Orca 5.0.2 RELEASE 1 2 3 4 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 S O O O O C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 372.3086999999997 AuxInfo=1/0/N:9,10,28,26,27,24,25,14,16,22,19,11,20,17,23,18,13,21,7,8,12,15,6,3,4,5,2,1/E:(1,2)(4,5)(6,7)/CRV:3.3,4.3,5.3,6.3,7.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,22.3,24.1,25.1/rA:52nSOO1O1OCCCCCC3C3C3CC3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s2s3s8;s11;s13;s1s4s13;s1s14;s2;s17;s18;s5s18;s5s19;s21;s22;s23;s23;s24;s25;s26s27;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s16;s17;s17;s19;s20;s22;s22;s24;s25;s26;s27;s28;/rC:-1.6181,-1.3276,-1.1191;2.3107,1.5196,-1.1131;3.4079,1.9552,.7863;-.5444,-1.8042,1.2302;-1.0841,1.5056,1.5307;4.6419,-.8849,.3673;3.4472,-1.2949,-.4539;4.0566,.0959,-.5961;4.5011,-.7098,1.8595;5.9666,-1.488,-.0345;2.101,-1.4199,.1309;3.2464,1.2783,-.2003;.9881,-1.5027,-.6032;.8815,-1.4787,-2.094;-.3325,-1.5858,.0566;-.4632,-.8451,-2.44;1.4197,2.6275,-.9169;.235,2.263,-.0852;-1.1311,2.5322,-.4237;.1965,1.6362,1.1159;-1.8892,2.0563,.5919;-3.3552,2.0201,.8376;-3.9422,.6359,.6929;-4.7245,.3146,-.4108;-3.686,-.3509,1.6414;-5.2379,-.9659,-.5696;-4.1878,-1.6346,1.4802;-4.9665,-1.9466,.3733;3.6368,-1.9431,-1.3035;4.5956,.2594,-1.5256;3.5504,-.2855,2.174;4.6058,-1.6781,2.3516;5.2897,-.0604,2.2413;6.0423,-1.6187,-1.1148;6.7941,-.8509,.2827;6.102,-2.4662,.4301;2.0049,-1.4169,1.2122;.9179,-2.4992,-2.4846;1.6941,-.923,-2.561;-.851,-1.1871,-3.3967;-.3985,.2428,-2.4602;1.9624,3.4778,-.5008;1.0928,2.9065,-1.9168;-1.4904,3.0199,-1.3165;.9518,1.2398,1.7753;-3.568,2.4134,1.8359;-3.828,2.6978,.1264;-4.9339,1.0729,-1.1562;-3.0946,-.1189,2.5186;-5.8485,-1.1971,-1.4332;-3.9767,-2.3904,2.2259;-5.3617,-2.9467,.2501; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1638 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 210 Dim 1215 ENuc 2916.7646710630 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 7.615e-06 Time for diagonalization 1.659 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.714 sec Total time needed 2.395 sec 16 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 372.3086999999997 AuxInfo=1/0/N:9,10,28,26,27,24,25,14,16,22,19,11,20,17,23,18,13,21,7,8,12,15,6,3,4,5,2,1/E:(1,2)(4,5)(6,7)/CRV:3.3,4.3,5.3,6.3,7.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,22.3,24.1,25.1/rA:52nSOO1O1OCCCCCC3C3C3CC3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s2s3s8;s11;s13;s1s4s13;s1s14;s2;s17;s18;s5s18;s5s19;s21;s22;s23;s23;s24;s25;s26s27;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s16;s17;s17;s19;s20;s22;s22;s24;s25;s26;s27;s28;/rC:-1.6181,-1.3276,-1.1191;2.3107,1.5196,-1.1131;3.4079,1.9552,.7863;-.5444,-1.8042,1.2302;-1.0841,1.5056,1.5307;4.6419,-.8849,.3673;3.4472,-1.2949,-.4539;4.0566,.0959,-.5961;4.5011,-.7098,1.8595;5.9666,-1.488,-.0345;2.101,-1.4199,.1309;3.2464,1.2783,-.2003;.9881,-1.5027,-.6032;.8815,-1.4787,-2.094;-.3325,-1.5858,.0566;-.4632,-.8451,-2.44;1.4197,2.6275,-.9169;.235,2.263,-.0852;-1.1311,2.5322,-.4237;.1965,1.6362,1.1159;-1.8892,2.0563,.5919;-3.3552,2.0201,.8376;-3.9422,.6359,.6929;-4.7245,.3146,-.4108;-3.686,-.3509,1.6414;-5.2379,-.9659,-.5696;-4.1878,-1.6346,1.4802;-4.9665,-1.9466,.3733;3.6368,-1.9431,-1.3035;4.5956,.2594,-1.5256;3.5504,-.2855,2.174;4.6058,-1.6781,2.3516;5.2897,-.0604,2.2413;6.0423,-1.6187,-1.1148;6.7941,-.8509,.2827;6.102,-2.4662,.4301;2.0049,-1.4169,1.2122;.9179,-2.4992,-2.4846;1.6941,-.923,-2.561;-.851,-1.1871,-3.3967;-.3985,.2428,-2.4602;1.9624,3.4778,-.5008;1.0928,2.9065,-1.9168;-1.4904,3.0199,-1.3165;.9518,1.2398,1.7753;-3.568,2.4134,1.8359;-3.828,2.6978,.1264;-4.9339,1.0729,-1.1562;-3.0946,-.1189,2.5186;-5.8485,-1.1971,-1.4332;-3.9767,-2.3904,2.2259;-5.3617,-2.9467,.2501; 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" 372.3086999999997 AuxInfo=1/0/N:9,10,28,26,27,24,25,14,16,22,19,11,20,17,23,18,13,21,7,8,12,15,6,3,4,5,2,1/E:(1,2)(4,5)(6,7)/CRV:3.3,4.3,5.3,6.3,7.3,11.3,12.3,13.3,15.3,16.3,17.3,18.3,21.3,22.3,24.1,25.1/rA:52nSOO1O1OCCCCCC3C3C3CC3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6s7;s6;s6;s7;s2s3s8;s11;s13;s1s4s13;s1s14;s2;s17;s18;s5s18;s5s19;s21;s22;s23;s23;s24;s25;s26s27;s7;s8;s9;s9;s9;s10;s10;s10;s11;s14;s14;s16;s16;s17;s17;s19;s20;s22;s22;s24;s25;s26;s27;s28;/rC:-1.6181,-1.3276,-1.1191;2.3107,1.5196,-1.1131;3.4079,1.9552,.7863;-.5444,-1.8042,1.2302;-1.0841,1.5056,1.5307;4.6419,-.8849,.3673;3.4472,-1.2949,-.4539;4.0566,.0959,-.5961;4.5011,-.7098,1.8595;5.9666,-1.488,-.0345;2.101,-1.4199,.1309;3.2464,1.2783,-.2003;.9881,-1.5027,-.6032;.8815,-1.4787,-2.094;-.3325,-1.5858,.0566;-.4632,-.8451,-2.44;1.4197,2.6275,-.9169;.235,2.263,-.0852;-1.1311,2.5322,-.4237;.1965,1.6362,1.1159;-1.8892,2.0563,.5919;-3.3552,2.0201,.8376;-3.9422,.6359,.6929;-4.7245,.3146,-.4108;-3.686,-.3509,1.6414;-5.2379,-.9659,-.5696;-4.1878,-1.6346,1.4802;-4.9665,-1.9466,.3733;3.6368,-1.9431,-1.3035;4.5956,.2594,-1.5256;3.5504,-.2855,2.174;4.6058,-1.6781,2.3516;5.2897,-.0604,2.2413;6.0423,-1.6187,-1.1148;6.7941,-.8509,.2827;6.102,-2.4662,.4301;2.0049,-1.4169,1.2122;.9179,-2.4992,-2.4846;1.6941,-.923,-2.561;-.851,-1.1871,-3.3967;-.3985,.2428,-2.4602;1.9624,3.4778,-.5008;1.0928,2.9065,-1.9168;-1.4904,3.0199,-1.3165;.9518,1.2398,1.7753;-3.568,2.4134,1.8359;-3.828,2.6978,.1264;-4.9339,1.0729,-1.1562;-3.0946,-.1189,2.5186;-5.8485,-1.1971,-1.4332;-3.9767,-2.3904,2.2259;-5.3617,-2.9467,.2501; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM S O C H 2.4900 1.5200 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 3023 GEPOL Volume 2713.1216 GEPOL Surface-area 1443.4732 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.0s) Overall time for CPCM initialization 1.1s -1590.09046047 2916.76467106 -4506.85513153 -7975.44166390 3468.58653237 -0.04674790 -3174.31384840 1584.22338793 2.00370344 105.000201222201 105.000201222201 210.000402444402 -135.015162092967 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2420.6521 -525.1910 -524.8118 -523.2799 -523.2531 -283.5503 -282.8121 -281.3142 -281.1206 -280.8472 -280.4297 -280.2778 -280.1729 -280.1682 -280.1162 -280.0580 -279.9246 -279.8347 -279.8235 -279.8119 -279.6075 -279.5961 -279.5507 -279.5408 -279.5385 -279.4216 -279.1858 -279.1722 -219.1927 -163.4995 -163.3948 -163.3032 -33.7492 -33.6367 -31.9607 -31.2449 -27.5725 -26.6666 -26.5107 -25.4701 -24.9487 -24.4933 -23.7179 -23.3964 -23.2933 -22.7647 -22.6096 -21.8875 -21.5865 -21.3570 -20.3383 -19.4887 -19.3241 -19.0462 -18.9416 -18.3612 -17.6107 -17.5385 -17.2694 -17.1467 -16.6885 -16.5174 -16.1782 -16.0888 -15.9675 -15.7245 -15.6031 -15.3081 -15.1031 -14.9540 -14.9045 -14.5145 -14.4896 -14.2960 -14.1019 -14.0265 -13.9540 -13.8911 -13.7544 -13.5208 -13.3553 -13.2775 -13.1168 -13.0312 -12.9330 -12.8478 -12.7230 -12.6283 -12.3676 -12.2746 -11.7867 -11.7389 -11.6015 -11.4347 -11.2516 -11.0848 -10.5655 -10.2761 -10.0653 -9.7654 -9.5254 -9.2438 -9.1923 -8.7897 -8.3518 0.2944 1.6339 1.7679 1.9765 2.3760 2.6730 3.2518 3.3931 3.6277 3.6800 3.7171 4.0751 4.1592 4.2747 4.4425 4.5174 4.5999 4.7363 4.8971 4.9374 4.9910 5.1073 5.1861 5.2454 5.3479 5.4863 5.6291 5.6734 5.9094 6.0503 6.0667 6.1552 6.2861 6.3648 6.4219 6.5132 6.6100 6.6399 6.7167 6.8502 6.9575 7.0179 7.0712 7.2930 7.3236 7.3571 7.5890 7.6948 7.8309 7.8652 7.9051 8.1704 8.2627 8.3776 8.4209 8.5540 8.6212 8.7954 8.9616 8.9619 9.1138 9.1214 9.1541 9.4043 9.4912 9.6942 9.8276 9.8741 9.9818 10.0707 10.1521 10.2164 10.3207 10.3614 10.6167 10.8024 10.8873 10.9289 11.0424 11.0654 11.2449 11.3097 11.4945 11.5644 11.6778 11.7560 11.8903 12.0182 12.0430 12.1843 12.2242 12.3205 12.5043 12.5799 12.6126 12.7198 12.8195 12.8477 12.9526 13.0352 13.1304 13.1770 13.3094 13.3318 13.5011 13.5504 13.7159 13.7712 13.8337 13.8656 13.9506 14.0035 14.0558 14.1701 14.2906 14.3830 14.4971 14.5258 14.6196 14.7114 14.7860 14.8268 14.8841 14.9256 15.0083 15.2173 15.2720 15.3451 15.4622 15.5087 15.5837 15.7579 15.7988 15.9297 16.0346 16.2080 16.2776 16.2863 16.3864 16.4651 16.6853 16.7505 16.7599 16.8745 17.0758 17.1078 17.2213 17.3130 17.3856 17.5104 17.5252 17.6849 17.7946 17.8680 18.0113 18.1402 18.4077 18.5276 18.5405 18.7346 18.8204 19.0335 19.0881 19.4244 19.4340 19.6075 19.6867 19.8587 20.0126 20.0343 20.1753 20.4225 20.4623 20.5355 20.6675 20.7781 20.9818 21.0670 21.2688 21.4160 21.4547 21.7079 21.7798 21.9282 22.1361 22.2812 22.3330 22.4509 22.5712 22.8560 22.8961 22.9870 23.0824 23.2486 23.4235 23.5072 23.5437 23.6218 23.8237 23.8670 24.0402 24.2166 24.4424 24.6289 24.8666 24.9257 24.9937 25.1538 25.3545 25.4730 25.6780 25.8351 25.9506 26.1068 26.1565 26.1846 26.4299 26.4526 26.6782 26.8204 26.9238 27.0254 27.1441 27.4684 27.5819 27.6376 27.7054 27.7289 27.9842 28.1518 28.2369 28.3827 28.4531 28.4822 28.7296 28.7814 28.8081 29.1478 29.2454 29.3036 29.4915 29.5248 29.6190 29.8709 29.9407 30.0776 30.1213 30.2184 30.2462 30.4065 30.6427 30.7177 30.8630 31.1426 31.1675 31.3840 31.4193 31.6609 31.8254 31.9222 32.0567 32.2100 32.2608 32.3428 32.4496 32.5314 32.7011 32.8641 32.9286 33.0051 33.1389 33.2296 33.3578 33.4435 33.6294 33.7776 33.9445 34.0008 34.0697 34.2157 34.2403 34.3297 34.4956 34.6312 34.7251 34.9260 35.1295 35.3609 35.4669 35.6010 35.6801 35.7888 35.9251 35.9836 36.1488 36.2754 36.3832 36.6286 36.7318 36.8037 36.8692 37.1572 37.2820 37.3960 37.6323 37.7272 37.8635 37.9775 38.1018 38.2288 38.3060 38.5333 38.6337 38.7317 38.7852 38.8808 38.9581 39.2272 39.3244 39.3522 39.6139 39.6884 39.8474 39.8641 40.0382 40.1007 40.3093 40.3887 40.4555 40.6617 40.9029 40.9332 41.0253 41.1300 41.2318 41.4448 41.6328 41.7350 41.8589 41.9616 41.9866 42.2814 42.4825 42.5203 42.5820 42.8236 42.9597 43.0019 43.2355 43.2904 43.4009 43.6213 43.6680 43.7590 43.8126 44.0302 44.2073 44.3074 44.3698 44.4398 44.6369 44.6647 44.8453 44.9509 45.1310 45.2686 45.3704 45.4664 45.5095 45.6158 45.7720 45.8749 45.9649 46.0632 46.1382 46.3420 46.5211 46.6145 46.6599 46.7590 47.0817 47.1732 47.5353 47.5941 47.7095 47.9408 48.1525 48.1853 48.2959 48.3570 48.5070 48.6354 48.7453 48.8605 49.1603 49.5824 49.6562 49.8284 49.9219 50.0334 50.3024 50.3643 50.6198 50.6511 50.9104 51.1576 51.3488 51.5075 51.7417 51.9008 51.9646 52.2766 52.3549 52.4855 52.7023 52.8088 52.9771 53.0955 53.3854 53.5181 53.7415 54.0081 54.1124 54.3319 54.6895 54.9597 55.1538 55.2022 55.3120 55.6300 55.8421 55.9587 56.0260 56.1207 56.3389 56.7133 56.7901 56.9993 57.2101 57.5421 57.6306 57.9437 58.0897 58.2403 58.3320 58.5349 58.7401 58.8239 58.9745 59.1187 59.6842 59.7187 60.1943 60.2633 60.3628 60.6045 60.8768 60.9417 61.3538 61.5217 61.7723 61.8846 61.9804 62.1551 62.5502 62.6812 63.0157 63.2250 63.2588 63.4689 63.9658 64.1110 64.2969 64.3155 64.6388 64.7360 64.9237 65.2179 65.3102 65.6368 65.6900 66.1251 66.3896 66.5224 66.7984 66.9659 67.1133 67.4711 67.6063 67.7585 67.8803 68.2637 68.5203 68.7547 69.4854 69.6318 69.7923 70.0725 70.2057 70.4881 70.7637 71.0883 71.1759 71.2392 71.3822 71.6274 71.8122 72.1338 72.2571 72.3030 72.4477 72.6986 72.7697 73.0547 73.3707 73.5113 73.8255 74.3838 74.4301 74.6004 74.7509 74.7964 75.0378 75.2920 75.3432 75.4320 75.5160 75.7514 75.9436 76.2639 76.4264 76.5367 76.6451 76.8842 77.0215 77.2360 77.3213 77.5583 77.6342 77.8084 77.8590 77.9982 78.1706 78.4309 78.6622 78.8086 78.9539 78.9899 79.1869 79.2464 79.3489 79.5407 79.7315 79.7919 79.8835 79.9869 80.2188 80.2887 80.5434 80.6316 80.6935 80.8390 80.9005 81.1685 81.2414 81.3367 81.6968 81.8132 81.9555 82.2561 82.2933 82.3576 82.5402 82.6329 82.8592 83.1654 83.2022 83.2197 83.3292 83.5620 83.7451 83.8016 84.0611 84.2613 84.3494 84.5406 84.6162 84.6386 84.7988 84.9887 85.0556 85.1248 85.2595 85.4883 85.6729 85.7010 85.7606 85.8257 86.1094 86.2546 86.3408 86.4503 86.4816 86.5302 86.5696 86.7546 86.7912 86.9488 87.0285 87.0966 87.2601 87.3390 87.5680 87.6690 87.8143 87.9005 88.0787 88.1429 88.2479 88.5291 88.5488 88.6157 88.7549 88.9171 89.0497 89.2280 89.2884 89.3328 89.4787 89.5973 89.6566 89.7606 89.8235 89.9879 90.0288 90.2111 90.3963 90.5192 90.6757 90.9239 91.0097 91.0987 91.1711 91.3006 91.4299 91.5707 91.7090 91.7865 91.9175 92.1517 92.2451 92.2978 92.5050 92.6566 92.6920 92.9394 93.1086 93.1466 93.2427 93.2760 93.4493 93.5696 93.6014 93.7533 93.8274 93.9053 94.0635 94.1125 94.2754 94.3644 94.5109 94.6030 94.6934 94.7653 94.9975 95.2365 95.2819 95.3758 95.5450 95.6528 95.6660 95.7309 95.8917 96.0476 96.1112 96.2118 96.3373 96.4682 96.5912 96.7693 96.9711 97.1148 97.2427 97.2735 97.5192 97.6139 97.7154 97.8934 97.9601 98.0427 98.1991 98.4209 98.4439 98.5891 98.6641 98.7517 98.9126 99.2173 99.2721 99.2943 99.6180 99.7362 99.8332 99.8866 100.1500 100.2077 100.5228 100.6000 100.6529 100.8349 100.9780 101.1861 101.4500 101.6075 101.6608 101.8095 101.9653 102.1732 102.3664 102.4534 102.4900 102.6635 102.8025 102.9658 103.1143 103.3834 103.5220 103.6923 103.8067 103.9496 104.0236 104.2510 104.3399 104.3828 104.5299 104.6773 104.8485 104.9957 105.1312 105.4095 105.5066 105.7194 105.7868 105.9181 106.0382 106.2392 106.3755 106.5015 106.5433 106.6055 106.7736 106.8608 107.0842 107.2650 107.3452 107.4752 107.5432 107.6535 107.9468 107.9916 108.3037 108.4806 108.7378 108.8373 109.1655 109.3381 109.4625 109.6969 109.7292 109.9640 110.1848 110.2379 110.4219 110.5623 110.6391 110.7067 110.8548 111.1258 111.2698 111.3700 111.5970 111.6144 111.6742 111.7667 111.8672 112.2533 112.3376 112.5227 112.5963 112.7390 112.8880 113.1105 113.1436 113.3946 113.6359 113.7924 113.8209 113.9825 114.1502 114.2586 114.4018 114.5936 114.6731 114.7991 114.8224 115.0204 115.3855 115.6528 115.7163 115.8861 115.9445 116.1097 116.2809 116.4271 116.5240 116.6927 116.8525 116.9317 117.1479 117.2310 117.3256 117.5926 117.6875 117.8970 118.0423 118.1109 118.3154 118.4219 118.4728 118.6089 118.6939 118.7990 118.9426 119.0586 119.1282 119.1767 119.2700 119.5083 119.6347 119.6540 120.0053 120.1350 120.4066 120.6092 120.7078 120.9198 120.9370 121.1663 121.2437 121.3680 121.5707 121.7409 121.9258 122.1891 122.3291 122.7209 123.1380 123.2482 123.5107 123.6505 123.8906 124.0670 124.1676 124.5532 124.7810 124.9031 125.1136 125.2981 125.5205 125.7696 125.9582 126.2717 126.5598 126.7279 126.9156 127.1944 127.5578 127.7489 127.8823 128.2985 128.6266 128.8739 129.0127 129.2753 129.5029 129.5617 129.8401 129.8839 130.1102 130.1499 130.3423 130.6969 131.0727 131.2925 131.5045 131.5307 131.8754 132.0154 132.0780 132.3667 132.6450 132.7216 133.0302 133.1794 133.4780 133.5173 133.6155 133.6985 133.8234 134.3456 134.4365 134.6023 134.8701 134.9399 135.0880 135.3463 135.6707 135.8044 136.1391 136.2647 136.7419 136.8390 137.0883 137.3037 137.4578 137.9078 138.0272 138.3810 138.8006 138.9494 139.0587 139.3256 139.4988 139.8264 139.9727 140.3958 140.6929 141.0566 141.2769 141.4404 141.6072 141.8433 141.9302 142.1576 142.4297 142.6385 143.0892 143.3529 143.5240 143.6455 143.8710 144.1605 144.2586 144.5048 144.5228 144.6728 144.8768 145.3323 145.5372 145.5618 145.8208 146.0674 146.2372 146.8903 147.0643 147.2074 147.6688 147.9608 148.2494 148.4973 148.7953 148.9587 149.0560 149.1993 149.2645 149.7145 149.7603 150.0573 150.2930 150.4326 150.9109 151.0702 151.3051 151.3465 151.4453 152.0191 152.1416 152.1743 152.4075 152.7444 152.9033 153.0569 153.1327 153.4886 153.7940 153.9279 154.0074 154.2242 154.7116 154.7227 155.3852 155.6286 156.2277 156.3438 156.9010 157.0645 157.4911 157.8001 157.8508 158.1811 158.7194 159.0245 159.2544 159.4647 159.6495 159.7966 160.3862 160.5911 161.0422 161.2232 161.8568 162.0967 162.5660 162.7478 163.3150 164.0346 165.2005 165.4626 168.2175 168.6021 169.0785 169.8618 170.0895 171.8811 172.1090 173.5773 174.8193 176.4512 176.7363 177.9392 179.3754 179.5055 179.8203 180.8225 181.4926 184.8215 185.5241 186.1077 187.0392 188.4472 188.6627 188.9284 189.4264 189.5849 190.4269 190.8126 191.3512 191.6699 192.0028 194.0818 194.4854 195.4671 196.9071 198.3668 201.9803 202.5160 203.7804 204.9946 207.3115 249.4050 261.0358 262.5581 549.0023 621.7770 622.6821 625.1779 626.1702 632.7610 633.3567 634.0180 634.5389 635.1491 635.6298 637.1348 637.4518 638.3875 639.3670 640.1192 640.8583 641.7481 643.0647 645.2027 648.2776 651.1064 652.0376 659.3756 1200.8471 1201.2121 1207.8045 1210.6067 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 S O O O O C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H -0.067222 -0.271806 -0.467973 -0.476187 -0.286164 0.120632 -0.066359 -0.108161 -0.286973 -0.264541 -0.067798 0.404699 -0.132464 -0.159645 0.314655 -0.087451 0.075676 -0.004813 -0.360900 -0.063226 0.225769 -0.067247 0.102390 -0.221745 -0.239665 -0.136773 -0.158961 -0.178736 0.114405 0.112602 0.080243 0.103706 0.103678 0.089219 0.097102 0.095417 0.135489 0.113246 0.093417 0.129940 0.107917 0.129149 0.124714 0.161255 0.164411 0.117760 0.101374 0.139109 0.140373 0.158891 0.158651 0.158918 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 S O O O O C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 16.0672 8.2718 8.4680 8.4762 8.2862 5.8794 6.0664 6.1082 6.2870 6.2645 6.0678 5.5953 6.1325 6.1596 5.6853 6.0875 5.9243 6.0048 6.3609 6.0632 5.7742 6.0672 5.8976 6.2217 6.2397 6.1368 6.1590 6.1787 0.8856 0.8874 0.9198 0.8963 0.8963 0.9108 0.9029 0.9046 0.8645 0.8868 0.9066 0.8701 0.8921 0.8709 0.8753 0.8387 0.8356 0.8822 0.8986 0.8609 0.8596 0.8411 0.8413 0.8411 16.0000 8.0000 8.0000 8.0000 8.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0672 -0.2718 -0.4680 -0.4762 -0.2862 0.1206 -0.0664 -0.1082 -0.2870 -0.2645 -0.0678 0.4047 -0.1325 -0.1596 0.3147 -0.0875 0.0757 -0.0048 -0.3609 -0.0632 0.2258 -0.0672 0.1024 -0.2217 -0.2397 -0.1368 -0.1590 -0.1787 0.1144 0.1126 0.0802 0.1037 0.1037 0.0892 0.0971 0.0954 0.1355 0.1132 0.0934 0.1299 0.1079 0.1291 0.1247 0.1613 0.1644 0.1178 0.1014 0.1391 0.1404 0.1589 0.1587 0.1589 2.4616 2.1244 2.0179 2.0004 2.2588 3.8069 3.8464 3.8524 3.9163 3.8917 3.7645 4.1503 3.5846 4.0120 4.1315 3.9368 3.7825 3.5284 3.9699 3.9092 3.5784 3.8194 3.5163 3.9391 3.8969 3.8483 3.8616 3.8852 1.0038 1.0192 1.0043 1.0009 1.0025 1.0037 1.0022 1.0024 1.0204 1.0057 1.0158 1.0128 1.0100 1.0082 0.9997 1.0051 1.0061 1.0028 1.0127 1.0034 1.0183 0.9886 0.9912 0.9893 2.4616 2.1244 2.0179 2.0004 2.2588 3.8069 3.8464 3.8524 3.9163 3.8917 3.7645 4.1503 3.5846 4.0120 4.1315 3.9368 3.7825 3.5284 3.9699 3.9092 3.5784 3.8194 3.5163 3.9391 3.8969 3.8483 3.8616 3.8852 1.0038 1.0192 1.0043 1.0009 1.0025 1.0037 1.0022 1.0024 1.0204 1.0057 1.0158 1.0128 1.0100 1.0082 0.9997 1.0051 1.0061 1.0028 1.0127 1.0034 1.0183 0.9886 0.9912 0.9893 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 1.2745 0.9758 1.2055 0.8559 1.8811 1.8379 1.1128 1.0480 0.9270 0.9875 0.9280 0.9338 0.8864 0.9817 1.0048 0.9511 0.9908 0.9983 0.9916 0.9919 0.9817 0.9942 0.9944 1.6863 0.9929 0.9699 1.0259 0.9593 0.9842 1.0015 0.9926 0.9860 0.8763 1.0025 0.9919 1.1890 1.5954 1.6109 0.9935 0.9941 0.9296 0.8842 1.0029 1.0165 1.3433 1.3252 1.4272 0.9992 1.4181 1.0027 1.3978 0.9866 1.3919 0.9906 0.9868 0 14 0 15 1 11 1 16 2 11 3 14 4 19 4 20 5 6 5 7 5 8 5 9 6 7 6 10 6 28 7 11 7 29 8 30 8 31 8 32 9 33 9 34 9 35 10 12 10 36 12 13 12 14 13 15 13 37 13 38 15 39 15 40 16 17 16 41 16 42 17 18 17 19 18 20 18 43 19 44 20 21 21 22 21 45 21 46 22 23 22 24 23 25 23 47 24 26 24 48 25 27 25 49 26 27 26 50 27 51 -0.034569706 -1590.125030176584 14.85863 -13.75285 1.10578 -3.68681 4.05774 0.37092 -3.62351 0.39235 -3.23116 3.43522 8.73163