Orca 5.0.2 RELEASE 1 2 3 4 5 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 F F F O O O O O N N 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 1 1 1 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 405.21960959999967 AuxInfo=1/0/N:21,22,30,29,18,19,14,16,24,13,27,15,11,12,17,25,20,26,23,28,1,2,3,10,9,8,7,6,4,5/E:(1,2)(21,22,23)/CRV:5.3,6.3,7.3,8.3,9.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,24.2,25.2,26.1/rA:51nFFFOOOOO1N2N2C3C3CC3CC3C3C3C3C3CCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s11;s4s11;s11;s5;s12;s12;s14;s16s18;s4s9;s15;s15;s5s9s10;s20;s10s24;s6s8s17;s7s17;s1s2s3s25;s6;s7;s13;s13;s14;s15;s16;s18;s19;s21;s21;s21;s22;s22;s22;s24;s27;s29;s29;s29;s30;s30;s30;/rC:-2.5464,-.9399,-3.6277;-4.3398,-.8338,-2.443;-3.2876,.9684,-2.9651;.5051,-1.9635,.0991;-2.5366,1.0347,1.7498;2.2498,1.4039,2.1929;1.3532,.4338,-2.256;.6001,2.5324,1.1924;-1.0212,-.507,.9982;-2.7576,.3541,-.3473;2.7524,-1.3595,.6097;2.9297,-.101,.0192;1.4276,-1.7677,1.1854;3.8089,-2.2621,.6246;-1.9825,.971,3.0841;4.1582,.2103,-.5552;1.8369,.9005,-.0276;5.0342,-1.9381,.0585;5.2062,-.6999,-.5396;-.5842,-1.225,-.0123;-2.6899,-.114,3.8691;-2.1677,2.3461,3.6862;-2.0793,.2602,.7834;-1.2396,-1.2517,-1.251;-2.3201,-.4159,-1.3373;1.4822,1.6955,1.148;1.1376,1.1294,-1.1551;-3.1236,-.306,-2.6066;1.9951,2.0947,3.4155;.6187,.8167,-3.4181;1.5126,-2.7208,1.707;1.0389,-1.0363,1.8913;3.6685,-3.2347,1.0804;-.9179,.7436,3.0192;4.296,1.1812,-1.0144;5.8452,-2.6541,.0772;6.1535,-.4389,-.9929;-3.7582,.0919,3.9521;-2.2785,-.1628,4.8774;-2.5611,-1.0962,3.414;-1.661,3.1109,3.097;-1.7407,2.3623,4.6886;-3.223,2.6116,3.7686;-.8794,-1.8622,-2.0649;.3495,1.8784,-1.1871;2.7176,1.7099,4.1295;2.1377,3.1697,3.3061;.9882,1.8982,3.785;-.3947,1.1296,-3.1662;.5761,-.0495,-4.0727;1.1283,1.6326,-3.9315; 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 1701 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 222 Dim 1224 ENuc 3248.7975830514 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 5.485e-06 Time for diagonalization 0.646 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.534 sec Total time needed 1.189 sec 9 9 9 8 8 8 8 8 7 7 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 1 405.21960959999967 AuxInfo=1/0/N:21,22,30,29,18,19,14,16,24,13,27,15,11,12,17,25,20,26,23,28,1,2,3,10,9,8,7,6,4,5/E:(1,2)(21,22,23)/CRV:5.3,6.3,7.3,8.3,9.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,24.2,25.2,26.1/rA:51nFFFOOOOO1N2N2C3C3CC3CC3C3C3C3C3CCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s11;s4s11;s11;s5;s12;s12;s14;s16s18;s4s9;s15;s15;s5s9s10;s20;s10s24;s6s8s17;s7s17;s1s2s3s25;s6;s7;s13;s13;s14;s15;s16;s18;s19;s21;s21;s21;s22;s22;s22;s24;s27;s29;s29;s29;s30;s30;s30;/rC:-2.5464,-.9399,-3.6277;-4.3398,-.8338,-2.443;-3.2876,.9684,-2.9651;.5051,-1.9635,.0991;-2.5366,1.0347,1.7498;2.2498,1.4039,2.1929;1.3532,.4338,-2.256;.6001,2.5324,1.1924;-1.0212,-.507,.9982;-2.7576,.3541,-.3473;2.7524,-1.3595,.6097;2.9297,-.101,.0192;1.4276,-1.7677,1.1855;3.8089,-2.2621,.6246;-1.9825,.971,3.0841;4.1582,.2103,-.5552;1.8369,.9005,-.0276;5.0342,-1.9381,.0585;5.2062,-.6999,-.5396;-.5842,-1.225,-.0123;-2.6899,-.114,3.8691;-2.1677,2.3461,3.6862;-2.0793,.2602,.7834;-1.2396,-1.2517,-1.251;-2.3201,-.4159,-1.3373;1.4822,1.6955,1.148;1.1376,1.1294,-1.1551;-3.1236,-.306,-2.6066;1.9951,2.0947,3.4155;.6187,.8167,-3.4181;1.5126,-2.7208,1.707;1.0389,-1.0363,1.8913;3.6685,-3.2347,1.0804;-.9179,.7436,3.0192;4.296,1.1812,-1.0144;5.8452,-2.6541,.0772;6.1535,-.4389,-.9929;-3.7582,.0919,3.9521;-2.2785,-.1628,4.8774;-2.5611,-1.0962,3.414;-1.661,3.1109,3.097;-1.7407,2.3623,4.6886;-3.223,2.6116,3.7686;-.8794,-1.8622,-2.0649;.3495,1.8784,-1.1871;2.7176,1.7099,4.1295;2.1377,3.1697,3.3061;.9882,1.8982,3.785;-.3947,1.1296,-3.1662;.5761,-.0495,-4.0727;1.1283,1.6326,-3.9315; 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" 405.21960959999967 AuxInfo=1/0/N:21,22,30,29,18,19,14,16,24,13,27,15,11,12,17,25,20,26,23,28,1,2,3,10,9,8,7,6,4,5/E:(1,2)(21,22,23)/CRV:5.3,6.3,7.3,8.3,9.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,24.2,25.2,26.1/rA:51nFFFOOOOO1N2N2C3C3CC3CC3C3C3C3C3CCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s11;s4s11;s11;s5;s12;s12;s14;s16s18;s4s9;s15;s15;s5s9s10;s20;s10s24;s6s8s17;s7s17;s1s2s3s25;s6;s7;s13;s13;s14;s15;s16;s18;s19;s21;s21;s21;s22;s22;s22;s24;s27;s29;s29;s29;s30;s30;s30;/rC:-2.5464,-.9399,-3.6277;-4.3398,-.8338,-2.443;-3.2876,.9684,-2.9651;.5051,-1.9635,.0991;-2.5366,1.0347,1.7498;2.2498,1.4039,2.1929;1.3532,.4338,-2.256;.6001,2.5324,1.1924;-1.0212,-.507,.9982;-2.7576,.3541,-.3473;2.7524,-1.3595,.6097;2.9297,-.101,.0192;1.4276,-1.7677,1.1854;3.8089,-2.2621,.6246;-1.9825,.971,3.0841;4.1582,.2103,-.5552;1.8369,.9005,-.0276;5.0342,-1.9381,.0585;5.2062,-.6999,-.5396;-.5842,-1.225,-.0123;-2.6899,-.114,3.8691;-2.1677,2.3461,3.6862;-2.0793,.2602,.7834;-1.2396,-1.2517,-1.251;-2.3201,-.4159,-1.3373;1.4822,1.6955,1.148;1.1376,1.1294,-1.1551;-3.1236,-.306,-2.6066;1.9951,2.0947,3.4155;.6187,.8167,-3.4181;1.5126,-2.7208,1.707;1.0389,-1.0363,1.8913;3.6685,-3.2347,1.0804;-.9179,.7436,3.0192;4.296,1.1812,-1.0144;5.8452,-2.6541,.0772;6.1535,-.4389,-.9929;-3.7582,.0919,3.9521;-2.2785,-.1628,4.8774;-2.5611,-1.0962,3.414;-1.661,3.1109,3.097;-1.7407,2.3623,4.6886;-3.223,2.6116,3.7686;-.8794,-1.8622,-2.0649;.3495,1.8784,-1.1871;2.7176,1.7099,4.1295;2.1377,3.1697,3.3061;.9882,1.8982,3.785;-.3947,1.1296,-3.1662;.5761,-.0495,-4.0727;1.1283,1.6326,-3.9315; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM F O N C H 1.7300 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 3034 GEPOL Volume 2685.0835 GEPOL Surface-area 1533.0454 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -1560.13003714 3248.79758305 -4808.92762019 -8601.62620441 3792.69858422 -0.04533903 -3114.12306524 1553.99302810 2.00394919 111.000236486819 111.000236486819 222.000472973639 -142.340199275416 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -675.6168 -675.5565 -675.5556 -524.8427 -524.8241 -524.7414 -524.5557 -522.9816 -392.7036 -392.6611 -286.7349 -283.4615 -283.4075 -283.1000 -281.8382 -281.7934 -281.2353 -281.2252 -280.8824 -280.8298 -280.2211 -280.1170 -280.0751 -279.8815 -279.7689 -279.7586 -279.7426 -279.7239 -279.1661 -279.1640 -39.4388 -36.9184 -36.8636 -33.6071 -33.4592 -33.1649 -32.9929 -30.9789 -30.2462 -28.0660 -27.0456 -25.6559 -25.4517 -24.7064 -24.3100 -23.4964 -23.3995 -23.2792 -22.2965 -22.0087 -21.8908 -21.3384 -20.8462 -19.9809 -19.9306 -19.5303 -19.4332 -19.3768 -19.2263 -18.3831 -18.1514 -17.8843 -17.6634 -17.4173 -16.8977 -16.7984 -16.6883 -16.3657 -16.1565 -16.0664 -15.9958 -15.9570 -15.8745 -15.7738 -15.6355 -15.3571 -15.1157 -14.9496 -14.9352 -14.7778 -14.6128 -14.2904 -14.2859 -14.1192 -13.9724 -13.7211 -13.6505 -13.5795 -13.5262 -13.1671 -13.0987 -12.9848 -12.8465 -12.7479 -12.4871 -12.4475 -12.3799 -12.2735 -11.9584 -11.8372 -11.7439 -11.7098 -11.4432 -11.0863 -10.6852 -10.6187 -10.2311 -9.4220 -9.4097 -9.1266 -8.8362 0.6521 1.0111 1.4513 1.5612 1.7878 3.1682 3.6006 3.8899 4.0930 4.1146 4.2717 4.3527 4.5063 4.5756 4.8192 4.9272 4.9655 5.1099 5.1704 5.2820 5.2879 5.4044 5.5615 5.6382 5.7593 5.8401 5.8807 5.9498 6.0020 6.1118 6.2340 6.2821 6.4276 6.5410 6.6325 6.7393 6.7998 6.9762 7.0016 7.2095 7.3037 7.4427 7.4989 7.5588 7.7207 7.9491 8.0662 8.0955 8.1332 8.2945 8.4169 8.5119 8.6561 8.8307 8.8542 8.9833 9.0075 9.0458 9.1140 9.2222 9.2818 9.4081 9.5806 9.7733 9.9180 9.9588 10.0339 10.0844 10.2383 10.4031 10.4373 10.6119 10.7062 10.7517 10.9068 10.9687 11.0390 11.2025 11.2268 11.2674 11.4872 11.5725 11.6879 11.8490 11.8683 12.0620 12.1617 12.1819 12.3066 12.5557 12.6271 12.6626 12.7438 12.9271 13.0387 13.0640 13.1515 13.2546 13.3525 13.4600 13.5481 13.6404 13.6588 13.8128 14.0800 14.1657 14.2206 14.2839 14.3992 14.4834 14.5967 14.6992 14.7544 14.8093 14.9703 15.0069 15.0727 15.1484 15.1678 15.3007 15.3265 15.4430 15.4823 15.6722 15.6897 15.8456 15.9336 16.0512 16.1466 16.1995 16.2481 16.4384 16.5613 16.5822 16.7867 16.8028 17.0570 17.1528 17.2314 17.3848 17.5438 17.5965 17.6810 17.8506 17.9810 18.0462 18.1457 18.3957 18.4629 18.6006 18.7839 18.8685 19.0720 19.2154 19.3151 19.3886 19.7107 19.9630 20.1342 20.1768 20.3231 20.5894 20.6697 20.7722 20.9922 21.0559 21.0984 21.2529 21.3007 21.4639 21.5891 21.7081 21.7894 21.9624 21.9679 22.1628 22.3210 22.4637 22.6589 22.7466 22.7913 22.8947 23.0062 23.1823 23.2325 23.3464 23.4847 23.6304 23.6680 23.8173 24.0321 24.1269 24.2589 24.3328 24.3797 24.4340 24.5990 24.6938 24.8450 24.9242 25.1323 25.2440 25.3540 25.4047 25.6470 25.8681 25.9267 26.0065 26.1252 26.2188 26.2968 26.4628 26.5531 26.7165 26.7494 26.9068 27.0870 27.3204 27.3756 27.4352 27.7520 27.8025 27.8964 28.0514 28.2084 28.2787 28.4276 28.6097 28.6956 28.7631 28.9846 29.1339 29.1904 29.2267 29.2791 29.5024 29.6605 29.7734 29.8774 29.9697 30.0881 30.2828 30.3257 30.4840 30.5444 30.6255 30.7631 30.9866 30.9978 31.5384 31.5672 31.6407 31.8450 31.9244 32.0646 32.3974 32.4536 32.5546 32.7377 32.8688 32.9306 33.0305 33.3638 33.4038 33.4838 33.5314 33.7687 33.8844 33.9595 33.9984 34.2144 34.4754 34.6312 34.7149 34.9063 35.0149 35.1502 35.2565 35.4271 35.5601 35.7285 35.7510 36.0234 36.2314 36.3212 36.4387 36.6355 36.7064 37.0241 37.1101 37.2473 37.3734 37.5625 37.6513 37.6998 37.8813 38.0086 38.2085 38.3674 38.4925 38.6073 38.7277 38.7693 39.0940 39.1530 39.1807 39.4488 39.5257 39.7575 39.8701 39.9655 40.0850 40.2339 40.3261 40.5051 40.7316 40.8298 40.9052 41.0098 41.2157 41.4139 41.4678 41.6187 41.7841 41.8684 42.0005 42.1905 42.2466 42.6050 42.7019 42.8789 42.8961 43.0415 43.1922 43.2129 43.4011 43.5400 43.5811 43.6285 43.7267 44.0439 44.1367 44.2511 44.4551 44.6148 44.7670 44.8712 45.0013 45.2076 45.3391 45.5698 45.6273 45.8077 45.9485 46.1077 46.2529 46.4665 46.5837 46.7887 46.9441 47.0066 47.1323 47.2218 47.4575 47.6785 47.8037 47.8560 48.0689 48.1533 48.3205 48.3636 48.4617 48.6959 48.9097 48.9966 49.2829 49.4795 49.6405 49.9691 50.0932 50.3491 50.5407 50.7139 50.8532 50.9851 51.0352 51.3570 51.7787 51.8679 51.9709 52.2078 52.6550 52.7651 52.8920 53.0020 53.2960 53.6115 53.6461 53.7748 54.0341 54.2329 54.3686 54.7981 54.9572 55.1778 55.4303 55.6314 55.8775 55.9167 56.2896 56.5528 56.6363 56.9440 57.0811 57.1430 57.3030 57.5373 57.6172 57.8738 58.0366 58.2299 58.3211 58.6519 58.8513 59.0338 59.3892 59.5099 59.5897 59.8372 59.9002 60.1147 60.2472 60.3359 60.5360 60.7143 60.8891 61.2254 61.3895 61.7442 61.9199 61.9827 62.3899 62.6746 62.8379 63.2262 63.3532 63.8174 63.8557 63.9389 64.0676 64.2092 64.3729 64.4516 64.8010 64.9448 65.5555 65.6248 65.7315 65.9142 66.0378 66.1403 66.3506 66.7694 66.7939 66.9438 67.2001 67.5147 67.6211 67.7447 67.8685 68.2113 68.3971 68.5321 68.7588 68.8234 69.1441 69.4393 70.0023 70.0839 70.3671 70.5542 70.8154 70.9175 71.2283 71.5170 71.8933 71.9546 72.0803 72.2031 72.3899 72.6666 72.7138 73.0241 73.2794 73.4186 73.5881 73.6425 73.8314 73.9243 74.4786 74.7363 75.0687 75.1422 75.6131 75.6688 75.7445 75.9268 76.1376 76.4206 76.5727 76.6134 76.8170 77.0369 77.1085 77.4672 77.5390 77.7547 78.0226 78.0707 78.2664 78.4960 78.6336 78.7378 78.9217 79.2138 79.3073 79.3889 79.4784 79.5768 79.6649 79.9111 80.1077 80.2007 80.4025 80.4664 80.6966 80.7746 80.9464 81.0598 81.2434 81.2961 81.5384 81.7040 81.7555 81.8083 81.8761 81.9954 82.1580 82.2408 82.4271 82.6048 82.7998 82.8994 83.1150 83.2095 83.3550 83.4026 83.4639 83.5414 83.6959 83.7356 83.8725 83.9840 84.0684 84.1623 84.2862 84.3450 84.4838 84.6079 84.7579 84.8459 84.9873 85.0713 85.1305 85.3423 85.4121 85.6318 85.6822 85.8777 85.9276 86.0133 86.0775 86.2540 86.3087 86.3618 86.6496 86.8561 86.9250 87.0168 87.1209 87.1904 87.2898 87.5633 87.6422 87.9649 88.0269 88.1245 88.2286 88.2892 88.4308 88.5917 88.7197 88.9122 89.0149 89.1616 89.2120 89.3603 89.3743 89.6129 89.7285 89.7952 89.9309 90.0973 90.2081 90.2445 90.5006 90.6615 90.7269 90.8889 91.0893 91.1672 91.2576 91.3351 91.3602 91.5106 91.7439 91.8616 91.9778 92.0898 92.2747 92.5256 92.6687 92.7258 92.8927 93.1407 93.1657 93.2456 93.2583 93.5391 93.6752 93.7477 93.7764 93.9406 94.0173 94.0791 94.2281 94.3386 94.4628 94.5835 94.6931 94.8132 94.9154 95.0662 95.2719 95.3563 95.4545 95.5563 95.7678 95.8135 95.9500 96.1420 96.2017 96.3343 96.5118 96.7067 96.8472 96.9354 97.1941 97.2554 97.4016 97.5563 97.6227 97.7264 97.8228 97.9930 98.0497 98.1788 98.2520 98.4934 98.5920 98.6773 98.8554 98.9402 99.2500 99.2542 99.4857 99.4971 99.7745 100.0252 100.2654 100.5787 100.6428 100.7741 100.8347 100.9595 101.0816 101.2770 101.4445 101.6868 102.0961 102.1949 102.4842 102.5031 102.7458 102.8702 103.0173 103.1237 103.2741 103.4777 103.6148 103.7892 103.8096 104.0686 104.2988 104.3458 104.6841 104.7619 104.9403 105.1256 105.3886 105.4081 105.6753 105.7574 105.8497 105.9844 106.1717 106.2789 106.5125 106.6241 106.9258 107.0349 107.2210 107.3166 107.4673 107.7198 107.8381 107.9819 108.1544 108.1863 108.4117 108.4304 108.5395 108.9463 108.9997 109.0609 109.1771 109.2119 109.2859 109.5659 109.6646 109.9125 110.0564 110.1860 110.4535 110.6164 110.7381 110.9462 111.0945 111.2162 111.3437 111.3863 111.4334 111.6973 111.7315 111.9336 112.1317 112.1868 112.4365 112.5165 112.7996 112.9577 113.1728 113.3252 113.4004 113.6265 113.7521 113.7553 113.9351 114.1051 114.2235 114.3363 114.4196 114.6675 114.7840 114.8568 114.9518 115.0464 115.2172 115.3940 115.5461 115.7798 115.9854 116.1101 116.2506 116.4349 116.5990 116.6789 116.8005 116.9366 117.1689 117.2673 117.5218 117.5516 117.6510 117.7388 118.0364 118.1173 118.2641 118.2853 118.7046 118.8331 119.0371 119.3454 119.4463 119.5135 119.6235 119.6337 120.0109 120.1422 120.5673 120.7330 120.8201 121.0146 121.3107 121.3516 121.7944 122.0093 122.1539 122.3769 122.7612 122.9773 123.1441 123.4084 123.5156 124.0037 124.1824 124.4864 124.5949 124.7650 124.9439 125.2644 125.4823 125.7479 126.1438 126.3757 126.5895 126.8776 126.9842 127.2404 127.6159 127.7035 127.8901 128.2579 128.5690 128.8314 128.8618 129.1996 129.2443 129.3846 129.6315 129.8074 130.1193 130.3778 130.6384 130.8181 131.0405 131.3231 131.6656 131.7973 132.3163 132.5857 132.8287 132.9822 133.0596 133.1444 133.3466 133.7124 133.8969 134.1066 134.2965 134.6839 134.8050 135.0925 135.5524 135.8210 135.9849 136.0687 136.2178 136.4446 136.6279 136.9050 137.0009 137.3026 137.5589 137.9077 138.1478 138.4531 138.6487 139.1939 139.2814 139.6446 139.8161 139.9221 140.1317 140.3956 140.8799 140.9866 141.3301 141.4872 141.6431 141.8441 142.2071 142.3752 142.4948 142.7577 142.8494 143.0707 143.3622 143.5323 143.8158 144.0961 144.1822 144.4031 144.5484 144.6794 144.7412 145.3427 145.5197 145.6875 145.9525 146.0218 146.5291 146.8143 146.9529 147.1836 147.2929 147.4313 147.6265 147.9847 148.0558 148.2811 148.4377 148.6240 148.9495 149.0103 149.1716 149.3130 149.5644 149.6872 149.8999 150.1147 150.2980 150.5944 150.9932 151.1666 151.2751 151.7548 152.2017 152.3619 152.6373 152.9058 153.0100 153.3643 153.4987 153.7137 153.9586 154.2868 154.5645 154.6567 154.8123 154.9669 155.2368 155.6527 155.7488 156.1328 156.4063 156.6393 157.0891 157.1379 157.4691 157.6141 157.6668 157.8794 158.5643 158.8059 159.0277 159.3446 159.7596 160.2825 161.3195 161.5206 163.0903 163.5855 164.1057 164.3260 164.6337 164.9660 165.4081 165.5233 166.6520 167.0534 167.4714 167.6144 168.2873 168.7941 168.8151 169.6669 170.2140 170.8901 172.2891 172.5823 174.0255 174.2513 176.8884 178.4093 179.0729 179.4831 181.2396 182.3127 182.8029 184.3589 185.3570 185.4010 185.9242 186.3381 186.6861 186.9280 187.3159 188.4242 188.5050 188.7272 188.8660 188.9135 189.0124 189.0815 189.1764 189.5389 189.5890 189.8841 190.3435 192.2862 192.4316 192.5587 192.7193 192.8961 193.2567 193.5075 194.3151 194.6353 195.1484 195.4486 196.5129 196.7152 198.9197 200.7190 201.3217 201.8823 202.8601 203.1874 204.5179 205.1177 206.7130 206.8753 207.0959 207.4732 207.8196 209.3372 210.1832 227.7411 228.5236 228.7460 232.6416 233.0468 235.4997 238.9111 240.9811 241.5653 244.3712 245.8759 246.9849 247.4688 250.1510 251.6075 617.9839 626.1160 628.7066 630.0085 632.9002 633.7178 635.3731 636.1669 636.5543 637.1815 640.2521 641.7386 643.3410 644.1863 644.3862 645.7925 646.1516 648.3178 648.9978 660.6486 887.4755 896.8375 1201.1001 1209.3507 1210.2712 1214.0674 1215.1986 1558.2771 1561.2691 1563.0986 -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 F F F O O O O O N N 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 -0.176934 -0.173222 -0.174752 -0.287723 -0.306417 -0.286949 -0.290491 -0.523702 -0.379736 -0.377874 -0.165503 0.020165 0.016508 -0.082314 0.189381 -0.215074 -0.098173 -0.169520 -0.152162 0.384310 -0.280300 -0.267031 0.428005 -0.269993 0.127829 0.512144 0.243314 0.519730 -0.137124 -0.118703 0.114666 0.129125 0.146077 0.049192 0.144690 0.161722 0.160648 0.095165 0.099885 0.096848 0.095878 0.097215 0.101069 0.143061 0.126152 0.129542 0.122728 0.113008 0.102430 0.127950 0.135257 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 F F F O O O O O N N 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 9.1769 9.1732 9.1748 8.2877 8.3064 8.2869 8.2905 8.5237 7.3797 7.3779 6.1655 5.9798 5.9835 6.0823 5.8106 6.2151 6.0982 6.1695 6.1522 5.6157 6.2803 6.2670 5.5720 6.2700 5.8722 5.4879 5.7567 5.4803 6.1371 6.1187 0.8853 0.8709 0.8539 0.9508 0.8553 0.8383 0.8394 0.9048 0.9001 0.9032 0.9041 0.9028 0.8989 0.8569 0.8738 0.8705 0.8773 0.8870 0.8976 0.8721 0.8647 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 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 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 -0.1769 -0.1732 -0.1748 -0.2877 -0.3064 -0.2869 -0.2905 -0.5237 -0.3797 -0.3779 -0.1655 0.0202 0.0165 -0.0823 0.1894 -0.2151 -0.0982 -0.1695 -0.1522 0.3843 -0.2803 -0.2670 0.4280 -0.2700 0.1278 0.5121 0.2433 0.5197 -0.1371 -0.1187 0.1147 0.1291 0.1461 0.0492 0.1447 0.1617 0.1606 0.0952 0.0999 0.0968 0.0959 0.0972 0.1011 0.1431 0.1262 0.1295 0.1227 0.1130 0.1024 0.1279 0.1353 1.1271 1.1321 1.1273 2.1306 2.0981 2.1167 2.1025 1.9763 2.9204 3.0094 3.8242 3.4154 3.8656 3.8700 3.8025 3.9826 3.3409 3.9102 3.8956 4.0475 3.9434 3.9169 4.2559 3.9066 3.8981 4.0740 3.9121 4.4856 3.8776 3.8439 1.0070 1.0123 1.0009 1.0162 1.0089 0.9894 0.9906 1.0068 1.0045 1.0097 1.0143 1.0023 1.0098 1.0208 1.0212 0.9967 0.9934 0.9804 0.9982 0.9898 0.9930 1.1271 1.1321 1.1273 2.1306 2.0981 2.1167 2.1025 1.9763 2.9204 3.0094 3.8242 3.4154 3.8656 3.8700 3.8025 3.9826 3.3409 3.9102 3.8956 4.0475 3.9434 3.9169 4.2559 3.9066 3.8981 4.0740 3.9121 4.4856 3.8776 3.8439 1.0070 1.0123 1.0009 1.0162 1.0089 0.9894 0.9906 1.0068 1.0045 1.0097 1.0143 1.0023 1.0098 1.0208 1.0212 0.9967 0.9934 0.9804 0.9982 0.9898 0.9930 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 1.1238 1.1417 1.1288 0.8630 1.1947 0.8232 1.2546 1.2113 0.8745 1.1776 0.8678 1.7994 1.4297 1.3360 1.5042 1.3844 1.2694 0.9731 1.4400 1.3758 0.8473 0.9846 1.0224 1.4101 0.9762 0.9634 0.9561 1.0007 1.4455 0.9893 1.0779 1.6623 1.4134 0.9834 0.9813 1.2651 0.9915 0.9868 0.9837 0.9914 0.9875 0.9869 1.4441 0.9851 1.0109 0.9946 0.9838 0.9821 0.9768 0.9739 0.9801 0.9831 0 27 1 27 2 27 3 12 3 19 4 14 4 22 5 25 5 28 6 26 6 29 7 25 8 19 8 22 9 22 9 24 10 11 10 12 10 13 11 15 11 16 12 30 12 31 13 17 13 32 14 20 14 21 14 33 15 18 15 34 16 25 16 26 17 18 17 35 18 36 19 23 20 37 20 38 20 39 21 40 21 41 21 42 23 24 23 43 24 27 26 44 28 45 28 46 28 47 29 48 29 49 29 50 -0.032211861 -1560.162248999611 21.78250 -19.48707 2.29544 7.20402 -8.21968 -1.01566 33.04453 -32.18327 0.86126 2.65374 6.74528