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:-2.6748,1.3697,.4609;.9116,-4.1829,-3.2049;2.6251,4.0979,1.499;1.6789,-3.3565,-.7643;-2.2566,-.4647,.6313;-3.4127,-1.4361,.411;-1.0703,2.3089,.755;-3.9508,1.8701,1.7525;-3.3266,1.7391,-1.2649;-3.0257,-2.9127,.5929;-.361,2.1357,1.9503;-.4959,3.1516,-.194;-1.9791,-3.3481,-.3915;.8515,2.7567,2.1795;.7244,3.7883,.0124;1.4148,3.5827,1.2038;-.6279,-3.2139,-.0885;-2.3326,-3.8129,-1.6562;.3477,-3.4913,-1.0341;-1.3659,-4.1184,-2.603;-.0349,-3.9354,-2.2892;3.2308,5.0468,.6294;2.6144,6.4251,.7384;2.119,-2.1458,-.2949;3.155,-2.1628,.6278;1.5836,-.9421,-.7377;3.6557,-.9623,1.112;2.0876,.2491,-.2366;3.1214,.2475,.6902;-1.447,-.6705,-.0773;-1.822,-.6266,1.6251;-3.8299,-1.3029,-.5922;-4.2256,-1.2145,1.109;-3.6079,1.6451,2.7651;-4.1631,2.9406,1.7115;-4.8987,1.3467,1.6073;-4.2743,1.2246,-1.4403;-3.5134,2.8049,-1.4133;-2.6351,1.4128,-2.0444;-2.6642,-3.0636,1.6136;-3.9197,-3.5308,.4799;-.7553,1.4929,2.7305;-.9976,3.3271,-1.1391;1.3821,2.5958,3.1105;1.1175,4.4237,-.7699;-.327,-2.8688,.8942;-3.3779,-3.9355,-1.9127;-1.6433,-4.477,-3.5862;3.2237,4.6876,-.4043;4.2743,5.0821,.9428;2.6652,6.7965,1.7626;3.1696,7.1185,.1051;1.5729,6.4496,.4174;3.5635,-3.1075,.9646;.7837,-.9232,-1.4676;4.4621,-.9778,1.8341;1.6656,1.1855,-.579;3.5073,1.1816,1.0773; 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 2908.0370350728 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 5.967e-06 Time for diagonalization 0.514 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.504 sec Total time needed 1.032 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:-2.6748,1.3697,.4609;.9116,-4.1829,-3.2049;2.6251,4.0979,1.499;1.6789,-3.3565,-.7643;-2.2566,-.4647,.6313;-3.4127,-1.4361,.411;-1.0703,2.3089,.7551;-3.9508,1.8701,1.7525;-3.3266,1.7391,-1.2649;-3.0257,-2.9127,.5929;-.361,2.1357,1.9503;-.4959,3.1516,-.194;-1.9791,-3.3481,-.3915;.8515,2.7567,2.1795;.7244,3.7883,.0124;1.4148,3.5827,1.2038;-.6279,-3.2139,-.0885;-2.3326,-3.8129,-1.6562;.3477,-3.4913,-1.0341;-1.3659,-4.1184,-2.603;-.0349,-3.9354,-2.2892;3.2308,5.0468,.6294;2.6144,6.4251,.7384;2.119,-2.1458,-.2949;3.155,-2.1628,.6278;1.5836,-.9421,-.7377;3.6557,-.9623,1.112;2.0876,.2491,-.2366;3.1214,.2475,.6902;-1.447,-.6705,-.0773;-1.822,-.6266,1.6251;-3.8299,-1.3029,-.5922;-4.2256,-1.2145,1.109;-3.6079,1.6451,2.765;-4.1631,2.9406,1.7115;-4.8987,1.3467,1.6073;-4.2743,1.2245,-1.4403;-3.5134,2.8049,-1.4133;-2.6351,1.4128,-2.0444;-2.6642,-3.0636,1.6136;-3.9197,-3.5308,.4799;-.7553,1.4929,2.7305;-.9976,3.3271,-1.1391;1.3821,2.5958,3.1105;1.1175,4.4237,-.7699;-.327,-2.8688,.8942;-3.3779,-3.9355,-1.9127;-1.6433,-4.477,-3.5862;3.2237,4.6876,-.4043;4.2743,5.0821,.9428;2.6652,6.7965,1.7626;3.1696,7.1185,.1051;1.5729,6.4496,.4174;3.5635,-3.1075,.9646;.7837,-.9232,-1.4676;4.4621,-.9778,1.8341;1.6656,1.1855,-.579;3.5073,1.1816,1.0773; 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:-2.6748,1.3697,.4609;.9116,-4.1829,-3.2049;2.6251,4.0979,1.499;1.6789,-3.3565,-.7643;-2.2566,-.4647,.6313;-3.4127,-1.4361,.411;-1.0703,2.3089,.755;-3.9508,1.8701,1.7525;-3.3266,1.7391,-1.2649;-3.0257,-2.9127,.5929;-.361,2.1357,1.9503;-.4959,3.1516,-.194;-1.9791,-3.3481,-.3915;.8515,2.7567,2.1795;.7244,3.7883,.0124;1.4148,3.5827,1.2038;-.6279,-3.2139,-.0885;-2.3326,-3.8129,-1.6562;.3477,-3.4913,-1.0341;-1.3659,-4.1184,-2.603;-.0349,-3.9354,-2.2892;3.2308,5.0468,.6294;2.6144,6.4251,.7384;2.119,-2.1458,-.2949;3.155,-2.1628,.6278;1.5836,-.9421,-.7377;3.6557,-.9623,1.112;2.0876,.2491,-.2366;3.1214,.2475,.6902;-1.447,-.6705,-.0773;-1.822,-.6266,1.6251;-3.8299,-1.3029,-.5922;-4.2256,-1.2145,1.109;-3.6079,1.6451,2.7651;-4.1631,2.9406,1.7115;-4.8987,1.3467,1.6073;-4.2743,1.2246,-1.4403;-3.5134,2.8049,-1.4133;-2.6351,1.4128,-2.0444;-2.6642,-3.0636,1.6136;-3.9197,-3.5308,.4799;-.7553,1.4929,2.7305;-.9976,3.3271,-1.1391;1.3821,2.5958,3.1105;1.1175,4.4237,-.7699;-.327,-2.8688,.8942;-3.3779,-3.9355,-1.9127;-1.6433,-4.477,-3.5862;3.2237,4.6876,-.4043;4.2743,5.0821,.9428;2.6652,6.7965,1.7626;3.1696,7.1185,.1051;1.5729,6.4496,.4174;3.5635,-3.1075,.9646;.7837,-.9232,-1.4676;4.4621,-.9778,1.8341;1.6656,1.1855,-.579;3.5073,1.1816,1.0773; 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 3377 GEPOL Volume 2936.1004 GEPOL Surface-area 1637.1606 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -1510.06876896 2908.03703507 -4418.10580403 -7846.36505200 3428.25924797 -0.02365219 -3013.98489631 1503.91612736 2.00409108 108.999994801587 108.999994801587 217.999989603175 -135.232985015860 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 -1800.5914 -674.8817 -524.6291 -524.1553 -281.9846 -281.5469 -281.5235 -281.3969 -280.9320 -279.9643 -279.8986 -279.7900 -279.7801 -279.7581 -279.7450 -279.7185 -279.7179 -279.7028 -279.6832 -279.5731 -279.5483 -279.4971 -279.4213 -279.4012 -279.2014 -279.1264 -278.7746 -278.7078 -278.6793 -145.6530 -100.7195 -100.7052 -100.6986 -36.7690 -32.9732 -32.3321 -27.0350 -26.5841 -26.4196 -24.9466 -24.1987 -24.1226 -23.6191 -23.5280 -23.4398 -23.0640 -22.8832 -22.0649 -21.3925 -21.3574 -20.6065 -20.5162 -19.8564 -19.6505 -19.5081 -19.2374 -18.6465 -18.4041 -17.9728 -17.4365 -17.3057 -16.8588 -16.3633 -16.0943 -16.0627 -15.9911 -15.6159 -15.4778 -15.1544 -14.9401 -14.7856 -14.7474 -14.6566 -14.5615 -14.2965 -14.2668 -14.2208 -14.1004 -13.9348 -13.7008 -13.5653 -13.4187 -13.3369 -13.2503 -13.1636 -13.0783 -12.9396 -12.8034 -12.7564 -12.6020 -12.4454 -12.3344 -12.2045 -12.0307 -11.8241 -11.6216 -11.5334 -11.3711 -11.2621 -11.1538 -10.4749 -10.3590 -9.9743 -9.5520 -9.4386 -9.2391 -8.8970 -8.4751 -8.2809 1.3913 1.5762 1.6742 1.8160 1.9210 2.1816 2.9652 3.4788 3.5814 3.6663 3.8122 3.9283 4.0282 4.3362 4.3486 4.4839 4.5445 4.5593 4.7390 4.8321 5.0051 5.0846 5.1238 5.1783 5.3329 5.4695 5.5015 5.5746 5.6856 5.6947 5.8548 5.9215 6.0893 6.1323 6.1540 6.1864 6.2497 6.3574 6.4758 6.4845 6.5592 6.7452 6.7790 6.8073 6.9057 7.0641 7.1161 7.3104 7.3430 7.3661 7.5450 7.6754 7.7372 7.8363 8.0056 8.1063 8.1675 8.2840 8.3616 8.4020 8.5987 8.6400 8.7294 8.8061 8.8539 8.9530 8.9747 9.0699 9.2099 9.3276 9.4938 9.5802 9.6971 9.8338 9.8749 9.9166 10.1613 10.2056 10.2688 10.2783 10.5003 10.6153 10.7728 10.7781 10.8718 10.9100 11.0856 11.1873 11.2861 11.3333 11.4282 11.4967 11.5665 11.7314 11.8173 11.8798 11.9346 12.0284 12.1881 12.3237 12.3399 12.4191 12.5628 12.6114 12.7215 12.8415 12.8899 13.0134 13.0696 13.1710 13.2394 13.2726 13.2933 13.3766 13.4564 13.5229 13.6849 13.7352 13.7777 13.9294 13.9680 14.0090 14.0840 14.1103 14.1945 14.3022 14.3436 14.3768 14.4929 14.5125 14.5460 14.7620 14.9206 14.9405 14.9903 15.0331 15.1494 15.1898 15.3047 15.3283 15.4611 15.5942 15.6643 15.6855 15.8320 15.9222 16.0381 16.0705 16.1542 16.1752 16.2670 16.3234 16.4599 16.5515 16.6544 16.7225 16.8658 17.0325 17.1285 17.1995 17.2854 17.3217 17.3865 17.5398 17.5527 17.7318 17.8964 18.0411 18.1879 18.3137 18.4719 18.5678 18.6803 18.9569 19.0564 19.1559 19.2871 19.3699 19.4436 19.5542 19.7228 19.7803 19.8619 19.9538 20.1014 20.2165 20.3195 20.3899 20.4507 20.5372 20.6888 20.7280 20.8902 21.0022 21.1651 21.2491 21.3314 21.3476 21.5308 21.6717 21.7903 21.8203 22.0198 22.1668 22.2245 22.4417 22.5227 22.6430 22.6841 22.8960 22.9208 23.0045 23.1588 23.2326 23.4532 23.5524 23.6714 23.7615 23.8540 23.9078 24.1194 24.2188 24.3703 24.4529 24.5485 24.7203 24.7853 24.8752 25.0738 25.1208 25.1756 25.3513 25.4872 25.5955 25.7296 25.8372 25.8866 25.9651 26.1229 26.2924 26.5084 26.5278 26.7324 26.8596 27.0373 27.0582 27.1612 27.3001 27.3428 27.4889 27.5965 27.6525 27.7508 27.8524 28.0556 28.1319 28.3316 28.3771 28.4635 28.6125 28.6969 28.8636 28.9954 29.1996 29.2987 29.3439 29.4224 29.5093 29.6238 29.7347 29.9029 30.0223 30.1214 30.1853 30.2280 30.5129 30.5773 30.7510 30.9358 31.0354 31.1756 31.2645 31.2894 31.4215 31.6166 31.6779 31.7613 31.8314 31.9134 32.0035 32.1712 32.2721 32.3581 32.5875 32.7115 32.7449 32.8050 33.0421 33.0803 33.2959 33.3830 33.4990 33.5800 33.6362 33.8645 33.9250 34.0341 34.0882 34.2949 34.3252 34.5238 34.6574 34.7445 34.9807 35.0509 35.1006 35.3122 35.3744 35.4654 35.5991 35.7093 35.7958 36.0070 36.1432 36.2390 36.2801 36.4398 36.5994 36.6462 36.7591 36.7867 36.9625 37.0569 37.1721 37.3051 37.4318 37.5786 37.6610 37.8071 37.9095 38.0147 38.1109 38.2001 38.3106 38.4580 38.5045 38.6244 38.7377 38.8894 39.0414 39.1518 39.2099 39.2924 39.3557 39.4784 39.5981 39.6105 39.7005 39.8527 40.0372 40.1946 40.2417 40.2778 40.4556 40.5640 40.6470 40.7431 40.7947 40.9457 41.0954 41.2532 41.2703 41.3733 41.5650 41.6590 41.7531 41.9244 42.0170 42.2700 42.3825 42.4260 42.4520 42.6552 42.7472 42.8490 42.9452 42.9799 43.1503 43.2582 43.3800 43.4303 43.4544 43.6813 43.8034 43.9351 44.1185 44.1803 44.2462 44.4353 44.5882 44.6753 44.8477 44.8974 45.0456 45.0762 45.1886 45.2847 45.2992 45.4349 45.4657 45.6434 45.7230 45.9495 46.0473 46.1129 46.1882 46.4493 46.6281 46.7037 46.7678 47.0098 47.0360 47.1001 47.3126 47.3832 47.4511 47.5960 47.6751 47.9836 48.0796 48.1692 48.3365 48.3959 48.6094 48.7261 48.8728 48.9825 49.0658 49.2137 49.3339 49.4657 49.5900 49.6458 49.8778 50.1095 50.2323 50.5483 50.7276 50.7600 51.0747 51.2009 51.3622 51.4317 51.5278 51.9110 52.2577 52.3810 52.5227 52.5897 52.6341 52.8524 52.9347 53.2208 53.4359 53.5672 53.7758 53.8518 54.2158 54.3046 54.5792 54.6858 55.1046 55.4049 55.4500 55.7422 55.8099 56.0678 56.1514 56.3360 56.6134 56.7398 56.9153 56.9918 57.2030 57.5787 57.6848 57.8633 58.0225 58.1278 58.2492 58.4936 58.6981 58.9443 59.0181 59.1642 59.5343 59.6244 60.1586 60.2617 60.4596 60.6900 61.1381 61.1866 61.2805 61.4375 61.6401 61.7701 62.1724 62.3533 62.5731 62.9982 63.1688 63.2551 63.4572 63.5945 63.8597 64.1111 64.2841 64.4266 64.6771 64.7807 65.0839 65.1605 65.3268 65.6572 65.9075 66.1232 66.2093 66.5052 66.6473 67.1225 67.3348 67.6165 67.6412 67.7191 67.9926 68.0497 68.3361 68.5721 68.6503 68.8896 68.9713 69.2828 69.4922 69.9814 70.1825 70.4544 70.5908 70.7637 70.9267 71.1909 71.4838 71.6754 72.3483 72.4407 72.6887 72.8216 72.8723 72.9906 73.3766 73.4630 73.9220 73.9258 74.2645 74.4094 74.6473 74.7644 74.8979 74.9912 75.0828 75.2542 75.6159 75.6805 75.8461 75.9955 76.1908 76.3562 76.5229 76.6884 76.7799 77.1490 77.1660 77.3261 77.4470 77.6682 77.6958 77.8531 77.9576 78.1825 78.2222 78.3466 78.3744 78.4373 78.6645 78.8029 78.9008 79.0824 79.1130 79.2916 79.3717 79.5050 79.6473 79.7006 79.7516 79.8562 79.9253 80.0480 80.2623 80.3760 80.4619 80.5560 80.7028 80.8157 80.8333 80.9816 81.1550 81.2151 81.3368 81.4126 81.5869 81.8118 81.9218 82.1682 82.2422 82.3280 82.5241 82.6813 82.7090 82.8061 82.9976 83.1690 83.3397 83.3582 83.4341 83.6075 83.7139 83.8359 83.9371 84.0159 84.1598 84.3052 84.3450 84.5303 84.6083 84.6910 84.8490 84.9566 85.0528 85.1679 85.3316 85.4356 85.5338 85.5571 85.6449 85.7558 85.8946 85.9572 86.0488 86.1628 86.2593 86.3397 86.4694 86.5120 86.5153 86.7207 86.8204 87.0133 87.2715 87.3124 87.4125 87.4975 87.5575 87.7479 87.8481 87.9204 87.9772 88.1210 88.2223 88.3484 88.3820 88.5246 88.6609 88.7693 88.7978 88.9210 88.9741 89.2054 89.3736 89.4279 89.4727 89.5697 89.6753 89.7893 89.8486 89.9844 90.0501 90.0963 90.2416 90.2586 90.4339 90.5527 90.6191 90.7298 90.8512 91.0305 91.1506 91.4157 91.4523 91.5149 91.6662 91.7955 91.8533 91.9502 92.1644 92.2546 92.3518 92.4443 92.5632 92.6386 92.8186 93.0430 93.1031 93.1820 93.2483 93.3244 93.4116 93.5812 93.6764 93.7187 93.8757 94.0231 94.0936 94.3126 94.3524 94.4673 94.5182 94.7561 94.8069 94.9952 95.0614 95.1688 95.3244 95.3598 95.5487 95.5748 95.6689 95.7751 95.9310 96.0062 96.1300 96.2111 96.4254 96.7251 96.7983 96.8891 96.9506 97.1776 97.3165 97.3730 97.5382 97.5996 97.7475 97.7914 97.8718 97.9827 98.0422 98.2575 98.3847 98.5244 98.6149 98.6667 98.8213 98.8811 99.1150 99.2123 99.2585 99.3448 99.4334 99.5476 99.6608 99.8089 99.9269 100.0538 100.2303 100.3242 100.4203 100.5475 100.7017 100.8750 100.9472 101.1255 101.2390 101.3664 101.4511 101.6020 101.6185 101.8679 101.9952 102.3145 102.5454 102.6925 102.8847 102.9549 103.2001 103.2432 103.3371 103.7286 103.7864 103.9669 104.0577 104.1364 104.3266 104.3468 104.6115 104.8083 105.0185 105.1895 105.2270 105.2648 105.4399 105.5105 105.5509 105.6642 105.8169 105.9226 106.1034 106.1699 106.4224 106.5230 106.6048 106.7438 106.8438 106.9006 107.1373 107.2808 107.3960 107.4999 107.6172 107.7620 107.9711 108.0667 108.1801 108.3909 108.4833 108.6960 108.7828 108.9232 109.0956 109.1754 109.3040 109.3825 109.5620 109.6573 109.7350 109.8799 109.9703 110.0588 110.0997 110.2628 110.4284 110.7944 110.8681 111.0370 111.1528 111.2661 111.3548 111.5539 111.6623 111.7638 111.9438 112.0089 112.0703 112.3770 112.4744 112.5208 112.5883 112.8495 113.0295 113.1478 113.3796 113.4716 113.5508 113.7357 113.8640 113.9171 114.0081 114.2775 114.2991 114.5471 114.6685 114.7500 114.8372 114.9331 115.1171 115.1922 115.3382 115.4255 115.5632 115.6475 115.8950 115.9999 116.0320 116.1276 116.2918 116.3487 116.4221 116.6500 116.7231 116.9659 117.1891 117.3270 117.4846 117.6133 117.6837 117.7759 117.9663 118.0011 118.1370 118.2063 118.3779 118.4087 118.5328 118.6960 118.7611 118.9070 119.0397 119.0705 119.1829 119.3342 119.4030 119.5635 119.6696 119.6913 119.7845 119.8888 120.0127 120.1691 120.2113 120.3846 120.4643 120.5926 120.8119 120.8796 121.0658 121.1445 121.3505 121.4025 121.6684 121.7986 122.0258 122.2237 122.2846 122.4304 122.8095 122.8742 123.0574 123.1552 123.3501 123.3765 123.8226 123.9801 124.4391 124.6413 125.0160 125.2620 125.6382 125.7537 126.0806 126.1715 126.2319 126.5008 126.6297 126.7051 126.8853 127.0786 127.1019 127.4032 127.5993 127.7570 127.8060 127.9083 127.9265 128.2635 128.3852 128.5504 128.8603 128.9933 129.0398 129.3451 129.4845 129.7196 129.8704 130.1403 130.5773 130.6719 130.9430 131.0499 131.1292 131.2753 131.5019 131.7237 131.8124 131.9137 131.9521 132.0886 132.3988 132.5137 132.6233 132.9482 133.1733 133.3957 133.5432 133.7991 133.9472 134.3798 134.4649 134.7636 134.9252 134.9990 135.5264 135.7104 135.8255 136.1844 136.4460 136.5572 136.5974 136.7198 137.2227 137.2904 137.5491 137.6558 137.9027 138.1271 138.3814 138.6118 138.7551 138.8710 138.9654 139.2807 139.6878 139.8108 140.0309 140.0332 140.2261 140.3937 140.7310 141.1842 141.2823 141.6281 141.7653 142.0420 142.1885 142.8183 143.1265 143.2774 143.4375 143.6682 143.8021 143.8895 144.0059 144.1248 144.3117 144.7079 144.8498 145.0073 145.2754 145.4294 146.1304 146.5892 146.9601 147.2147 147.3357 147.3850 147.5648 147.8107 148.0548 148.0660 148.3270 148.5043 148.6127 148.7621 148.8156 149.0342 149.0794 149.3273 149.4633 149.6265 149.7996 150.0692 150.1338 150.5635 150.5989 150.7957 150.8829 151.1415 151.2814 151.6170 151.8985 152.0764 152.3263 152.6044 153.0959 153.2385 153.5475 153.8246 154.1074 154.3855 154.8092 154.9845 155.4160 155.7561 155.9138 156.0907 156.2860 156.5636 156.6226 156.8860 156.9904 157.0534 157.1914 157.2845 157.6349 157.7172 158.1546 158.3812 158.7438 158.8447 159.0872 159.4102 159.8885 160.8495 161.2174 161.5967 161.6493 162.4461 162.7911 164.1157 164.2543 164.5318 167.8726 168.8288 169.5945 170.3758 171.7789 173.1193 174.2101 174.3540 176.7334 180.3244 180.9527 182.3230 186.0916 186.3932 186.7937 187.8857 188.7650 188.9607 189.4756 190.2688 190.3729 191.4647 192.6796 192.8305 193.9778 195.9270 196.4879 200.0602 201.5232 202.5122 205.3699 206.3955 207.6550 212.5891 229.9223 235.9239 241.1578 247.9769 248.8940 339.2807 617.8165 619.7647 622.5134 629.7264 630.1595 631.6424 632.5515 632.6020 634.2872 634.5466 634.8423 635.6601 637.1558 637.5527 637.8081 639.0281 639.2405 640.2014 642.8035 643.2961 645.5292 646.4081 654.0393 655.6405 658.2910 1213.4622 1214.9076 1563.3159 -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 0.506318 -0.217361 -0.340123 -0.336646 -0.229108 -0.146448 -0.182659 -0.423342 -0.449857 -0.097860 -0.074258 -0.150057 0.061945 -0.337553 -0.224756 0.350239 -0.237188 -0.211623 0.197998 -0.168765 0.190702 0.042230 -0.258328 0.275846 -0.231495 -0.188439 -0.128232 -0.172311 -0.184442 0.060176 0.088661 0.081298 0.081494 0.103416 0.105614 0.101231 0.108096 0.106788 0.107745 0.087557 0.091203 0.129996 0.138442 0.129925 0.137746 0.151269 0.142655 0.147463 0.085068 0.108632 0.088560 0.094255 0.090328 0.144689 0.156012 0.156057 0.183206 0.157987 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 13.4937 9.2174 8.3401 8.3366 6.2291 6.1464 6.1827 6.4233 6.4499 6.0979 6.0743 6.1501 5.9381 6.3376 6.2248 5.6498 6.2372 6.2116 5.8020 6.1688 5.8093 5.9578 6.2583 5.7242 6.2315 6.1884 6.1282 6.1723 6.1844 0.9398 0.9113 0.9187 0.9185 0.8966 0.8944 0.8988 0.8919 0.8932 0.8923 0.9124 0.9088 0.8700 0.8616 0.8701 0.8623 0.8487 0.8573 0.8525 0.9149 0.8914 0.9114 0.9057 0.9097 0.8553 0.8440 0.8439 0.8168 0.8420 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 0.5063 -0.2174 -0.3401 -0.3366 -0.2291 -0.1464 -0.1827 -0.4233 -0.4499 -0.0979 -0.0743 -0.1501 0.0619 -0.3376 -0.2248 0.3502 -0.2372 -0.2116 0.1980 -0.1688 0.1907 0.0422 -0.2583 0.2758 -0.2315 -0.1884 -0.1282 -0.1723 -0.1844 0.0602 0.0887 0.0813 0.0815 0.1034 0.1056 0.1012 0.1081 0.1068 0.1077 0.0876 0.0912 0.1300 0.1384 0.1299 0.1377 0.1513 0.1427 0.1475 0.0851 0.1086 0.0886 0.0943 0.0903 0.1447 0.1560 0.1561 0.1832 0.1580 4.1071 1.0691 2.0478 2.0753 3.8228 3.9260 3.7652 3.8941 3.9238 3.8550 3.8173 3.8582 3.5934 4.0375 3.8737 3.6398 3.9163 3.9128 3.6765 3.8796 4.0731 3.8599 3.9248 3.7005 4.0012 3.8852 3.9285 3.8483 3.8804 1.0289 1.0145 1.0025 1.0089 1.0077 1.0092 1.0079 1.0088 1.0082 1.0062 1.0096 1.0078 0.9946 0.9917 1.0178 1.0073 1.0018 1.0015 0.9981 0.9958 0.9922 1.0053 1.0087 1.0025 1.0068 0.9997 0.9900 0.9734 0.9975 4.1071 1.0691 2.0478 2.0753 3.8228 3.9260 3.7652 3.8941 3.9238 3.8550 3.8173 3.8582 3.5934 4.0375 3.8737 3.6398 3.9163 3.9128 3.6765 3.8796 4.0731 3.8599 3.9248 3.7005 4.0012 3.8852 3.9285 3.8483 3.8804 1.0289 1.0145 1.0025 1.0089 1.0077 1.0092 1.0079 1.0088 1.0082 1.0062 1.0096 1.0078 0.9946 0.9917 1.0178 1.0073 1.0018 1.0015 0.9981 0.9958 0.9922 1.0053 1.0087 1.0025 1.0068 0.9997 0.9900 0.9734 0.9975 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.9526 1.0150 0.9570 0.9709 1.0718 1.0448 0.8956 0.9447 0.9561 0.9284 0.9693 0.9803 0.9336 1.0085 1.0018 1.3064 1.3320 0.9748 0.9730 0.9739 0.9726 0.9750 0.9741 0.8846 1.0213 1.0111 1.4710 0.9893 1.4307 0.9796 1.3376 1.3660 1.3041 1.0152 1.2938 0.9882 1.3612 0.9756 1.4137 0.9847 1.3973 1.4260 0.9837 0.9572 0.9911 0.9794 0.9882 0.9854 0.9896 1.3928 1.3344 1.4379 0.9861 1.4083 0.9754 1.4303 0.9823 1.3837 0.9576 0.9736 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 -0.032635773 -1510.101404728018 -16.45117 15.52857 -0.92260 30.75001 -29.42991 1.32009 11.49697 -11.33755 0.15942 1.61841 4.11368