Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 Si F 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 C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 1 2 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-2.966,1.2315,.7828;1.0457,-3.3584,-3.53;2.1959,4.3917,.834;1.8047,-2.9645,-1.0105;-2.3764,-.5593,.7211;-3.4506,-1.6149,.4796;-1.4066,2.2877,.7726;-3.9703,1.5666,2.3345;-3.9915,1.6047,-.7501;-2.9044,-3.0506,.4483;-.9749,3.0209,1.8826;-.5797,2.3065,-.3514;-1.852,-3.2242,-.6084;.2205,3.7193,1.8785;.6237,3.0011,-.3826;1.0356,3.7071,.746;-.5067,-3.078,-.2846;-2.1995,-3.4423,-1.9396;.471,-3.1003,-1.2679;-1.2277,-3.5031,-2.9278;.0951,-3.3191,-2.5845;3.1453,4.2771,-.2213;4.3972,5.0066,.1964;2.2401,-2.0548,-.0774;3.4028,-2.3844,.6054;1.6008,-.8429,.1541;3.9269,-1.4943,1.5315;2.1257,.0267,1.1006;3.2873,-.2899,1.7913;-1.6246,-.6067,-.0746;-1.8329,-.7777,1.6484;-3.9639,-1.4133,-.4658;-4.2171,-1.561,1.2583;-4.3055,2.604,2.3897;-4.8638,.9381,2.3549;-3.4058,1.352,3.2443;-3.4393,1.3841,-1.6664;-4.9057,1.0074,-.7716;-4.2878,2.6548,-.7905;-2.4866,-3.2959,1.428;-3.7308,-3.7432,.2719;-1.5762,3.0477,2.7843;-.8635,1.7576,-1.2436;.5362,4.2714,2.7556;1.2245,2.9702,-1.2815;-.2223,-2.9223,.7493;-3.2403,-3.5647,-2.2127;-1.4943,-3.6775,-3.9623;2.741,4.7056,-1.1437;3.3667,3.2222,-.4152;4.8298,4.5757,1.0998;5.1403,4.9286,-.5973;4.2085,6.0661,.3721;3.8952,-3.3285,.41;.7028,-.5673,-.3841;4.8358,-1.7529,2.0586;1.6198,.9647,1.2901;3.691,.3968,2.5231; 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 1742 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 218 Dim 1316 ENuc 2899.9128280865 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 6.470e-06 Time for diagonalization 0.389 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.426 sec Total time needed 0.823 sec 14 9 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-2.966,1.2315,.7828;1.0457,-3.3584,-3.53;2.1959,4.3917,.834;1.8047,-2.9645,-1.0105;-2.3764,-.5593,.7211;-3.4506,-1.6149,.4796;-1.4066,2.2877,.7726;-3.9703,1.5666,2.3345;-3.9915,1.6047,-.7501;-2.9044,-3.0506,.4483;-.9749,3.0209,1.8826;-.5797,2.3065,-.3514;-1.852,-3.2242,-.6084;.2205,3.7193,1.8785;.6237,3.0011,-.3826;1.0356,3.7071,.746;-.5067,-3.078,-.2846;-2.1995,-3.4423,-1.9396;.471,-3.1003,-1.2679;-1.2277,-3.5031,-2.9278;.0951,-3.3191,-2.5845;3.1453,4.2771,-.2213;4.3972,5.0066,.1964;2.2401,-2.0548,-.0774;3.4028,-2.3844,.6054;1.6008,-.8429,.1541;3.9269,-1.4943,1.5315;2.1257,.0267,1.1006;3.2873,-.2899,1.7913;-1.6246,-.6067,-.0746;-1.8329,-.7777,1.6484;-3.9639,-1.4133,-.4658;-4.2171,-1.561,1.2583;-4.3055,2.604,2.3897;-4.8638,.9381,2.3549;-3.4058,1.352,3.2443;-3.4393,1.3841,-1.6664;-4.9057,1.0074,-.7716;-4.2878,2.6548,-.7905;-2.4866,-3.2959,1.428;-3.7307,-3.7432,.2719;-1.5762,3.0477,2.7843;-.8635,1.7576,-1.2436;.5362,4.2714,2.7556;1.2245,2.9702,-1.2815;-.2223,-2.9223,.7493;-3.2403,-3.5647,-2.2127;-1.4943,-3.6775,-3.9623;2.741,4.7056,-1.1437;3.3667,3.2222,-.4152;4.8298,4.5757,1.0998;5.1403,4.9286,-.5973;4.2085,6.0661,.3721;3.8952,-3.3285,.41;.7028,-.5673,-.3841;4.8358,-1.7529,2.0586;1.6198,.9647,1.2901;3.691,.3968,2.5231; 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" 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-2.966,1.2315,.7828;1.0457,-3.3584,-3.53;2.1959,4.3917,.834;1.8047,-2.9645,-1.0105;-2.3764,-.5593,.7211;-3.4506,-1.6149,.4796;-1.4066,2.2877,.7726;-3.9703,1.5666,2.3345;-3.9915,1.6047,-.7501;-2.9044,-3.0506,.4483;-.9749,3.0209,1.8826;-.5797,2.3065,-.3514;-1.852,-3.2242,-.6084;.2205,3.7193,1.8785;.6237,3.0011,-.3826;1.0356,3.7071,.746;-.5067,-3.078,-.2846;-2.1995,-3.4423,-1.9396;.471,-3.1003,-1.2679;-1.2277,-3.5031,-2.9278;.0951,-3.3191,-2.5845;3.1453,4.2771,-.2213;4.3972,5.0066,.1964;2.2401,-2.0548,-.0774;3.4028,-2.3844,.6054;1.6008,-.8429,.1541;3.9269,-1.4943,1.5315;2.1257,.0267,1.1006;3.2873,-.2899,1.7913;-1.6246,-.6067,-.0746;-1.8329,-.7777,1.6484;-3.9639,-1.4133,-.4658;-4.2171,-1.561,1.2583;-4.3055,2.604,2.3897;-4.8638,.9381,2.3549;-3.4058,1.352,3.2443;-3.4393,1.3841,-1.6664;-4.9057,1.0074,-.7716;-4.2878,2.6548,-.7905;-2.4866,-3.2959,1.428;-3.7308,-3.7432,.2719;-1.5762,3.0477,2.7843;-.8635,1.7576,-1.2436;.5362,4.2714,2.7556;1.2245,2.9702,-1.2815;-.2223,-2.9223,.7493;-3.2403,-3.5647,-2.2127;-1.4943,-3.6775,-3.9623;2.741,4.7056,-1.1437;3.3667,3.2222,-.4152;4.8298,4.5757,1.0998;5.1403,4.9286,-.5973;4.2085,6.0661,.3721;3.8952,-3.3285,.41;.7028,-.5673,-.3841;4.8358,-1.7529,2.0586;1.6198,.9647,1.2901;3.691,.3968,2.5231; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Si F O C H 2.4700 1.7300 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 3396 GEPOL Volume 2907.7048 GEPOL Surface-area 1639.6525 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.05372115 2899.91282809 -4409.96654924 -7829.74090277 3419.77435353 -0.02644229 -3013.96456347 1503.91084232 2.00408460 108.999937572489 108.999937572489 217.999875144978 -135.232272867443 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -1800.5562 -674.9043 -524.7480 -524.1819 -281.9801 -281.6261 -281.5937 -281.3930 -280.8949 -279.9498 -279.8897 -279.8030 -279.7957 -279.7751 -279.7552 -279.7212 -279.7184 -279.7088 -279.7008 -279.6075 -279.5549 -279.5143 -279.3753 -279.3501 -279.1770 -279.1344 -278.7304 -278.6770 -278.6533 -145.6215 -100.6887 -100.6727 -100.6669 -36.7844 -33.0111 -32.3399 -27.0521 -26.6185 -26.4321 -24.9428 -24.2636 -24.1622 -23.6647 -23.5039 -23.4755 -23.0691 -22.8000 -22.0245 -21.3757 -21.3323 -20.6643 -20.4152 -19.9294 -19.5839 -19.3519 -19.2630 -18.7047 -18.3644 -17.9652 -17.5237 -17.4498 -16.8578 -16.3441 -16.1039 -16.0559 -15.9527 -15.6401 -15.6158 -15.4318 -14.8419 -14.8124 -14.6978 -14.6660 -14.5356 -14.3185 -14.2034 -14.0702 -13.9984 -13.7538 -13.6889 -13.6283 -13.4391 -13.3662 -13.2976 -13.2122 -12.9752 -12.9344 -12.8552 -12.6140 -12.5167 -12.4406 -12.3554 -12.1841 -12.1621 -12.0161 -11.6593 -11.5023 -11.3472 -11.2663 -11.1600 -10.4480 -10.3340 -9.9476 -9.5905 -9.4516 -9.2931 -8.9434 -8.3977 -8.3026 1.3235 1.5451 1.6694 1.8664 1.9586 2.1708 3.0317 3.3226 3.5872 3.7473 3.7919 4.0214 4.0862 4.2461 4.4570 4.5296 4.5621 4.6082 4.7849 4.9534 5.0469 5.0726 5.1119 5.1538 5.2920 5.3704 5.5618 5.5819 5.6207 5.6750 5.8461 5.9535 6.0084 6.0852 6.2139 6.2313 6.2962 6.3577 6.4651 6.5100 6.6897 6.7719 6.8507 6.8981 6.9805 7.0841 7.1150 7.1890 7.3544 7.4149 7.5479 7.6415 7.7689 7.9116 7.9340 8.0736 8.1807 8.2791 8.3227 8.4696 8.5401 8.6286 8.6307 8.6741 8.8167 8.9913 9.0574 9.0726 9.2159 9.3528 9.4482 9.5173 9.5602 9.7412 9.8318 9.8948 9.9641 10.1069 10.2344 10.3293 10.3503 10.5797 10.6230 10.6727 10.8049 10.8762 11.0697 11.1166 11.1492 11.2650 11.3867 11.4176 11.4763 11.5366 11.7370 11.8467 11.9115 12.0510 12.1592 12.2353 12.3358 12.4229 12.5352 12.6318 12.6664 12.7885 12.8891 12.9089 13.0300 13.0607 13.1509 13.2709 13.3683 13.4137 13.4595 13.5267 13.6953 13.7335 13.7800 13.8371 13.8679 13.9594 14.0226 14.0687 14.2186 14.2463 14.3609 14.4416 14.5285 14.6111 14.6459 14.7178 14.8378 14.8812 14.9601 15.0475 15.2066 15.2993 15.4084 15.4279 15.4741 15.5823 15.6443 15.7502 15.8014 15.8736 15.9305 15.9942 16.0426 16.1586 16.2017 16.2594 16.4419 16.4712 16.5445 16.5651 16.6459 16.8505 16.9094 17.0097 17.3237 17.3454 17.4186 17.5660 17.6628 17.8009 17.9052 17.9204 18.0729 18.3110 18.3312 18.5037 18.6586 18.6784 18.8827 19.0725 19.1352 19.2489 19.4746 19.5263 19.5889 19.7030 19.8084 19.9359 20.0648 20.1939 20.3478 20.3643 20.4427 20.5936 20.6484 20.8457 20.9156 21.0006 21.1350 21.1822 21.2207 21.4137 21.5541 21.6705 21.7629 21.8938 22.0358 22.1398 22.3099 22.3933 22.4415 22.5341 22.6297 22.8815 22.9771 22.9881 23.0990 23.1642 23.2769 23.3615 23.4250 23.7144 23.7444 23.8759 23.9618 23.9806 24.2785 24.3732 24.5252 24.6560 24.8183 24.9333 24.9698 25.0178 25.3121 25.3861 25.4545 25.4897 25.5383 25.7280 25.7901 25.9019 26.0638 26.1660 26.3593 26.4873 26.6318 26.7125 26.7602 26.9184 26.9910 27.2093 27.2844 27.3322 27.4660 27.5188 27.6519 27.8442 27.8738 28.0538 28.2263 28.3691 28.4626 28.6117 28.7520 28.8321 29.0482 29.1411 29.2642 29.3472 29.4180 29.5405 29.6136 29.6430 29.7644 29.8196 29.9250 30.1737 30.2442 30.2768 30.3418 30.5189 30.5787 30.7383 30.7691 30.8831 31.0850 31.1686 31.4090 31.4529 31.6866 31.8035 32.0339 32.1828 32.2089 32.3405 32.4780 32.5291 32.6636 32.7503 32.7996 33.0041 33.1153 33.1459 33.3766 33.4147 33.5413 33.5734 33.6907 33.7209 33.9083 34.0145 34.1836 34.2823 34.4671 34.5211 34.5752 34.6538 34.7885 34.8857 35.2496 35.2738 35.3229 35.5061 35.7353 35.8011 35.8512 35.8843 36.0546 36.1843 36.2295 36.3659 36.5039 36.6013 36.9007 36.9318 37.0033 37.1925 37.2461 37.4130 37.4655 37.6648 37.8791 37.8995 38.0015 38.0914 38.2510 38.3405 38.4071 38.4631 38.5097 38.6979 38.7938 38.8843 39.0457 39.1060 39.2137 39.3658 39.4313 39.5544 39.6577 39.8110 39.9001 40.0661 40.1080 40.2656 40.3502 40.4625 40.5745 40.6471 40.7117 40.8270 40.9381 41.0617 41.2807 41.3962 41.4428 41.6230 41.7066 41.7539 41.7985 41.9663 42.0000 42.1588 42.2894 42.3023 42.4603 42.5841 42.6510 42.8010 42.8740 43.0796 43.1624 43.3693 43.4374 43.5373 43.6935 43.8138 43.8980 43.9513 44.1606 44.2442 44.3242 44.4682 44.5211 44.6989 44.7478 44.7787 44.9317 44.9895 45.2096 45.2992 45.3145 45.4279 45.5617 45.7859 45.8762 45.9531 46.0087 46.2500 46.2881 46.4116 46.6599 46.6925 46.7924 46.9017 47.0788 47.1449 47.2607 47.3644 47.7849 47.8766 47.9231 48.0250 48.1436 48.3187 48.3651 48.4910 48.6675 48.7974 48.8994 49.0902 49.2432 49.3799 49.5341 49.5867 49.7091 49.8617 49.9755 50.3449 50.3731 50.8220 50.8385 51.1022 51.1456 51.2676 51.4069 51.6645 51.9354 52.0002 52.1472 52.2855 52.5114 52.7517 52.8545 52.9946 53.2007 53.2972 53.5230 53.6761 53.8670 54.0920 54.2540 54.6927 54.8409 54.9836 55.1860 55.3372 55.6975 55.7504 56.0381 56.4469 56.5942 56.8769 57.0704 57.2938 57.3103 57.4767 57.5425 57.6526 57.9242 58.1295 58.3395 58.4667 58.6249 58.7236 58.9368 59.1095 59.1976 59.3622 59.6656 60.0424 60.1309 60.3140 60.4956 60.8329 61.0488 61.1567 61.5300 61.6475 61.7742 62.0475 62.3681 62.5977 62.7000 62.9671 63.1019 63.4247 63.5279 63.8221 63.9871 64.2121 64.3970 64.4533 64.5744 65.0989 65.2686 65.3593 65.4097 65.8979 66.0568 66.2166 66.5427 66.8585 66.9158 67.3121 67.4593 67.6259 67.6510 67.7598 68.0563 68.2784 68.4078 68.7707 68.8738 69.0730 69.2645 69.4384 69.6833 70.2085 70.4019 70.4984 71.0560 71.2037 71.4837 71.5852 71.9491 71.9858 72.1798 72.4798 72.8676 72.8918 73.0287 73.3799 73.5092 73.5819 73.8362 73.9299 74.1358 74.3386 74.5204 74.7227 74.9314 75.1929 75.2624 75.5342 75.6153 75.8380 75.9006 76.2727 76.4077 76.4912 76.7768 76.8878 77.0391 77.1254 77.3263 77.3953 77.6192 77.7101 77.8682 77.9533 78.1203 78.2825 78.4776 78.6033 78.7318 78.8238 79.0251 79.1271 79.1607 79.2719 79.2989 79.4396 79.4800 79.6189 79.6585 79.7767 79.8245 79.9593 80.0708 80.1258 80.2411 80.3393 80.5142 80.5758 80.6913 80.7766 80.8994 80.9620 81.2731 81.2898 81.4850 81.5472 81.6873 81.9333 82.0441 82.1343 82.2845 82.4730 82.6591 82.8591 82.9671 83.1152 83.2078 83.2777 83.3483 83.4508 83.5467 83.7753 83.9144 83.9415 84.0565 84.1959 84.3530 84.3841 84.4271 84.4541 84.5380 84.7169 84.8179 84.8862 84.9711 85.2185 85.2732 85.4211 85.4556 85.5933 85.6787 85.8266 85.8775 85.9762 86.0151 86.1417 86.1965 86.3479 86.4732 86.5035 86.6393 86.7132 86.8978 87.0637 87.2348 87.3646 87.4363 87.5670 87.6883 87.7601 87.7963 87.8141 88.0748 88.0892 88.1614 88.3747 88.4241 88.5519 88.6667 88.7808 88.8563 88.9153 89.0779 89.1133 89.3125 89.5143 89.5350 89.6258 89.6758 89.7985 89.8615 89.9421 90.0718 90.1180 90.2113 90.4317 90.5830 90.6013 90.6488 90.8507 91.0425 91.0928 91.1849 91.4048 91.4645 91.6031 91.7025 91.9813 91.9919 92.1472 92.2831 92.4681 92.5615 92.6270 92.6923 92.7599 92.8609 93.0553 93.1098 93.2780 93.3307 93.4877 93.5457 93.6646 93.7604 93.8617 93.9734 94.0235 94.1436 94.2333 94.5039 94.5139 94.6504 94.7080 94.8178 95.0268 95.0822 95.1984 95.3812 95.5097 95.5894 95.6695 95.6987 95.9076 95.9652 96.0940 96.1659 96.3691 96.5631 96.6810 96.8184 96.8684 97.0249 97.1363 97.2772 97.3369 97.4286 97.6325 97.7458 97.9765 98.0146 98.0654 98.1790 98.2418 98.4144 98.5707 98.6741 98.7781 98.9284 99.0598 99.2030 99.3558 99.4046 99.4997 99.6008 99.7420 99.8605 99.9214 100.0566 100.0999 100.3896 100.4304 100.5281 100.7060 101.0321 101.0648 101.1002 101.1568 101.2992 101.4492 101.7386 101.8032 101.9940 102.0503 102.2739 102.5083 102.7235 103.0702 103.2508 103.3314 103.4056 103.5337 103.6458 103.7574 103.8538 104.1081 104.1463 104.3055 104.4750 104.5283 104.8691 104.9217 105.1183 105.1756 105.4027 105.4560 105.5820 105.6294 105.7008 105.8646 105.9622 106.0159 106.3255 106.3677 106.5978 106.8533 106.9134 107.0016 107.1368 107.1869 107.3314 107.3947 107.4781 107.6314 107.6613 107.7423 107.8467 108.1669 108.2435 108.3123 108.4919 108.6509 108.6721 108.9172 109.0401 109.1271 109.3171 109.4235 109.5723 109.6190 109.8081 109.8652 110.0058 110.2479 110.3100 110.3762 110.7353 110.8027 110.9848 111.0850 111.2696 111.3781 111.5956 111.6113 111.6363 111.7800 111.9102 111.9611 112.0564 112.4024 112.5204 112.6529 112.7458 112.8317 112.9968 113.1437 113.4070 113.5066 113.7968 113.8489 113.9163 114.1258 114.2315 114.3081 114.4798 114.5801 114.7111 114.8020 114.8949 115.0919 115.1922 115.2560 115.4609 115.5555 115.6789 115.9065 115.9969 116.1895 116.2487 116.3672 116.4740 116.6210 116.7392 116.9074 116.9621 117.1116 117.1859 117.2244 117.3990 117.4518 117.6068 117.7266 117.7625 118.0777 118.1473 118.3548 118.4473 118.5509 118.6433 118.7657 118.8329 119.0174 119.1100 119.2137 119.2653 119.4228 119.4615 119.5668 119.6444 119.7653 119.8787 120.0855 120.1165 120.2085 120.2722 120.4108 120.4650 120.6013 120.7929 120.9475 121.1116 121.3900 121.4462 121.6403 121.6979 121.9839 122.1531 122.4616 122.4834 122.6778 122.8887 122.9305 123.0299 123.2915 123.6891 123.8887 123.9355 124.3267 124.8012 124.9908 125.3541 125.4204 125.8908 126.0811 126.2536 126.4867 126.6600 126.8305 126.9525 127.0769 127.2099 127.2686 127.3459 127.5901 127.6195 127.8227 127.9161 128.0394 128.0755 128.4321 128.5526 128.8301 128.9934 129.4300 129.4481 129.7732 129.9183 130.0041 130.4634 130.5006 130.6437 130.8994 131.0413 131.1605 131.4416 131.7045 131.8602 131.9285 131.9896 132.0654 132.1176 132.2733 132.6658 132.7984 133.0998 133.2299 133.5250 133.6813 134.0233 134.1595 134.2737 134.5210 134.5806 134.8513 135.3252 135.4172 135.5948 135.9729 136.4302 136.5266 136.6161 136.7965 136.8943 137.1332 137.3338 137.6214 137.7918 138.0208 138.1959 138.3801 138.6127 138.7253 138.8486 139.0848 139.3642 139.5971 139.9351 140.1323 140.2349 140.3868 140.5580 140.7160 141.0086 141.5268 141.6708 141.8569 142.0398 142.5305 142.9627 143.1339 143.2318 143.5735 143.7309 143.7721 143.9244 144.0175 144.1109 144.5888 144.7560 144.7914 144.9945 145.0900 145.3880 146.3287 146.5469 146.7895 146.9816 147.2095 147.3828 147.6031 147.8975 148.0708 148.1552 148.3460 148.3720 148.5393 148.5719 148.8280 148.9011 149.1112 149.4357 149.4661 149.5933 149.8281 150.0014 150.0916 150.4069 150.6644 150.8298 150.9154 151.1550 151.5554 151.6903 151.9873 152.1221 152.3402 152.6819 153.3629 153.4886 153.7277 153.9277 154.0741 154.3683 154.7762 155.2494 155.5041 155.8376 156.0453 156.0984 156.2456 156.5791 156.7033 157.0065 157.0935 157.2305 157.2587 157.4664 157.7153 157.8487 158.0493 158.1790 158.3214 158.8671 159.0038 159.1942 159.5351 160.7419 161.5715 161.7256 162.1638 162.5209 162.7542 163.3510 164.4536 164.8842 168.5000 168.6612 169.4264 170.2446 171.5682 172.5981 173.9041 174.0880 176.3372 179.3788 180.2024 182.5235 186.4632 186.6338 186.8121 187.9763 188.6439 189.2384 189.4419 190.0971 190.1766 191.1779 192.5097 192.7384 193.0688 195.1474 195.9414 200.0326 202.0735 203.1636 205.9007 206.4922 207.5829 212.5490 229.8450 235.8158 241.0648 247.9457 248.8219 339.5043 618.4130 618.9455 623.0485 629.8412 630.3146 631.4687 632.4161 632.5727 634.3934 634.5089 634.9328 635.4826 636.9468 637.4113 637.6122 639.1523 639.6575 640.4761 643.1108 643.3937 645.7206 646.5826 653.9100 655.6217 658.1639 1213.6723 1214.7713 1563.1026 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 Si F 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 C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 0.509097 -0.221049 -0.340148 -0.342123 -0.218694 -0.158349 -0.148081 -0.451489 -0.434979 -0.090437 -0.102460 -0.195762 0.056017 -0.264380 -0.262890 0.331015 -0.264266 -0.222749 0.252830 -0.164268 0.170486 0.071115 -0.274916 0.323782 -0.272657 -0.241078 -0.097878 -0.082933 -0.244991 0.059439 0.089779 0.082877 0.082813 0.109770 0.107569 0.103685 0.106952 0.105529 0.109815 0.085888 0.093049 0.141906 0.141620 0.135552 0.138499 0.151067 0.146188 0.150472 0.094913 0.090014 0.086867 0.090409 0.088069 0.146952 0.181656 0.160629 0.143506 0.156754 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 Si F 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 C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 13.4909 9.2210 8.3401 8.3421 6.2187 6.1583 6.1481 6.4515 6.4350 6.0904 6.1025 6.1958 5.9440 6.2644 6.2629 5.6690 6.2643 6.2227 5.7472 6.1643 5.8295 5.9289 6.2749 5.6762 6.2727 6.2411 6.0979 6.0829 6.2450 0.9406 0.9102 0.9171 0.9172 0.8902 0.8924 0.8963 0.8930 0.8945 0.8902 0.9141 0.9070 0.8581 0.8584 0.8644 0.8615 0.8489 0.8538 0.8495 0.9051 0.9100 0.9131 0.9096 0.9119 0.8530 0.8183 0.8394 0.8565 0.8432 14.0000 9.0000 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 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.5091 -0.2210 -0.3401 -0.3421 -0.2187 -0.1583 -0.1481 -0.4515 -0.4350 -0.0904 -0.1025 -0.1958 0.0560 -0.2644 -0.2629 0.3310 -0.2643 -0.2227 0.2528 -0.1643 0.1705 0.0711 -0.2749 0.3238 -0.2727 -0.2411 -0.0979 -0.0829 -0.2450 0.0594 0.0898 0.0829 0.0828 0.1098 0.1076 0.1037 0.1070 0.1055 0.1098 0.0859 0.0930 0.1419 0.1416 0.1356 0.1385 0.1511 0.1462 0.1505 0.0949 0.0900 0.0869 0.0904 0.0881 0.1470 0.1817 0.1606 0.1435 0.1568 4.1023 1.0630 2.0604 2.0768 3.8085 3.9221 3.7306 3.9273 3.8834 3.8476 3.8598 3.8873 3.6007 4.0154 3.8409 3.7178 3.9171 3.9110 3.6322 3.8734 4.0729 3.7904 3.9736 3.7189 4.0104 3.8886 3.8574 3.7748 3.9870 1.0277 1.0139 1.0013 1.0109 1.0077 1.0097 1.0085 1.0071 1.0059 1.0087 1.0105 1.0076 0.9885 0.9949 1.0139 1.0136 1.0009 1.0007 0.9972 0.9871 0.9868 1.0037 1.0056 1.0031 1.0080 0.9797 0.9871 1.0080 0.9935 4.1023 1.0630 2.0604 2.0768 3.8085 3.9221 3.7306 3.9273 3.8834 3.8476 3.8598 3.8873 3.6007 4.0154 3.8409 3.7178 3.9171 3.9110 3.6322 3.8734 4.0729 3.7904 3.9736 3.7189 4.0104 3.8886 3.8574 3.7748 3.9870 1.0277 1.0139 1.0013 1.0109 1.0077 1.0097 1.0085 1.0071 1.0059 1.0087 1.0105 1.0076 0.9885 0.9949 1.0139 1.0136 1.0009 1.0007 0.9972 0.9871 0.9868 1.0037 1.0056 1.0031 1.0080 0.9797 0.9871 1.0080 0.9935 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.9524 0.9978 0.9792 0.9470 1.0623 1.0829 0.8751 0.9508 0.9497 0.9229 0.9787 0.9710 0.9320 1.0128 1.0013 1.3090 1.3505 0.9744 0.9725 0.9738 0.9769 0.9739 0.9715 0.8865 1.0221 1.0096 1.4895 0.9848 1.4093 0.9809 1.3359 1.3730 1.3379 0.9957 1.2851 0.9965 1.3510 0.9740 1.4083 0.9848 1.3821 1.4343 0.9848 0.9668 0.9752 0.9727 0.9936 0.9898 0.9943 1.3783 1.3832 1.4282 0.9870 1.3612 0.9413 1.4105 0.9803 1.4274 0.9692 0.9912 0 4 0 6 0 7 0 8 1 20 2 15 2 21 3 18 3 23 4 5 4 29 4 30 5 9 5 31 5 32 6 10 6 11 7 33 7 34 7 35 8 36 8 37 8 38 9 12 9 39 9 40 10 13 10 41 11 14 11 42 12 16 12 17 13 15 13 43 14 15 14 44 16 18 16 45 17 19 17 46 18 20 19 20 19 47 21 22 21 48 21 49 22 50 22 51 22 52 23 24 23 25 24 26 24 53 25 27 25 54 26 28 26 55 27 28 27 56 28 57 -0.031612903 -1510.085334054479 -13.58940 12.87819 -0.71121 21.72918 -21.43953 0.28966 13.95259 -13.58182 0.37078 0.85276 2.16754