Orca 4.2.1 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 S O O O O O O O N N N N N N 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 1 2 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 432.28289999999976 AuxInfo=1/0/N:22,23,30,31,21,19,17,29,26,18,16,15,27,28,20,25,24,11,13,14,12,9,10,6,4,5,2,3,7,8,1/E:(1,2)(3,4)(13,14)(19,20)(27,28)(29,30)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.2,20.2,24.1,25.1,26.1,27.1,28.1/rA:51SO1O1O1O1O1OONNNNN2N2C3C3C3C3C3C3C3CCC3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;;;;s1;;;;;;s1;s15;s15;s11s17;s16;s4s10s16;s18s19;s10;s10;s5s9s12;s12s13s14;s6s11;s7s13;s8s14;s27s28;s7;s8;s17;s19;s21;s11;s22;s22;s22;s23;s23;s23;s12;s26;s29;s30;s30;s30;s31;s31;s31;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 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 Number of auxiliary basis functions 1741 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 236 Dim 1252 ENuc 3491.8888179866 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off 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 LIBINT 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 4.454e-06 Time for diagonalization 0.498 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.322 sec Total time needed 0.827 sec 16 8 8 8 8 8 8 8 7 7 7 7 7 7 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 1 432.28289999999976 AuxInfo=1/0/N:22,23,30,31,21,19,17,29,26,18,16,15,27,28,20,25,24,11,13,14,12,9,10,6,4,5,2,3,7,8,1/E:(1,2)(3,4)(13,14)(19,20)(27,28)(29,30)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.2,20.2,24.1,25.1,26.1,27.1,28.1/rA:51SO1O1O1O1O1OONNNNN2N2C3C3C3C3C3C3C3CCC3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;;;;s1;;;;;;s1;s15;s15;s11s17;s16;s4s10s16;s18s19;s10;s10;s5s9s12;s12s13s14;s6s11;s7s13;s8s14;s27s28;s7;s8;s17;s19;s21;s11;s22;s22;s22;s23;s23;s23;s12;s26;s29;s30;s30;s30;s31;s31;s31;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 cpcm smd true smdsolvent "WATER" 432.28289999999976 AuxInfo=1/0/N:22,23,30,31,21,19,17,29,26,18,16,15,27,28,20,25,24,11,13,14,12,9,10,6,4,5,2,3,7,8,1/E:(1,2)(3,4)(13,14)(19,20)(27,28)(29,30)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.2,20.2,24.1,25.1,26.1,27.1,28.1/rA:51SO1O1O1O1O1OONNNNN2N2C3C3C3C3C3C3C3CCC3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;;;;;;s1;;;;;;s1;s15;s15;s11s17;s16;s4s10s16;s18s19;s10;s10;s5s9s12;s12s13s14;s6s11;s7s13;s8s14;s27s28;s7;s8;s17;s19;s21;s11;s22;s22;s22;s23;s23;s23;s12;s26;s29;s30;s30;s30;s31;s31;s31;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Epsilon 78.3550 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES Epsilon function type CPCM S O N C H 2.4900 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! ( 0.5s) GEPOL surface points 1787 GEPOL Volume 2881.8308 GEPOL Surface-area 1414.8553 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.3s) Overall time for CPCM initialization 0.8s -1913.37398957 3491.88881799 -5405.26280755 -9567.06516229 4161.80235473 -0.06343685 -3819.75515437 1906.38116481 2.00366811 117.999988266850 117.999988266850 235.999976533701 -159.209380085619 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 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2426.7746 -524.8113 -524.7603 -523.8763 -523.8699 -523.1695 -523.0735 -522.7444 -393.9409 -393.9394 -393.8315 -393.5511 -392.7556 -392.5754 -284.2032 -283.2991 -282.9362 -282.8731 -282.8038 -282.7825 -281.6130 -281.2393 -280.8716 -280.8245 -280.7543 -280.5303 -280.2893 -280.2664 -280.2161 -280.1841 -279.7141 -224.3838 -168.7478 -168.6707 -168.6632 -34.3565 -33.3311 -33.1593 -32.8375 -32.0633 -31.9268 -31.2197 -31.0973 -29.4302 -29.2156 -28.9979 -28.5552 -27.7631 -27.3835 -25.0831 -24.8117 -24.6014 -23.3906 -22.9018 -22.6588 -22.4196 -22.1407 -21.7585 -21.2761 -20.8486 -20.2147 -19.9368 -19.1069 -18.8316 -18.5779 -18.3558 -18.2149 -17.8133 -17.4057 -17.2009 -17.0166 -16.7722 -16.6576 -16.3328 -16.2175 -16.1124 -15.9823 -15.9303 -15.8275 -15.7674 -15.7304 -15.3779 -15.2746 -15.1293 -15.0624 -14.9378 -14.6458 -14.6071 -14.3973 -14.0003 -13.8593 -13.5966 -13.5780 -13.5396 -13.3032 -13.1025 -12.9602 -12.9250 -12.7892 -12.7206 -12.5577 -12.4408 -12.3815 -12.0072 -11.8597 -11.7309 -11.6540 -11.2066 -10.9576 -10.7729 -10.4226 -10.3491 -10.3063 -10.1286 -10.0239 -9.3861 -8.9136 -8.8339 0.3478 0.9731 1.1274 1.6495 2.4378 2.7085 3.0694 3.2100 3.4940 3.5976 3.7921 3.9332 4.0411 4.2126 4.2401 4.3896 4.5873 4.6814 4.7461 4.8955 4.9725 5.0510 5.1532 5.2744 5.3611 5.3979 5.4710 5.6130 5.6702 5.8092 5.8863 5.9147 5.9903 6.1016 6.2046 6.2790 6.3643 6.6059 6.8245 6.8452 6.9763 7.1289 7.2226 7.3574 7.4359 7.4996 7.6251 7.7648 7.9155 7.9517 7.9770 8.1041 8.3150 8.4281 8.4927 8.6129 8.6616 8.7884 8.9234 9.1077 9.2000 9.3573 9.5098 9.5711 9.6442 9.7209 9.8069 9.9059 9.9523 10.1180 10.2229 10.3753 10.4108 10.5323 10.5454 10.6008 10.8203 10.9292 11.0423 11.0633 11.2228 11.3160 11.4366 11.5428 11.7324 11.8079 11.9007 11.9720 12.0336 12.1821 12.2571 12.3309 12.4008 12.5144 12.6543 12.7759 12.9079 12.9511 12.9883 13.1103 13.2058 13.2471 13.3686 13.4483 13.5742 13.7106 13.7754 13.8326 13.9342 13.9928 14.1081 14.1635 14.2144 14.2900 14.3620 14.4521 14.4897 14.5843 14.6951 14.8019 14.8658 15.0117 15.0459 15.1389 15.2663 15.3468 15.4211 15.4608 15.5403 15.6652 15.8402 15.8886 16.0126 16.1305 16.2417 16.3315 16.4244 16.4466 16.5455 16.6953 16.8589 16.9621 16.9985 17.1488 17.2736 17.2801 17.5151 17.5942 17.7153 17.7715 17.9704 18.0954 18.1748 18.2943 18.3979 18.4665 18.6502 18.7009 18.8502 18.8779 19.0744 19.1970 19.3006 19.4037 19.5280 19.6935 19.8065 19.8829 19.9751 20.0857 20.1986 20.2566 20.3918 20.4631 20.6634 20.7497 20.8325 20.9206 21.0358 21.1621 21.3199 21.4860 21.5123 21.7570 21.8077 21.9028 21.9991 22.0846 22.2791 22.3219 22.4874 22.6032 22.8336 22.8729 23.0318 23.1847 23.4221 23.4743 23.6159 23.6834 23.7860 23.8896 24.0916 24.2983 24.4457 24.5414 24.6918 24.7910 24.8736 24.9160 25.0923 25.1700 25.2793 25.4172 25.5548 25.7331 25.8517 25.9358 26.0331 26.2091 26.3299 26.6288 26.7500 26.9133 26.9351 27.1363 27.1772 27.2525 27.4216 27.4538 27.7020 27.8847 27.9962 28.0745 28.3949 28.4842 28.6377 28.7232 28.8645 28.9759 29.0132 29.1713 29.3546 29.4154 29.6504 29.6969 29.8138 29.9055 29.9920 30.1097 30.1769 30.3373 30.4153 30.4712 30.5721 30.8007 30.8855 31.0950 31.1351 31.2255 31.3033 31.6058 31.9018 31.9712 32.1311 32.2080 32.2738 32.3571 32.4118 32.6951 32.7495 32.9505 33.1291 33.4045 33.5049 33.5892 33.7192 33.8953 34.0205 34.1227 34.4448 34.4971 34.6604 34.7005 34.9075 35.0089 35.1170 35.4279 35.6453 35.6925 35.8814 36.1082 36.2934 36.4384 36.5893 36.7426 36.8401 36.8971 37.2195 37.2381 37.5220 37.5986 37.7420 37.8491 37.8943 38.0491 38.2275 38.2443 38.4210 38.5867 38.8205 38.8837 39.0263 39.1273 39.2890 39.5045 39.6858 39.7340 39.9814 40.1130 40.2220 40.4035 40.5377 40.5898 40.7046 40.9098 40.9940 41.2488 41.3242 41.3608 41.3694 41.6466 41.7600 41.9066 41.9819 42.0228 42.1866 42.2264 42.3052 42.4542 42.5603 42.6043 42.6701 42.8168 42.9079 43.1152 43.1846 43.3323 43.3554 43.4328 43.7382 43.9478 44.0414 44.0985 44.2486 44.3866 44.5655 44.6456 44.7547 44.8999 45.1615 45.2278 45.2986 45.3937 45.4478 45.7729 45.8495 46.0682 46.1727 46.3269 46.4182 46.5147 46.6211 46.9639 47.1412 47.1745 47.2798 47.5722 47.6726 47.8534 47.9377 48.2056 48.2796 48.4478 48.5917 48.7167 48.7519 48.9000 49.1472 49.2534 49.4542 49.7067 49.7837 49.8906 50.0683 50.2323 50.5267 50.7069 50.7900 51.0452 51.4492 51.4778 51.6820 51.8430 51.9738 52.0159 52.3905 52.6448 52.8273 52.8816 53.0947 53.2464 53.3738 53.4462 53.6623 53.7570 53.8796 54.2090 54.6707 54.6866 54.9932 55.2218 55.2554 55.3044 55.7112 55.9707 56.1898 56.2757 56.3969 56.7205 56.8401 57.1244 57.2595 57.3196 57.3811 57.5678 57.7939 57.9076 58.0903 58.3003 58.3698 58.7648 58.8849 59.1876 59.3125 59.3795 59.4892 60.0216 60.2650 60.3985 60.6572 60.9170 61.0585 61.2322 61.5077 61.6275 61.6439 61.8139 62.0936 62.1831 62.3160 62.5940 63.0001 63.2312 63.4749 63.6441 63.8486 64.0140 64.0999 64.3640 64.5119 64.7267 64.9640 65.1139 65.3756 65.5507 65.9240 66.0775 66.1964 66.3165 66.5408 66.5770 66.9441 67.1780 67.4811 67.7328 67.8428 68.1095 68.4501 68.5424 68.7139 69.1305 69.4615 69.6241 69.6844 69.8612 69.9925 70.1058 70.4010 70.6493 70.8762 71.5284 71.7307 71.8660 72.0072 72.2307 72.4883 72.7897 72.9543 73.1041 73.1938 73.4010 73.6118 74.0071 74.1408 74.6240 74.8144 74.8498 75.1238 75.2160 75.6259 75.7486 75.9719 76.1171 76.4357 76.6032 76.7205 76.8363 77.0204 77.1562 77.5240 77.6653 77.7728 77.8930 77.9487 78.0471 78.3255 78.3399 78.3925 78.5786 78.7276 78.8050 78.8939 79.0010 79.1379 79.1637 79.3542 79.4186 79.5185 79.8459 79.8862 79.9871 80.1319 80.2160 80.4764 80.6197 80.7252 80.8832 80.9369 81.1849 81.3109 81.4446 81.5977 81.6740 81.7550 81.8858 82.0030 82.2018 82.2724 82.4149 82.6026 82.6376 82.8298 82.9393 83.0848 83.1904 83.4098 83.5222 83.5908 83.6551 83.7125 83.7474 83.8846 83.9413 84.0613 84.1467 84.2244 84.5299 84.5428 84.6292 84.7971 84.8423 85.0318 85.1187 85.2335 85.5014 85.6378 85.7263 85.8573 85.9039 86.0343 86.2362 86.3553 86.4164 86.7000 86.7456 86.9796 87.0354 87.1460 87.2782 87.3158 87.3314 87.6060 87.6521 87.8280 87.9549 88.0982 88.2429 88.3045 88.4741 88.4961 88.5881 88.7024 88.8453 89.0544 89.1663 89.2945 89.3350 89.5771 89.7168 89.9402 90.0407 90.1375 90.2115 90.4969 90.7026 90.8099 90.8712 91.1266 91.3283 91.6334 91.7053 91.9747 92.1749 92.2559 92.3925 92.4406 92.5817 92.7062 92.8145 92.8642 92.9045 92.9792 93.1443 93.1608 93.3093 93.4079 93.5955 93.7027 93.7577 94.1069 94.1503 94.4683 94.5341 94.7876 94.8611 94.8921 95.1358 95.2162 95.3690 95.5284 95.6542 95.7237 95.7792 95.8838 95.9048 96.1937 96.3926 96.5349 96.5596 96.7026 96.7337 97.1570 97.3331 97.4772 97.5457 97.6810 97.7194 97.8593 97.9148 98.0426 98.1052 98.3588 98.3785 98.5146 98.5707 98.7122 98.8184 99.0520 99.1505 99.6324 99.6723 99.8260 99.9387 100.1642 100.4020 100.5217 100.6314 100.6979 101.0100 101.2152 101.3080 101.4795 101.6701 101.8854 102.0075 102.1025 102.2828 102.5761 102.8061 102.9195 103.0643 103.2452 103.5475 103.6323 103.7272 103.9433 103.9644 104.1871 104.3748 104.4589 104.5674 104.6539 104.9427 105.0116 105.2301 105.3192 105.5449 105.8800 106.0483 106.3023 106.4167 106.6221 106.6668 106.7614 107.0125 107.1025 107.4049 107.5437 107.6704 107.8251 107.8720 108.1704 108.2561 108.4827 108.6768 108.8301 109.0175 109.1648 109.3126 109.5908 109.6330 109.8596 110.2344 110.3458 110.5090 110.7198 110.7680 110.9207 111.3123 111.3300 111.5612 111.6637 111.8454 111.9783 112.0861 112.2649 112.4076 112.7152 112.7698 112.9509 113.2202 113.3958 113.6614 113.7823 113.8170 114.2251 114.3185 114.3872 114.5540 114.6522 114.8263 114.8746 115.0336 115.1236 115.1875 115.3525 115.6586 115.7145 116.0394 116.2314 116.3167 116.3814 116.5665 116.9028 116.9349 116.9872 117.3496 117.5509 117.6646 117.8099 117.9995 118.1283 118.3325 118.4993 118.5723 118.7503 118.9592 118.9947 119.1262 119.3701 119.6081 119.7671 119.9217 120.0974 120.3913 120.4768 120.6905 121.0704 121.1421 121.5682 121.6323 121.8687 122.1012 122.6871 123.0006 123.2326 123.3307 123.6307 123.8197 124.0608 124.4230 124.5880 124.7553 124.9087 125.1448 125.3066 125.5549 125.7915 126.1235 126.3268 126.5272 126.6369 126.8534 127.0035 127.3239 127.4605 127.6578 127.9621 128.0102 128.7298 128.8549 129.2183 129.3171 129.4675 129.7563 129.9747 130.3242 130.5929 130.6732 130.7211 130.8776 131.2423 131.3899 131.6745 131.8731 131.8820 132.1431 132.4653 132.6388 132.9971 133.4035 133.6397 133.7158 133.8170 134.1731 134.3495 135.3261 135.5324 135.7102 135.8411 136.6633 136.8304 136.9362 137.0909 137.1929 137.2583 137.5282 137.5567 138.6176 138.8062 138.8902 139.0205 139.3861 139.5155 139.5512 139.7324 139.9012 140.0341 140.1978 140.3485 140.4306 140.5105 140.7253 140.9449 141.3443 141.4297 141.5435 141.6210 141.6672 141.9977 142.0186 142.1611 142.2066 142.4033 142.5669 142.6585 142.7374 142.8595 143.0606 143.2359 143.3403 143.4659 143.6923 143.7711 144.0055 144.1350 144.3281 144.4385 144.5863 144.6850 144.8312 144.9239 145.1370 145.2511 145.3655 145.9206 146.0058 146.1521 146.3215 146.6190 146.7149 146.7485 146.8357 146.9855 147.2067 147.4241 147.4731 147.5593 147.8642 147.8745 148.1547 148.3562 148.4242 148.6980 148.9267 149.0272 149.1478 149.1945 149.4179 149.8969 150.0265 150.2134 150.3284 150.3890 150.8696 151.2525 151.4046 151.7424 152.0416 152.2620 152.4953 152.8294 152.8450 153.0206 153.3015 153.4170 153.4750 153.5540 153.7589 153.9671 153.9999 154.2290 154.4003 154.8084 154.9529 155.0472 155.0742 155.2975 155.8287 155.9351 155.9751 156.0801 156.1468 156.2675 156.8984 157.1069 157.5671 157.9694 158.3653 159.0120 159.3085 159.5534 160.1971 160.4198 160.6078 160.6832 160.8873 161.2872 161.3296 162.3729 163.3705 163.5789 163.7236 163.8239 164.0176 164.7413 164.7737 165.5182 166.1208 166.5459 167.2671 167.4272 168.1869 168.2255 168.3952 169.4981 169.8708 170.0392 170.4740 170.9047 171.8067 172.4647 173.7631 173.9388 174.7921 175.9120 176.0802 176.4296 176.5879 176.7571 177.1048 177.2799 178.0531 178.5107 179.0037 179.5213 180.1203 180.2955 181.6843 182.6671 183.1170 183.4395 184.6404 184.8398 185.0989 185.3315 185.9904 186.4588 186.7526 186.9676 187.2914 187.3280 188.0678 188.3597 188.4743 188.9186 189.8623 190.6548 191.0476 191.4435 191.5184 191.6025 192.9557 193.0896 195.5816 195.9253 196.0692 196.3529 197.1837 198.2030 200.2188 201.0587 201.1851 201.4001 205.7776 206.5204 207.1993 214.3442 216.7039 261.0280 264.1144 276.2372 616.9082 620.7067 630.0961 632.1415 634.3978 635.0827 636.1351 636.9600 641.6497 644.0533 644.0666 645.6656 646.5042 647.7218 647.9399 648.0280 648.2249 655.1529 887.8118 893.1833 894.9925 900.9695 902.6422 906.7115 1194.8586 1195.3844 1199.0487 1200.3364 1202.7074 1207.9683 1209.6947 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 S O O O O O O O N N N N N N 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 0.880987 -0.506624 -0.507979 -0.515874 -0.486989 -0.507147 -0.301663 -0.301820 -0.193927 -0.101425 -0.116541 -0.136499 -0.426966 -0.424925 -0.112233 -0.018171 0.030628 0.094142 -0.137057 0.291591 -0.172502 -0.167468 -0.185653 0.383101 0.369193 0.281637 0.418231 0.424767 -0.331443 -0.112477 -0.116764 0.118884 0.150887 0.165381 0.178003 0.122243 0.118047 0.114573 0.114919 0.113325 0.114206 0.190853 0.124038 0.147219 0.113754 0.131893 0.114464 0.093460 0.118329 0.142275 0.221117 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 S O O O O O O O N N N N N N 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 15.1190 8.5066 8.5080 8.5159 8.4870 8.5071 8.3017 8.3018 7.1939 7.1014 7.1165 7.1365 7.4270 7.4249 6.1122 6.0182 5.9694 5.9059 6.1371 5.7084 6.1725 6.1675 6.1857 5.6169 5.6308 5.7184 5.5818 5.5752 6.3314 6.1125 6.1168 0.8811 0.8491 0.8346 0.8220 0.8778 0.8820 0.8854 0.8851 0.8867 0.8858 0.8091 0.8760 0.8528 0.8862 0.8681 0.8855 0.9065 0.8817 0.8577 0.7789 16.0000 8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 7.0000 7.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 0.8810 -0.5066 -0.5080 -0.5159 -0.4870 -0.5071 -0.3017 -0.3018 -0.1939 -0.1014 -0.1165 -0.1365 -0.4270 -0.4249 -0.1122 -0.0182 0.0306 0.0941 -0.1371 0.2916 -0.1725 -0.1675 -0.1857 0.3831 0.3692 0.2816 0.4182 0.4248 -0.3314 -0.1125 -0.1168 0.1189 0.1509 0.1654 0.1780 0.1222 0.1180 0.1146 0.1149 0.1133 0.1142 0.1909 0.1240 0.1472 0.1138 0.1319 0.1145 0.0935 0.1183 0.1423 0.2211 5.8078 1.9862 1.9811 1.9766 2.0261 1.9776 2.1193 2.1296 3.0884 3.1557 3.2464 3.1805 2.9661 2.9714 3.8542 3.7519 3.8710 4.0062 4.0252 4.1057 3.9544 3.8868 3.8875 4.3996 4.2501 4.1046 4.0189 3.9828 3.9359 3.8448 3.8336 1.0477 1.0044 1.0285 1.0024 0.9950 0.9951 0.9929 0.9996 1.0075 0.9900 1.0180 0.9929 1.0162 0.9960 0.9936 0.9955 1.0077 0.9945 0.9959 1.0523 5.8078 1.9862 1.9811 1.9766 2.0261 1.9776 2.1193 2.1296 3.0884 3.1557 3.2464 3.1805 2.9661 2.9714 3.8542 3.7519 3.8710 4.0062 4.0252 4.1057 3.9544 3.8868 3.8875 4.3996 4.2501 4.1046 4.0189 3.9828 3.9359 3.8448 3.8336 1.0477 1.0044 1.0285 1.0024 0.9950 0.9951 0.9929 0.9996 1.0075 0.9900 1.0180 0.9929 1.0162 0.9960 0.9936 0.9955 1.0077 0.9945 0.9959 1.0523 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.8606 1.8320 1.0049 0.9373 1.8355 1.9390 1.8573 1.1882 0.8659 1.1930 0.8637 1.1481 0.8800 1.3574 0.9046 0.9139 1.0751 1.2056 0.9528 1.1593 1.1100 0.9315 1.5028 1.3396 1.4414 1.2979 1.3249 1.4584 1.4300 0.8737 1.3830 0.9246 1.3840 1.4705 0.9799 0.9477 0.9817 0.9715 0.9767 0.9798 0.9806 0.9822 0.9815 1.3751 1.3948 0.9773 0.9784 0.9814 0.9784 0.9719 0.9848 0.9796 0 1 0 2 0 8 0 14 3 19 4 23 5 25 6 26 6 29 7 27 7 30 8 23 8 50 9 19 9 21 9 22 10 17 10 25 10 34 11 23 11 24 11 41 12 24 12 26 13 24 13 27 14 15 14 16 15 18 15 19 16 17 16 31 17 20 18 20 18 32 20 33 21 35 21 36 21 37 22 38 22 39 22 40 25 42 26 28 27 28 28 43 29 44 29 45 29 46 30 47 30 48 30 49 -0.030458053 -1913.404447620834 4.46661 -3.97113 0.49548 8.13282 -7.81089 0.32193 12.23962 -11.63045 0.60917 0.84866 2.15713