4281 145.6151 145.7264 145.9850 146.2154 146.3533 146.4432 146.7086 146.8972 147.0843 147.2974 147.4899 147.7835 147.8636 148.2668 148.4220 148.5866 148.6989 148.7767 149.0582 149.2838 149.4608 149.5759 149.7250 149.7847 149.8089 149.9783 150.0692 150.1208 150.4702 150.6235 150.7432 150.7867 151.0047 151.1801 151.4575 151.6991 151.8405 151.9827 151.9964 152.5449 152.7418 153.5874 153.7322 153.9170 154.1553 154.4691 154.5452 154.9085 155.0091 155.4231 155.6691 155.7917 156.0965 156.5353 156.6752 156.8573 157.1470 157.3889 157.6609 157.8168 157.8476 157.9702 158.3008 158.5203 158.5946 158.7315 158.8518 158.8640 158.9906 159.3303 159.7126 159.7658 160.2865 160.5608 160.7554 161.2043 161.2348 162.7173 163.1557 163.8500 164.7045 165.3172 165.6713 166.1057 166.4506 169.2425 169.8467 171.1065 171.4434 172.1204 173.8333 175.6487 177.1673 178.1741 178.4816 179.3459 180.7678 182.9493 183.7632 185.3502 187.7058 189.5497 190.4063 192.3782 195.7670 196.7121 197.5654 198.2173 201.1238 619.4735 624.0782 626.1151 631.7044 633.7501 634.1296 634.8766 636.1420 637.0954 637.2477 637.5821 641.0853 644.6366 644.8253 646.5192 646.8054 647.0685 648.0422 648.4355 652.1342 658.3137 659.0084 894.6004 903.1308 1200.1412 1204.1376 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 N N 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 H H H H -0.526747 -0.517387 -0.040714 -0.096273 0.204336 -0.294720 -0.341321 -0.319638 0.431154 0.059716 0.393507 -0.220103 -0.196842 0.044322 -0.030874 -0.065866 -0.137329 -0.229578 -0.200024 0.005123 -0.217422 -0.227180 -0.150381 -0.155384 -0.063484 -0.262932 0.105613 0.106396 0.107348 0.105116 0.104339 0.099397 0.102262 0.105872 0.101722 0.202153 0.139183 0.129347 0.126646 0.146442 0.152325 0.101696 0.099713 0.098947 0.107656 0.101380 0.094058 0.146073 0.146891 0.078628 0.079450 0.094414 0.086636 0.086339 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 N N 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 H H H H 8.5267 8.5174 7.0407 7.0963 5.7957 6.2947 6.3413 6.3196 5.5688 5.9403 5.6065 6.2201 6.1968 5.9557 6.0309 6.0659 6.1373 6.2296 6.2000 5.9949 6.2174 6.2272 6.1504 6.1554 6.0635 6.2629 0.8944 0.8936 0.8927 0.8949 0.8957 0.9006 0.8977 0.8941 0.8983 0.7978 0.8608 0.8707 0.8734 0.8536 0.8477 0.8983 0.9003 0.9011 0.8923 0.8986 0.9059 0.8539 0.8531 0.9214 0.9205 0.9056 0.9134 0.9137 8.0000 8.0000 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 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 1.0000 -0.5267 -0.5174 -0.0407 -0.0963 0.2043 -0.2947 -0.3413 -0.3196 0.4312 0.0597 0.3935 -0.2201 -0.1968 0.0443 -0.0309 -0.0659 -0.1373 -0.2296 -0.2000 0.0051 -0.2174 -0.2272 -0.1504 -0.1554 -0.0635 -0.2629 0.1056 0.1064 0.1073 0.1051 0.1043 0.0994 0.1023 0.1059 0.1017 0.2022 0.1392 0.1293 0.1266 0.1464 0.1523 0.1017 0.0997 0.0989 0.1077 0.1014 0.0941 0.1461 0.1469 0.0786 0.0795 0.0944 0.0866 0.0863 1.9665 1.9825 3.0542 3.1418 3.8222 3.8988 3.9105 3.8950 4.0334 3.5304 4.1230 3.9208 3.9676 3.4972 3.7704 3.7845 3.8408 3.9791 3.9870 3.7119 3.9047 3.9102 3.9290 3.9150 3.8463 3.9197 1.0049 1.0059 1.0047 1.0040 1.0212 1.0157 1.0039 1.0208 1.0068 0.9945 1.0124 1.0223 1.0064 1.0167 1.0049 1.0004 0.9930 1.0030 0.9938 0.9969 1.0046 1.0002 0.9996 1.0059 1.0054 1.0045 1.0021 1.0023 1.9665 1.9825 3.0542 3.1418 3.8222 3.8988 3.9105 3.8950 4.0334 3.5304 4.1230 3.9208 3.9676 3.4972 3.7704 3.7845 3.8408 3.9791 3.9870 3.7119 3.9047 3.9102 3.9290 3.9150 3.8463 3.9197 1.0049 1.0059 1.0047 1.0040 1.0212 1.0157 1.0039 1.0208 1.0068 0.9945 1.0124 1.0223 1.0064 1.0167 1.0049 1.0004 0.9930 1.0030 0.9938 0.9969 1.0046 1.0002 0.9996 1.0059 1.0054 1.0045 1.0021 1.0023 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 1.8203 1.8632 0.8395 0.8985 1.2395 1.2099 0.9591 0.9337 0.9523 0.9288 0.9852 0.9950 0.9871 0.9901 0.9874 0.9849 0.9890 0.9887 0.9913 0.9446 1.2859 1.3799 0.9482 1.4274 1.0052 1.3974 1.0049 1.3084 1.3459 1.3651 0.9644 1.3940 0.9683 1.0004 1.4873 0.9930 1.4805 0.9883 1.3575 1.3546 0.9343 0.9920 0.9701 0.9988 0.9790 0.9868 0.9964 0.9922 0.9897 0.9314 1.0029 1.0019 0.9951 0.9902 0.9911 0 8 1 10 2 3 2 4 2 8 3 10 3 35 4 5 4 6 4 7 5 26 5 27 5 28 6 29 6 30 6 31 7 32 7 33 7 34 8 9 9 11 9 12 10 13 11 14 11 36 12 15 12 37 13 17 13 18 14 16 14 20 15 16 15 21 16 38 17 22 17 39 18 23 18 40 19 22 19 23 19 24 20 41 20 42 20 43 21 44 21 45 21 46 22 47 23 48 24 25 24 49 24 50 25 51 25 52 25 53 -0.031304612 -1115.320273836620 8.47741 -5.70812 2.76928 7.46150 -5.74953 1.71196 4.38382 -2.02758 2.35624 4.01891 10.21525