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:-3.4839,1.3058,.7898;1.0116,-4.889,1.0093;2.0576,3.6692,1.3942;2.107,-3.108,-.6105;-3.2573,-.365,-.063;-2.5745,-.291,-1.4259;-1.7885,2.1003,.9837;-4.2435,1.0173,2.4889;-4.5922,2.4304,-.2334;-2.3697,-1.6545,-2.1003;-1.4659,3.3282,.4112;-.7689,1.4512,1.6919;-1.4749,-2.561,-1.3034;-.1994,3.8931,.5183;.4971,1.9931,1.8148;.7971,3.2219,1.2209;-.092,-2.3931,-1.3549;-1.9989,-3.5425,-.4683;.7494,-3.1708,-.5735;-1.167,-4.3351,.3111;.1938,-4.1353,.259;2.5092,4.8177,.686;2.7954,4.5352,-.7733;2.7626,-1.9246,-.8146;2.3419,-.7237,-.2569;3.9303,-1.9875,-1.5623;3.1011,.4191,-.4646;4.6833,-.8385,-1.7526;4.2706,.3705,-1.2104;-2.6827,-1.0075,.6136;-4.2383,-.8451,-.1608;-1.6025,.2036,-1.3312;-3.1645,.3337,-2.1032;-3.6076,.3834,3.1111;-4.3952,1.9549,3.0277;-5.2152,.5234,2.4132;-4.7674,3.3885,.2605;-4.1791,2.6411,-1.2216;-5.5695,1.9665,-.3861;-3.3409,-2.1334,-2.2492;-1.9427,-1.4961,-3.0941;-2.2136,3.8795,-.1478;-.9566,.491,2.1614;-.0157,4.8487,.0456;1.2663,1.4684,2.3693;.3303,-1.6457,-2.0167;-3.0697,-3.6954,-.4211;-1.5742,-5.099,.9614;3.4274,5.1136,1.1936;1.8057,5.6478,.7998;3.1718,5.4426,-1.2478;3.5588,3.7637,-.8822;1.9093,4.2198,-1.3248;1.4387,-.6696,.3381;4.2486,-2.9323,-1.9852;2.7778,1.3539,-.0262;5.5955,-.8923,-2.3328;4.8571,1.2668,-1.3637; 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 2893.9596528394 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 6.237e-06 Time for diagonalization 0.480 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.507 sec Total time needed 1.002 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:-3.4839,1.3058,.7898;1.0116,-4.889,1.0093;2.0576,3.6692,1.3942;2.107,-3.108,-.6105;-3.2573,-.365,-.063;-2.5745,-.291,-1.4259;-1.7885,2.1003,.9837;-4.2435,1.0173,2.4889;-4.5922,2.4304,-.2334;-2.3697,-1.6545,-2.1003;-1.4659,3.3282,.4112;-.7689,1.4512,1.6919;-1.4749,-2.561,-1.3034;-.1994,3.8931,.5183;.4971,1.9931,1.8148;.7971,3.2219,1.2209;-.092,-2.3931,-1.3549;-1.9989,-3.5425,-.4683;.7494,-3.1708,-.5735;-1.167,-4.3351,.3111;.1938,-4.1353,.259;2.5092,4.8177,.686;2.7954,4.5352,-.7733;2.7626,-1.9246,-.8146;2.3419,-.7237,-.2569;3.9303,-1.9875,-1.5623;3.1011,.4191,-.4646;4.6833,-.8385,-1.7526;4.2706,.3705,-1.2104;-2.6827,-1.0075,.6136;-4.2383,-.8451,-.1608;-1.6025,.2036,-1.3312;-3.1645,.3337,-2.1032;-3.6076,.3834,3.1111;-4.3952,1.9549,3.0277;-5.2152,.5234,2.4132;-4.7674,3.3885,.2605;-4.1791,2.6411,-1.2216;-5.5695,1.9665,-.3861;-3.3409,-2.1334,-2.2492;-1.9427,-1.4961,-3.0941;-2.2136,3.8795,-.1478;-.9566,.491,2.1614;-.0157,4.8487,.0456;1.2663,1.4684,2.3693;.3303,-1.6457,-2.0167;-3.0697,-3.6954,-.4211;-1.5742,-5.099,.9614;3.4274,5.1136,1.1936;1.8057,5.6478,.7998;3.1718,5.4426,-1.2478;3.5588,3.7637,-.8822;1.9093,4.2198,-1.3248;1.4387,-.6696,.3381;4.2486,-2.9323,-1.9852;2.7778,1.3539,-.0262;5.5955,-.8923,-2.3328;4.8571,1.2668,-1.3637; 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 "1-OCTANOL" 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:-3.4839,1.3058,.7898;1.0116,-4.889,1.0093;2.0576,3.6692,1.3942;2.107,-3.108,-.6105;-3.2573,-.365,-.063;-2.5745,-.291,-1.4259;-1.7885,2.1003,.9837;-4.2435,1.0173,2.4889;-4.5922,2.4304,-.2334;-2.3697,-1.6545,-2.1003;-1.4659,3.3282,.4112;-.7689,1.4512,1.6919;-1.4749,-2.561,-1.3034;-.1994,3.8931,.5183;.4971,1.9931,1.8148;.7971,3.2219,1.2209;-.092,-2.3931,-1.3549;-1.9989,-3.5425,-.4683;.7494,-3.1708,-.5735;-1.167,-4.3351,.3111;.1938,-4.1353,.259;2.5092,4.8177,.686;2.7954,4.5352,-.7733;2.7626,-1.9246,-.8146;2.3419,-.7237,-.2569;3.9303,-1.9875,-1.5623;3.1011,.4191,-.4646;4.6833,-.8385,-1.7526;4.2706,.3705,-1.2104;-2.6827,-1.0075,.6136;-4.2383,-.8451,-.1608;-1.6025,.2036,-1.3312;-3.1645,.3337,-2.1032;-3.6076,.3834,3.1111;-4.3952,1.9549,3.0277;-5.2152,.5234,2.4132;-4.7674,3.3885,.2605;-4.1791,2.6411,-1.2216;-5.5695,1.9665,-.3861;-3.3409,-2.1334,-2.2492;-1.9427,-1.4961,-3.0941;-2.2136,3.8795,-.1478;-.9566,.491,2.1614;-.0157,4.8487,.0456;1.2663,1.4684,2.3693;.3303,-1.6457,-2.0167;-3.0697,-3.6954,-.4211;-1.5742,-5.099,.9614;3.4274,5.1136,1.1936;1.8057,5.6478,.7998;3.1718,5.4426,-1.2478;3.5588,3.7637,-.8822;1.9093,4.2198,-1.3248;1.4387,-.6696,.3381;4.2486,-2.9323,-1.9852;2.7778,1.3539,-.0262;5.5955,-.8923,-2.3328;4.8571,1.2668,-1.3637; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Si F O C H 2.4700 1.7300 1.6280 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3382 GEPOL Volume 2928.0966 GEPOL Surface-area 1639.7534 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -1510.06965656 2893.95965284 -4404.02930940 -7817.96720915 3413.93789975 -0.02305432 -3013.97051955 1503.90086299 2.00410186 108.999929530564 108.999929530564 217.999859061129 -135.229693073148 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 -1800.5874 -674.8482 -524.7113 -524.1616 -281.9491 -281.6561 -281.5630 -281.4045 -280.9342 -279.9621 -279.8727 -279.8002 -279.7936 -279.7868 -279.7540 -279.7169 -279.7120 -279.7099 -279.6759 -279.6153 -279.5461 -279.5171 -279.4043 -279.3744 -279.2105 -279.1255 -278.7859 -278.7062 -278.6738 -145.6495 -100.7152 -100.7019 -100.6956 -36.7270 -33.0487 -32.3335 -27.0451 -26.6071 -26.4241 -24.9449 -24.2063 -24.1666 -23.6665 -23.5537 -23.4434 -23.0509 -22.8753 -22.0751 -21.3785 -21.3519 -20.7193 -20.5210 -19.9574 -19.6154 -19.4875 -19.0735 -18.6480 -18.4531 -17.9503 -17.5146 -17.3319 -16.8075 -16.3505 -16.1481 -16.0881 -16.0254 -15.5965 -15.3570 -15.1445 -14.9476 -14.8397 -14.7826 -14.6643 -14.5548 -14.3603 -14.2951 -14.2112 -13.9466 -13.8808 -13.7501 -13.6353 -13.4309 -13.3464 -13.2509 -13.2032 -12.9550 -12.9055 -12.8911 -12.7663 -12.7544 -12.5110 -12.3049 -12.1776 -12.0501 -11.8477 -11.6642 -11.4646 -11.4255 -11.2673 -11.1367 -10.4669 -10.3529 -10.0008 -9.5508 -9.3928 -9.3284 -8.9401 -8.3524 -8.2990 1.3375 1.5921 1.6859 1.8129 1.9362 2.1906 2.9876 3.3735 3.5584 3.6920 3.7952 4.0062 4.0746 4.2522 4.3788 4.4686 4.5792 4.6021 4.6398 4.8522 4.9559 5.0564 5.1291 5.2889 5.3013 5.3943 5.4619 5.5428 5.6063 5.7369 5.8412 5.9301 5.9644 6.0926 6.1523 6.2302 6.2937 6.3534 6.4515 6.6277 6.6844 6.7408 6.8024 6.9087 7.0176 7.0768 7.1525 7.2064 7.3332 7.4783 7.5874 7.6922 7.7398 7.8382 7.9728 8.0729 8.2031 8.2674 8.3673 8.4065 8.4774 8.5623 8.6296 8.7280 8.7748 8.9826 9.0596 9.2049 9.3044 9.3875 9.5024 9.5293 9.6607 9.7219 9.8518 9.9183 10.0960 10.1886 10.2456 10.3714 10.4199 10.4904 10.6958 10.7413 10.8213 10.9316 11.0600 11.1493 11.2109 11.3350 11.3737 11.4682 11.5543 11.6140 11.7792 11.8217 11.8834 11.9515 12.0261 12.1358 12.3224 12.4091 12.4893 12.5302 12.6399 12.7016 12.8326 12.9145 13.0400 13.1256 13.1527 13.2057 13.3320 13.3467 13.4670 13.5240 13.6048 13.6184 13.7633 13.7959 13.8989 13.9755 14.0307 14.1112 14.1736 14.2102 14.3136 14.4083 14.5192 14.5879 14.5893 14.7191 14.7798 14.8721 14.9556 14.9715 15.1022 15.1128 15.2687 15.3088 15.3849 15.4676 15.5201 15.5671 15.7430 15.7966 15.9370 16.0474 16.1005 16.1197 16.2276 16.4393 16.5836 16.5970 16.6098 16.6899 16.8477 16.8621 17.1033 17.1590 17.2790 17.3906 17.6107 17.6276 17.7276 17.9271 18.0024 18.1231 18.2579 18.3698 18.5066 18.6147 18.7878 18.8485 18.9825 19.0616 19.3431 19.3706 19.3844 19.5153 19.5850 19.8187 19.8802 19.9454 20.0910 20.2438 20.3432 20.3881 20.5138 20.5810 20.6267 20.7656 20.9871 21.0724 21.1249 21.1903 21.3230 21.4152 21.5094 21.6449 21.7422 21.8798 21.9888 22.1292 22.1661 22.2961 22.3362 22.3981 22.5034 22.8120 22.8998 23.0458 23.1087 23.2258 23.3303 23.3430 23.4100 23.5688 23.6863 23.8189 23.9810 24.0151 24.3543 24.4884 24.5435 24.6020 24.7560 24.8238 24.9617 25.0578 25.1582 25.2906 25.4183 25.5824 25.7185 25.8165 26.0451 26.1384 26.2440 26.2710 26.4244 26.4691 26.6113 26.6312 26.7486 26.8129 26.9589 27.0831 27.2046 27.3152 27.4473 27.5462 27.6565 27.7070 27.8273 28.0367 28.1423 28.3416 28.4343 28.4930 28.7337 28.7924 28.9132 28.9522 29.1707 29.2644 29.4547 29.4807 29.5840 29.8357 29.8773 29.9542 30.1836 30.2542 30.3143 30.3842 30.4190 30.5090 30.6485 30.6895 30.7940 30.8593 31.0395 31.2200 31.4228 31.5184 31.6116 31.7304 31.8162 31.9814 32.1174 32.2411 32.5085 32.5230 32.6866 32.7618 32.8585 32.9341 32.9810 33.1175 33.2438 33.3688 33.4805 33.5208 33.6463 33.8112 33.8927 34.0992 34.1884 34.2759 34.3569 34.4228 34.5604 34.5781 34.7834 34.8309 34.9840 35.0189 35.3960 35.4733 35.6263 35.7203 35.8477 35.9152 36.0645 36.2101 36.3519 36.4403 36.4962 36.5603 36.8348 36.8726 36.9251 37.0456 37.1748 37.3297 37.4217 37.6297 37.6852 37.7544 37.9003 37.9874 38.1885 38.2498 38.3021 38.4050 38.5526 38.6654 38.7390 38.9232 38.9486 38.9966 39.1310 39.1792 39.2949 39.4521 39.5689 39.7101 39.7196 39.8426 39.9343 40.0066 40.0915 40.2550 40.4291 40.4965 40.6007 40.7024 40.8059 40.9229 40.9767 41.2434 41.2833 41.5496 41.6908 41.7829 41.8433 41.9924 42.1040 42.1899 42.3267 42.4303 42.5602 42.7258 42.7371 42.9093 43.0427 43.1330 43.2152 43.2920 43.4921 43.5325 43.5900 43.7478 43.8965 44.0354 44.1555 44.1787 44.2715 44.3948 44.4808 44.6163 44.6691 44.8382 44.8705 44.9343 45.1176 45.1959 45.3547 45.5119 45.6140 45.7073 45.8358 45.9985 46.0581 46.1566 46.3664 46.4436 46.4861 46.6319 46.7852 46.9068 46.9494 47.0678 47.1342 47.2741 47.5224 47.7810 47.8172 47.9315 48.0573 48.1778 48.3911 48.4497 48.7004 48.8193 48.9047 49.0924 49.1097 49.2476 49.4604 49.4735 49.7242 49.9267 50.2398 50.3697 50.5670 50.7932 50.8516 50.8655 51.0567 51.3265 51.5545 51.5683 51.6943 51.9181 52.0418 52.1801 52.5118 52.6884 52.8098 52.9494 53.1478 53.2239 53.3349 53.6687 53.8591 53.9862 54.2505 54.5034 54.5758 54.7288 55.2632 55.6096 55.7659 55.8929 56.0464 56.3500 56.5227 56.6474 56.7562 56.9319 57.0307 57.2354 57.4415 57.6972 57.8508 57.9220 58.2651 58.4027 58.6089 58.7737 58.9736 59.1375 59.3967 59.6100 59.7748 59.8580 60.0276 60.0793 60.3772 60.5370 60.8385 61.0667 61.4990 61.5821 61.9592 62.0799 62.3803 62.5503 62.8676 63.1085 63.3230 63.3715 63.5066 63.9761 64.0235 64.2349 64.3819 64.6269 64.7819 64.9629 65.1792 65.3729 65.5576 65.7011 65.7874 66.3799 66.5045 66.5663 67.0118 67.5172 67.5443 67.6858 67.7247 67.8021 68.0483 68.2691 68.4498 68.8419 68.9674 69.2302 69.4821 69.5455 69.8790 70.0729 70.3318 70.6132 71.0699 71.2506 71.3633 71.5042 71.8544 72.2339 72.6229 72.6799 72.8313 72.8465 73.2562 73.3427 73.4830 73.6455 73.8386 73.9735 74.1798 74.3403 74.4650 74.6745 74.8309 74.9567 75.1106 75.2845 75.5292 75.8278 75.9786 76.1752 76.4129 76.5866 76.6804 76.8338 76.9135 77.1658 77.2673 77.3515 77.5171 77.6764 77.8678 77.9479 78.0679 78.2186 78.3068 78.4587 78.4921 78.6171 78.8200 78.8924 79.0219 79.1308 79.2722 79.3216 79.4083 79.4944 79.6249 79.7402 79.8431 79.9125 80.0430 80.1938 80.3335 80.3894 80.4445 80.5339 80.7460 80.8350 80.9723 81.0300 81.2854 81.4036 81.5783 81.6520 81.7460 81.8770 81.9611 82.0033 82.2135 82.2591 82.3915 82.5118 82.5706 82.7995 82.8798 83.1016 83.1971 83.3287 83.4360 83.6688 83.7319 83.7835 84.0273 84.1859 84.2469 84.3500 84.4553 84.5823 84.6190 84.7608 84.7948 84.8642 85.1028 85.1783 85.2531 85.4133 85.5218 85.5584 85.6754 85.7354 85.7753 85.8718 86.0384 86.1893 86.2596 86.4037 86.4453 86.5235 86.6552 86.8169 86.8839 87.0284 87.1793 87.2942 87.3747 87.5561 87.5790 87.7444 87.7716 87.8670 87.9654 88.0476 88.2576 88.3815 88.4442 88.5267 88.6142 88.6838 88.8162 88.8463 89.0579 89.0752 89.2676 89.3381 89.3597 89.4783 89.5760 89.7718 89.8448 89.9391 90.0174 90.0569 90.2077 90.4269 90.5128 90.5444 90.6368 90.8123 90.9381 91.0493 91.1730 91.2992 91.4218 91.6363 91.7513 91.8958 92.0332 92.0535 92.1546 92.3603 92.4944 92.5788 92.7518 92.7834 92.8274 92.9316 93.0217 93.1208 93.3892 93.4483 93.5315 93.6302 93.7302 93.7769 93.8914 93.9841 94.1683 94.3253 94.3964 94.4324 94.5773 94.7896 94.8617 94.8980 94.9750 95.1405 95.2537 95.3092 95.3467 95.7072 95.7451 95.8872 96.0348 96.1259 96.2318 96.3060 96.5445 96.7442 96.8594 96.9523 97.0575 97.2241 97.3017 97.4256 97.5409 97.6309 97.7713 97.9199 98.0195 98.0465 98.2339 98.3959 98.5260 98.6528 98.7925 98.8072 98.8609 98.9779 99.1369 99.2801 99.3586 99.4480 99.5445 99.6451 99.7490 100.0009 100.0808 100.1691 100.3094 100.4757 100.5740 100.6039 100.7300 100.8065 100.9621 101.0704 101.3488 101.4288 101.5698 101.6875 101.9842 102.0569 102.1484 102.3452 102.5889 102.6444 102.9990 103.1152 103.3034 103.3734 103.5520 103.5676 103.7428 103.9348 104.0000 104.1499 104.4236 104.5106 104.6335 104.8462 105.1156 105.1921 105.3135 105.4524 105.5782 105.6344 105.7102 105.8406 105.9759 106.0792 106.1918 106.3454 106.3643 106.6215 106.7500 106.9303 107.0332 107.1594 107.2006 107.4260 107.4772 107.6277 107.7864 107.9688 108.0328 108.1359 108.2796 108.3976 108.5427 108.5854 108.7350 108.9677 109.0490 109.1657 109.1752 109.2949 109.4461 109.6195 109.7212 109.9046 110.0120 110.1540 110.3213 110.4580 110.5834 110.8352 110.9860 111.0647 111.1542 111.4023 111.5004 111.5483 111.6723 111.7669 111.8805 111.9712 112.1905 112.4289 112.4907 112.6563 112.8111 112.8704 113.1955 113.2482 113.3495 113.4303 113.5525 113.6768 113.8584 113.9513 114.1613 114.2684 114.3978 114.4577 114.7068 114.7397 114.8551 114.9205 115.0263 115.2828 115.3381 115.5506 115.6453 115.7032 115.8901 115.9573 116.1486 116.2387 116.2766 116.4097 116.6770 116.7890 116.9844 117.0431 117.1384 117.2818 117.5035 117.5742 117.7447 117.8059 117.8575 117.9911 118.2025 118.3553 118.4171 118.4576 118.4886 118.5395 118.6433 118.7874 118.9004 119.0383 119.2273 119.3422 119.3888 119.5707 119.6055 119.7749 119.8767 119.9367 120.1295 120.1701 120.2638 120.4324 120.5896 120.7092 120.8789 121.0726 121.1069 121.3722 121.4937 121.5813 121.7663 121.9546 122.0746 122.2617 122.5405 122.7034 122.8915 123.0678 123.1490 123.3939 123.6968 123.7027 123.7947 124.1138 124.5898 124.9896 125.4166 125.5858 125.9982 126.0450 126.2331 126.3782 126.4865 126.6608 126.6983 126.7372 126.8533 127.0662 127.4022 127.4432 127.5913 127.6611 127.9218 128.0616 128.1517 128.3599 128.4664 128.7131 128.9602 129.1111 129.1779 129.4425 129.6266 129.7187 129.8295 130.3426 130.5770 130.8217 130.9679 131.1592 131.2615 131.5621 131.8200 132.0226 132.1049 132.1624 132.1836 132.2537 132.4747 132.6980 132.7704 133.0365 133.0905 133.4176 133.5390 134.2791 134.3896 134.5311 134.6010 135.1072 135.2348 135.4211 135.7606 135.8474 136.2370 136.3366 136.4718 136.6652 136.7688 136.8869 137.1743 137.3662 137.5598 138.0604 138.1481 138.3960 138.4700 138.6637 138.8598 138.9036 139.3039 139.6099 139.6943 140.0264 140.1736 140.4609 140.5541 140.7216 141.2481 141.4483 141.8481 141.9206 142.0587 142.6317 142.8956 143.0571 143.3264 143.4045 143.5422 143.6772 143.8229 144.0869 144.2771 144.4086 144.7036 144.8613 144.9529 145.1892 145.2862 145.9712 146.4511 146.6000 146.9018 147.0476 147.3203 147.6428 147.8482 147.9342 148.2140 148.3098 148.6521 148.6947 148.9090 148.9624 149.1771 149.2457 149.3837 149.6986 149.8675 150.0724 150.2716 150.2935 150.7251 150.8299 150.8953 151.1162 151.1486 151.3192 151.4329 151.7112 151.8116 151.9844 152.1674 152.9707 153.2637 153.4196 153.8433 154.1594 154.4292 154.8731 155.2762 155.3254 155.7117 155.8470 155.9574 156.3219 156.4536 156.5970 156.8991 157.0017 157.1064 157.3355 157.3973 157.4673 157.6812 158.0916 158.3176 158.6127 159.0030 159.1889 159.3518 159.8475 160.6196 160.8587 161.3344 161.8240 162.2758 162.9423 163.0576 164.1514 165.2495 167.9757 168.8466 169.5282 170.8423 171.7878 172.7136 174.0759 174.3943 176.4355 180.4770 181.0625 182.6934 186.3636 186.8884 187.1757 188.1601 188.8056 189.2222 189.5027 190.2302 190.4053 191.2517 192.3021 192.7799 193.9439 195.2096 196.0061 200.0760 202.0838 202.6012 205.9578 206.5569 207.7709 212.6096 229.9118 235.8711 241.1066 248.0140 248.8721 339.1411 617.6793 619.1539 620.4137 629.5124 630.1841 631.6781 632.4740 632.7599 634.2452 634.5045 635.2944 635.4378 636.9495 637.0081 637.5509 638.5490 639.2734 640.0520 643.0709 643.1658 645.7430 646.7338 654.0469 655.6622 658.2597 1213.1424 1214.9659 1563.1720 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 0.495050 -0.218503 -0.338325 -0.325528 -0.265294 -0.126059 -0.187032 -0.426349 -0.449131 -0.099721 -0.123768 -0.094843 0.039946 -0.242293 -0.320497 0.350208 -0.226512 -0.236478 0.226872 -0.141198 0.164481 0.039760 -0.269432 0.327828 -0.252799 -0.273849 -0.055715 -0.086348 -0.245618 0.082647 0.087324 0.076012 0.086074 0.100563 0.102480 0.101577 0.108418 0.101608 0.109851 0.085898 0.095251 0.142678 0.134194 0.139221 0.138570 0.146083 0.141718 0.148038 0.108457 0.090758 0.102794 0.081236 0.095329 0.151733 0.143719 0.147044 0.157309 0.154562 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 13.5050 9.2185 8.3383 8.3255 6.2653 6.1261 6.1870 6.4263 6.4491 6.0997 6.1238 6.0948 5.9601 6.2423 6.3205 5.6498 6.2265 6.2365 5.7731 6.1412 5.8355 5.9602 6.2694 5.6722 6.2528 6.2738 6.0557 6.0863 6.2456 0.9174 0.9127 0.9240 0.9139 0.8994 0.8975 0.8984 0.8916 0.8984 0.8901 0.9141 0.9047 0.8573 0.8658 0.8608 0.8614 0.8539 0.8583 0.8520 0.8915 0.9092 0.8972 0.9188 0.9047 0.8483 0.8563 0.8530 0.8427 0.8454 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 0.4950 -0.2185 -0.3383 -0.3255 -0.2653 -0.1261 -0.1870 -0.4263 -0.4491 -0.0997 -0.1238 -0.0948 0.0399 -0.2423 -0.3205 0.3502 -0.2265 -0.2365 0.2269 -0.1412 0.1645 0.0398 -0.2694 0.3278 -0.2528 -0.2738 -0.0557 -0.0863 -0.2456 0.0826 0.0873 0.0760 0.0861 0.1006 0.1025 0.1016 0.1084 0.1016 0.1099 0.0859 0.0953 0.1427 0.1342 0.1392 0.1386 0.1461 0.1417 0.1480 0.1085 0.0908 0.1028 0.0812 0.0953 0.1517 0.1437 0.1470 0.1573 0.1546 4.1417 1.0663 2.0676 2.0872 3.8373 3.8571 3.7679 3.8971 3.9215 3.8551 3.8580 3.8326 3.6305 3.8971 3.9992 3.6885 3.9188 3.8837 3.6797 3.8655 4.0635 3.8629 3.9098 3.7039 3.9696 4.0223 3.8108 3.8660 3.9804 1.0131 1.0158 1.0067 1.0079 1.0094 1.0087 1.0089 1.0079 1.0069 1.0083 1.0087 1.0074 0.9892 0.9922 1.0049 1.0113 1.0041 1.0027 0.9975 0.9928 0.9955 1.0116 1.0046 1.0008 1.0021 1.0091 0.9856 0.9889 0.9937 4.1417 1.0663 2.0676 2.0872 3.8373 3.8571 3.7679 3.8971 3.9215 3.8551 3.8580 3.8326 3.6305 3.8971 3.9992 3.6885 3.9188 3.8837 3.6797 3.8655 4.0635 3.8629 3.9098 3.7039 3.9696 4.0223 3.8108 3.8660 3.9804 1.0131 1.0158 1.0067 1.0079 1.0094 1.0087 1.0089 1.0079 1.0069 1.0083 1.0087 1.0074 0.9892 0.9922 1.0049 1.0113 1.0041 1.0027 0.9975 0.9928 0.9955 1.0116 1.0046 1.0008 1.0021 1.0091 0.9856 0.9889 0.9937 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.9593 1.0155 0.9633 0.9785 1.0632 1.0583 0.9111 0.9757 0.9447 0.9086 0.9803 0.9810 0.9299 1.0044 1.0002 1.3349 1.3091 0.9748 0.9744 0.9731 0.9747 0.9757 0.9713 0.8830 1.0206 1.0126 1.4380 0.9698 1.4654 0.9902 1.3798 1.3446 1.3082 0.9811 1.3145 1.0053 1.3695 0.9563 1.3903 0.9966 1.3628 1.4484 0.9841 0.9421 0.9791 0.9991 0.9864 0.9911 0.9897 1.3776 1.3788 1.4029 0.9577 1.4287 0.9856 1.4195 0.9557 1.4165 0.9795 0.9827 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 -0.031340692 -1510.100997251348 -17.79366 17.07229 -0.72138 31.09055 -29.34859 1.74196 -5.73291 4.65414 -1.07878 2.17223 5.52136