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:-1.3692,-2.2386,1.836;2.5078,1.2907,.4141;2.131,2.2705,-1.5564;.9716,-1.8791,2.9703;-1.6427,1.4121,1.6859;4.2075,-.7503,-1.1039;2.834,-1.2972,-.9302;3.0218,.0899,-1.5466;5.0472,-.3692,.0894;5.029,-1.317,-2.2383;2.2141,-1.4973,.3936;2.5209,1.3216,-.9085;.8992,-1.6442,.5728;-.1719,-1.5115,-.4602;.3607,-1.8976,1.9245;-1.392,-2.2955,.0172;1.8476,2.3501,1.1336;.3729,2.1561,1.1252;-.5844,2.6332,.1714;-.334,1.421,2.0164;-1.7897,2.1545,.5588;-3.1486,2.2489,-.0317;-3.5329,1.0026,-.7968;-2.8757,.6852,-1.9841;-4.5391,.1581,-.3418;-3.2239,-.4458,-2.7066;-4.8931,-.9759,-1.0651;-4.2384,-1.2796,-2.2499;2.5083,-2.0237,-1.6706;2.8748,.1257,-2.6194;4.4814,-.0102,.944;5.6208,-1.2371,.4194;5.7606,.4089,-.1862;5.7679,-.5929,-2.5852;5.565,-2.2088,-1.9088;4.4082,-1.597,-3.09;2.8677,-1.5708,1.2568;.1437,-1.8673,-1.4412;-.4326,-.4539,-.5715;-1.3474,-3.3371,-.2968;-2.3266,-1.8671,-.3359;2.2413,2.2743,2.145;2.1325,3.3225,.7326;-.3986,3.26,-.6859;-.0499,.8916,2.9126;-3.8869,2.4492,.748;-3.158,3.1082,-.7045;-2.0864,1.3329,-2.3485;-5.0579,.3916,.5804;-2.7059,-.6754,-3.6289;-5.681,-1.6217,-.6994;-4.5136,-2.1614,-2.8139; 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 2902.9083076956 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 7.008e-06 Time for diagonalization 0.812 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.742 sec Total time needed 1.561 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:-1.3692,-2.2386,1.836;2.5078,1.2907,.4141;2.131,2.2705,-1.5564;.9716,-1.8791,2.9703;-1.6427,1.4121,1.6859;4.2075,-.7503,-1.1039;2.834,-1.2972,-.9302;3.0218,.0899,-1.5466;5.0472,-.3692,.0894;5.029,-1.317,-2.2383;2.2141,-1.4973,.3936;2.5209,1.3216,-.9085;.8992,-1.6442,.5728;-.1719,-1.5115,-.4602;.3607,-1.8976,1.9245;-1.392,-2.2955,.0172;1.8476,2.3501,1.1336;.3729,2.1561,1.1252;-.5844,2.6332,.1714;-.334,1.421,2.0164;-1.7897,2.1545,.5588;-3.1486,2.2489,-.0317;-3.5329,1.0026,-.7968;-2.8757,.6852,-1.9841;-4.5391,.1581,-.3418;-3.2239,-.4458,-2.7066;-4.8931,-.9759,-1.0651;-4.2384,-1.2796,-2.2499;2.5083,-2.0237,-1.6706;2.8748,.1257,-2.6194;4.4814,-.0102,.944;5.6208,-1.2371,.4194;5.7606,.4089,-.1862;5.7679,-.5929,-2.5852;5.565,-2.2088,-1.9088;4.4082,-1.597,-3.09;2.8677,-1.5708,1.2568;.1437,-1.8673,-1.4412;-.4326,-.4539,-.5715;-1.3474,-3.3371,-.2968;-2.3266,-1.8671,-.3359;2.2413,2.2743,2.145;2.1325,3.3225,.7326;-.3986,3.26,-.6859;-.0499,.8916,2.9126;-3.8869,2.4492,.748;-3.158,3.1082,-.7045;-2.0864,1.3329,-2.3485;-5.0579,.3916,.5804;-2.7059,-.6754,-3.6289;-5.681,-1.6217,-.6994;-4.5136,-2.1614,-2.8139; 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:-1.3692,-2.2386,1.836;2.5078,1.2907,.4141;2.131,2.2705,-1.5564;.9716,-1.8791,2.9703;-1.6427,1.4121,1.6859;4.2075,-.7503,-1.1039;2.834,-1.2972,-.9302;3.0218,.0899,-1.5466;5.0472,-.3692,.0894;5.029,-1.317,-2.2383;2.2141,-1.4973,.3936;2.5209,1.3216,-.9085;.8992,-1.6442,.5728;-.1719,-1.5115,-.4602;.3607,-1.8976,1.9245;-1.392,-2.2955,.0172;1.8476,2.3501,1.1336;.3729,2.1561,1.1252;-.5844,2.6332,.1714;-.334,1.421,2.0164;-1.7897,2.1545,.5588;-3.1486,2.2489,-.0317;-3.5329,1.0026,-.7968;-2.8757,.6852,-1.9841;-4.5391,.1581,-.3418;-3.2239,-.4458,-2.7066;-4.8931,-.9759,-1.0651;-4.2384,-1.2796,-2.2499;2.5083,-2.0237,-1.6706;2.8748,.1257,-2.6194;4.4814,-.0102,.944;5.6208,-1.2371,.4194;5.7606,.4089,-.1862;5.7679,-.5929,-2.5852;5.565,-2.2088,-1.9088;4.4082,-1.597,-3.09;2.8677,-1.5708,1.2568;.1437,-1.8673,-1.4412;-.4326,-.4539,-.5715;-1.3474,-3.3371,-.2968;-2.3266,-1.8671,-.3359;2.2413,2.2743,2.145;2.1325,3.3225,.7326;-.3986,3.26,-.6859;-.0499,.8916,2.9126;-3.8869,2.4492,.748;-3.158,3.1082,-.7045;-2.0864,1.3329,-2.3485;-5.0579,.3916,.5804;-2.7059,-.6754,-3.6289;-5.681,-1.6217,-.6994;-4.5136,-2.1614,-2.8139; 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 3080 GEPOL Volume 2763.4922 GEPOL Surface-area 1526.4568 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.0s) Overall time for CPCM initialization 1.1s -1590.09432554 2902.90830770 -4493.00263324 -7946.18425302 3453.18161978 -0.04114608 -3174.31579154 1584.22146600 2.00370710 105.000049242556 105.000049242556 210.000098485111 -135.013667759556 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 -2420.7408 -525.2547 -524.7158 -523.3227 -523.0739 -283.4479 -282.8939 -281.3083 -281.1487 -280.9256 -280.4647 -280.4005 -280.2367 -280.1768 -280.1523 -280.0624 -280.0258 -279.8724 -279.8624 -279.7829 -279.6835 -279.6792 -279.6453 -279.6301 -279.6271 -279.4513 -279.1943 -279.1896 -219.2866 -163.5917 -163.4890 -163.3988 -33.7047 -33.6499 -32.0424 -31.0796 -27.5605 -26.7557 -26.5395 -25.4900 -25.0179 -24.5442 -23.6887 -23.4685 -23.3163 -22.8230 -22.6592 -21.8925 -21.6720 -21.3969 -20.3641 -19.5089 -19.3700 -19.0516 -19.0262 -18.6479 -17.5998 -17.5569 -17.1540 -17.1339 -16.7259 -16.4522 -16.2654 -16.1181 -15.8590 -15.6552 -15.5602 -15.3555 -15.1913 -15.0865 -14.9464 -14.5880 -14.4610 -14.3613 -14.1658 -14.0519 -14.0410 -13.9139 -13.7637 -13.6456 -13.4348 -13.2995 -13.1325 -13.0631 -12.9098 -12.8482 -12.7432 -12.4997 -12.3533 -12.1117 -11.7995 -11.7505 -11.6282 -11.5879 -11.3265 -11.0574 -10.7358 -10.2162 -10.0712 -9.7368 -9.6021 -9.3445 -9.2268 -8.9719 -8.4508 0.2001 1.6013 1.6388 2.1579 2.3104 2.5835 3.1461 3.3762 3.5743 3.6549 3.7531 3.9589 4.0975 4.1078 4.3743 4.5720 4.5944 4.6988 4.8916 4.9988 5.0568 5.1907 5.2780 5.3192 5.3290 5.4566 5.5274 5.6339 5.6828 5.8738 6.0459 6.1683 6.2156 6.3811 6.4631 6.4860 6.6191 6.6833 6.7258 6.8291 7.0032 7.0394 7.1173 7.2064 7.3160 7.3290 7.5248 7.6075 7.7117 7.9668 8.1691 8.2182 8.3446 8.3527 8.4945 8.5273 8.5880 8.6899 8.9376 9.0181 9.1477 9.2117 9.3246 9.3812 9.4837 9.5727 9.8447 9.8731 9.9490 10.1188 10.1557 10.2324 10.3633 10.5453 10.6165 10.6604 10.8147 10.8834 10.9766 11.1002 11.1756 11.2542 11.4292 11.4918 11.5982 11.7313 11.8433 11.8884 11.9729 12.0713 12.1972 12.2889 12.3847 12.5483 12.5842 12.6552 12.7795 12.8593 12.9463 12.9762 13.0487 13.1228 13.3004 13.4718 13.5080 13.5907 13.6754 13.7543 13.8223 13.8759 13.9481 14.1194 14.1457 14.2611 14.3384 14.3574 14.4117 14.5063 14.5306 14.6160 14.7022 14.7225 14.7904 14.9456 15.1116 15.2503 15.2893 15.3626 15.4280 15.6205 15.6740 15.8267 15.9390 15.9631 16.0705 16.1170 16.1474 16.2792 16.3567 16.4536 16.6304 16.7165 16.8186 16.8555 17.0780 17.0949 17.2318 17.3657 17.5705 17.6931 17.7518 17.8231 17.9252 18.0326 18.1679 18.3397 18.4086 18.6376 18.7157 18.8039 18.8397 19.0799 19.1185 19.2614 19.4287 19.5019 19.6085 19.7582 19.8730 19.9802 20.0511 20.2130 20.4427 20.5974 20.7397 20.8510 20.9377 21.1323 21.1729 21.2838 21.3394 21.5879 21.7778 21.8969 21.9376 22.0821 22.2241 22.5303 22.6298 22.7957 22.8916 23.0167 23.1170 23.3480 23.4366 23.4750 23.6346 23.7957 24.0034 24.0970 24.1244 24.2420 24.3424 24.4955 24.5723 24.7379 24.8067 25.0757 25.1441 25.3192 25.5096 25.6201 25.7446 25.8199 26.0664 26.4430 26.5262 26.6080 26.7178 26.7974 26.9145 27.1444 27.2519 27.3151 27.5318 27.7346 27.8213 27.9337 27.9647 28.0718 28.1485 28.2953 28.5100 28.5534 28.6946 28.8194 29.0473 29.0802 29.2252 29.4380 29.4997 29.6423 29.6758 29.7802 29.8606 30.1015 30.1414 30.2655 30.3537 30.4272 30.6270 30.8368 30.9830 31.1295 31.2001 31.3701 31.4365 31.5413 31.6424 31.7229 31.9086 31.9634 32.0547 32.2689 32.4296 32.5163 32.6355 32.7883 32.9302 32.9773 33.1889 33.3019 33.4158 33.4873 33.6723 33.7866 34.0111 34.1370 34.3386 34.3971 34.5778 34.7585 34.7674 34.9803 35.1021 35.1680 35.2708 35.4979 35.5364 35.7072 35.7939 35.8373 35.9402 36.0930 36.3224 36.4957 36.5696 36.6685 36.7101 36.9109 37.2000 37.2963 37.4129 37.7122 37.7850 37.8871 37.9934 38.0857 38.2276 38.3738 38.4318 38.5460 38.7214 39.0412 39.1139 39.1773 39.2649 39.3551 39.5418 39.6175 39.6542 39.8156 39.9201 40.0224 40.0595 40.3410 40.5333 40.6144 40.6927 40.8754 40.9431 41.0773 41.1907 41.3850 41.5169 41.5375 41.6905 41.7503 41.8305 41.9311 42.0908 42.2358 42.4315 42.6721 42.8575 42.8831 43.0618 43.1683 43.1929 43.3053 43.4196 43.5710 43.6239 43.7900 43.9007 43.9854 44.1084 44.3272 44.4762 44.6053 44.7260 44.7932 44.8704 45.1102 45.2723 45.2947 45.3582 45.5243 45.6343 45.7944 45.8994 46.0049 46.1840 46.3321 46.4431 46.5127 46.6989 46.8103 46.9495 47.0129 47.0384 47.2739 47.4438 47.5717 47.6175 47.7507 47.8581 48.1228 48.2231 48.3182 48.4255 48.7375 48.8410 48.9245 49.1488 49.3674 49.5488 49.5962 49.7357 49.8987 50.1645 50.4078 50.5807 50.6967 51.0670 51.0811 51.2619 51.2976 51.3168 51.6277 51.8083 51.9233 52.1282 52.5837 52.7077 52.9352 53.1305 53.2136 53.2737 53.5752 53.5961 53.8028 53.9008 54.2023 54.2596 54.6168 54.8595 54.9497 55.1875 55.5016 55.6932 55.8382 56.0031 56.2445 56.4070 56.6117 56.7532 57.0585 57.1368 57.3665 57.5334 57.6908 57.8035 58.0634 58.1335 58.4196 58.7468 58.7965 58.9416 59.4392 59.4488 59.6685 59.7539 59.8628 60.2048 60.2670 60.6352 60.9944 61.1675 61.2328 61.6646 61.8406 62.0180 62.0944 62.2474 62.5981 62.7733 63.1132 63.4003 63.5081 63.7187 63.8437 64.2234 64.5478 64.6355 64.8360 64.9659 65.0489 65.1824 65.3805 65.6813 65.8281 66.1237 66.4505 66.6349 66.8680 67.0132 67.2289 67.3643 67.7453 67.8863 68.0799 68.3941 68.9097 69.1075 69.3693 69.5749 69.9128 70.1901 70.6051 70.7954 70.9785 71.0899 71.2969 71.3872 71.7403 71.9253 72.0003 72.4110 72.5491 72.7657 72.8572 72.9533 73.1224 73.3745 73.4645 73.9220 74.0440 74.4983 74.5923 74.6766 74.9000 75.1488 75.4023 75.4874 75.6463 75.8357 76.1660 76.2236 76.4204 76.5491 76.6855 76.8163 76.8776 77.1772 77.2740 77.4840 77.5934 77.7730 77.8668 77.9421 78.0873 78.2191 78.3750 78.5945 78.7287 78.8034 79.0382 79.2022 79.2572 79.3672 79.4850 79.6793 79.8135 79.9460 79.9840 80.1137 80.2740 80.4522 80.4998 80.9684 81.0433 81.1777 81.3325 81.4485 81.5658 81.9616 81.9995 82.1275 82.1823 82.2441 82.4671 82.6188 82.7256 82.8203 83.1477 83.2012 83.4125 83.6214 83.6788 83.8283 83.9448 84.1060 84.2027 84.4206 84.5111 84.6125 84.6631 84.9111 84.9830 85.0250 85.1048 85.2818 85.4521 85.4797 85.6752 85.8034 85.8282 85.9570 86.1805 86.2213 86.2996 86.5930 86.7379 86.8461 86.9140 86.9477 87.0319 87.2005 87.2744 87.4372 87.4728 87.5750 87.6587 87.8008 87.8918 87.9785 88.1166 88.3188 88.4779 88.5285 88.5983 88.8368 88.8862 89.0448 89.1490 89.2753 89.3689 89.5033 89.6172 89.7108 89.8639 89.9795 90.0482 90.0945 90.1628 90.3875 90.5342 90.7177 90.8292 90.9220 90.9853 91.1734 91.2811 91.3692 91.4814 91.6461 91.6947 91.9004 91.9932 92.2296 92.5502 92.6605 92.7152 92.8360 92.8888 93.0829 93.1381 93.1520 93.2744 93.3887 93.4856 93.5602 93.6296 93.7386 93.9615 94.1047 94.1518 94.2994 94.4079 94.4751 94.5874 94.7613 94.8416 94.8739 95.1425 95.2340 95.3025 95.3754 95.4578 95.5349 95.6485 95.7601 96.0103 96.1129 96.3156 96.4185 96.5661 96.6253 96.7721 96.9565 97.0378 97.0698 97.2783 97.4728 97.6145 97.7792 98.0486 98.0652 98.2137 98.2958 98.4339 98.6216 98.7006 98.8690 98.9254 98.9729 99.2342 99.2591 99.3566 99.4545 99.6723 99.7491 99.9836 100.0369 100.1713 100.3384 100.5735 100.6734 100.8230 100.9792 101.1165 101.3124 101.4005 101.6072 101.8961 102.0553 102.2782 102.4082 102.4620 102.6762 102.7856 103.0823 103.1243 103.2659 103.4171 103.4506 103.5255 103.6979 103.8045 104.0151 104.1088 104.2431 104.5020 104.6988 104.7639 104.9870 105.0035 105.2430 105.4224 105.5976 105.7220 105.7543 105.8664 106.0287 106.1345 106.2885 106.4277 106.5357 106.7002 106.8968 106.9356 107.2499 107.3500 107.4744 107.6988 108.0602 108.0940 108.1827 108.6026 108.6715 108.7004 108.9277 109.0205 109.0954 109.2881 109.4576 109.6149 109.8792 109.9570 110.1428 110.2309 110.2772 110.4833 110.6421 110.8063 110.8507 111.0489 111.1762 111.4871 111.5258 111.6103 111.7038 111.9622 112.0911 112.2018 112.4800 112.5410 112.6856 112.7229 112.8210 113.1213 113.4311 113.4670 113.6422 113.7968 113.9366 114.0567 114.0879 114.3588 114.7246 114.9364 114.9876 115.0772 115.2571 115.3530 115.6181 115.6320 115.8172 116.1382 116.2104 116.2254 116.4555 116.5443 116.7132 116.7799 116.9482 117.1267 117.2893 117.3741 117.5326 117.7691 117.8527 118.0061 118.1499 118.2491 118.4255 118.5209 118.5371 118.7166 118.7446 118.8654 119.0272 119.0660 119.1447 119.3619 119.4774 119.8167 119.8866 119.9881 120.1919 120.3722 120.5551 120.7994 120.8284 120.9800 121.0305 121.1859 121.2881 121.5482 121.6820 121.9515 122.0299 122.3326 122.4798 122.6387 123.0952 123.3090 123.5322 123.6169 123.8659 124.0930 124.2555 124.4394 124.6629 124.9089 125.2846 125.5557 125.6243 125.9814 126.1461 126.2933 126.5232 126.6034 126.7376 127.2577 127.3625 127.5687 127.7244 128.1589 128.1727 128.4349 128.6370 128.9860 129.2584 129.4387 129.6763 129.8625 130.0975 130.2819 130.5803 130.7386 131.2042 131.3599 131.4250 131.5852 131.7847 132.0556 132.2497 132.3296 132.5557 132.8285 132.9171 133.2147 133.3609 133.4675 133.4926 133.8330 134.0380 134.4184 134.5756 134.6919 134.8857 135.0664 135.1249 135.3280 135.7301 135.8328 136.0262 136.4434 136.6428 136.8384 137.0850 137.5587 137.9415 138.2561 138.4836 138.6981 138.9314 139.0256 139.2362 139.3538 139.8892 140.1624 140.5470 140.5917 140.8374 141.2057 141.4514 141.5655 141.9173 142.1618 142.3970 142.6811 142.8407 143.1216 143.2215 143.3751 143.5578 143.6882 143.8732 144.0671 144.4192 144.5858 144.7153 144.9361 145.0457 145.1973 145.5982 145.6607 145.9855 146.1476 146.2045 146.8530 147.1914 147.3825 147.6968 147.7597 148.0507 148.8510 148.9290 149.1839 149.1971 149.3769 149.3966 149.5682 149.7292 150.2407 150.4457 150.6419 150.9034 151.0298 151.4073 151.5631 151.6272 152.0838 152.1821 152.2977 152.6337 152.7629 152.7840 152.9913 153.3244 153.4765 153.8644 154.0908 154.4310 154.6423 155.0961 155.2329 155.3971 155.5863 155.9981 156.2008 156.7915 157.4378 157.6108 157.9471 158.2690 158.6749 159.0940 159.1557 159.5919 159.6253 159.7937 160.3233 160.5021 160.7858 161.0993 161.2885 161.5967 162.1721 162.5230 162.8177 163.3957 164.7305 164.8442 165.8105 168.0511 168.6035 169.2677 169.9396 169.9486 172.0532 172.7063 172.9357 175.7263 175.9353 176.6662 177.2638 179.0366 179.6428 179.8070 180.5914 181.3075 184.8104 185.6357 187.4834 187.5262 187.7815 188.5417 188.5894 188.9313 189.0470 189.3874 189.5962 190.1650 190.5840 193.6951 193.9791 194.4797 195.8756 196.0517 199.1329 201.4795 202.0431 204.6330 205.5391 207.5359 247.5134 260.7790 261.1771 544.5715 622.1614 623.0389 624.5077 626.0129 632.8666 633.1863 633.7150 634.5386 634.9980 635.5649 636.6644 637.2937 637.9726 639.5077 640.3490 641.6278 642.9109 644.1962 645.9173 648.0244 651.2889 652.2399 659.3769 1199.4688 1199.6112 1208.0340 1211.2551 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 -0.062731 -0.265312 -0.503243 -0.462896 -0.273440 0.118469 -0.050880 -0.117073 -0.289151 -0.265094 -0.043903 0.435952 -0.158076 -0.099401 0.284388 -0.063058 0.048588 -0.069954 -0.284794 -0.054268 0.187918 -0.057977 0.055688 -0.225492 -0.204649 -0.150447 -0.126005 -0.176937 0.120070 0.095532 0.094311 0.101705 0.103790 0.097907 0.096090 0.089866 0.129522 0.109020 0.079676 0.130666 0.055258 0.117893 0.126639 0.159214 0.179116 0.107419 0.119170 0.146437 0.141691 0.158874 0.157104 0.156810 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 16.0627 8.2653 8.5032 8.4629 8.2734 5.8815 6.0509 6.1171 6.2892 6.2651 6.0439 5.5640 6.1581 6.0994 5.7156 6.0631 5.9514 6.0700 6.2848 6.0543 5.8121 6.0580 5.9443 6.2255 6.2046 6.1504 6.1260 6.1769 0.8799 0.9045 0.9057 0.8983 0.8962 0.9021 0.9039 0.9101 0.8705 0.8910 0.9203 0.8693 0.9447 0.8821 0.8734 0.8408 0.8209 0.8926 0.8808 0.8536 0.8583 0.8411 0.8429 0.8432 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 -0.0627 -0.2653 -0.5032 -0.4629 -0.2734 0.1185 -0.0509 -0.1171 -0.2892 -0.2651 -0.0439 0.4360 -0.1581 -0.0994 0.2844 -0.0631 0.0486 -0.0700 -0.2848 -0.0543 0.1879 -0.0580 0.0557 -0.2255 -0.2046 -0.1504 -0.1260 -0.1769 0.1201 0.0955 0.0943 0.1017 0.1038 0.0979 0.0961 0.0899 0.1295 0.1090 0.0797 0.1307 0.0553 0.1179 0.1266 0.1592 0.1791 0.1074 0.1192 0.1464 0.1417 0.1589 0.1571 0.1568 2.4487 2.1189 1.9943 2.0177 2.2594 3.7783 3.8328 3.8896 3.8984 3.9019 3.7643 4.0904 3.5836 3.9772 4.1634 3.9610 3.8453 3.6354 3.9817 3.9388 3.6502 3.8091 3.5580 3.8731 3.9226 3.8511 3.8339 3.8611 1.0052 1.0286 1.0118 0.9987 1.0002 1.0018 1.0018 1.0053 1.0177 1.0101 1.0194 1.0089 1.0333 1.0008 1.0040 1.0175 1.0017 1.0129 1.0055 1.0057 1.0039 0.9917 0.9906 0.9917 2.4487 2.1189 1.9943 2.0177 2.2594 3.7783 3.8328 3.8896 3.8984 3.9019 3.7643 4.0904 3.5836 3.9772 4.1634 3.9610 3.8453 3.6354 3.9817 3.9388 3.6502 3.8091 3.5580 3.8731 3.9226 3.8511 3.8339 3.8611 1.0052 1.0286 1.0118 0.9987 1.0002 1.0018 1.0018 1.0053 1.0177 1.0101 1.0194 1.0089 1.0333 1.0008 1.0040 1.0175 1.0017 1.0129 1.0055 1.0057 1.0039 0.9917 0.9906 0.9917 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 1.2860 1.0057 1.1870 0.8596 1.8360 1.8714 1.1190 1.0637 0.9489 0.9189 0.9248 0.9348 0.8759 0.9624 1.0039 1.0277 1.0100 0.9956 0.9898 0.9899 0.9941 0.9931 0.9832 1.7060 0.9859 0.9585 1.0022 0.9563 0.9784 0.9876 0.9866 0.9874 0.8969 0.9877 1.0228 1.1985 1.6525 1.6607 0.9602 0.9638 0.9058 0.8898 1.0095 1.0145 1.3145 1.3637 1.4181 1.0043 1.4097 0.9978 1.3806 0.9926 1.3945 0.9907 0.9920 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 -0.034093057 -1590.128418600278 11.81362 -11.68644 0.12718 -2.48891 2.03504 -0.45387 -14.79440 12.79559 -1.99881 2.05364 5.21993