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:-3.4632,1.3454,.2085;1.142,-4.4863,-2.0051;2.2966,3.1286,.7869;1.2965,-1.822,-1.9604;-3.68,-.4991,-.1777;-3.5808,-1.4617,1.0069;-1.665,1.8602,.441;-4.4263,1.7666,1.7705;-4.1502,2.3141,-1.2552;-2.1649,-1.661,1.5569;-1.1608,2.2643,1.6755;-.7718,1.8885,-.6379;-1.2682,-2.4102,.6103;.1551,2.6815,1.8471;.5409,2.2975,-.4936;1.0173,2.7094,.754;-.3625,-1.7421,-.2063;-1.3572,-3.7982,.5095;.4438,-2.4409,-1.0943;-.556,-4.5075,-.3713;.3454,-3.8205,-1.1582;2.866,3.6048,1.9997;3.3384,2.4927,2.9116;2.2728,-.9904,-1.4898;2.7948,-.0838,-2.4043;2.7663,-1.0492,-.1928;3.8119,.7728,-2.013;3.7809,-.1795,.1843;4.3061,.736,-.716;-4.68,-.5894,-.6178;-2.9928,-.798,-.9771;-3.9803,-2.4408,.7228;-4.2198,-1.1102,1.8218;-4.4103,2.8385,1.9787;-5.4742,1.475,1.6669;-4.0384,1.2566,2.6548;-4.0496,3.3914,-1.1069;-3.6332,2.065,-2.1848;-5.2107,2.103,-1.411;-1.7171,-.6956,1.8043;-2.2327,-2.2181,2.4947;-1.8015,2.2643,2.5501;-1.1008,1.5837,-1.6259;.4785,2.9832,2.8344;1.2065,2.3129,-1.3482;-.2795,-.6627,-.1514;-2.0597,-4.3386,1.1324;-.6211,-5.5859,-.4411;2.1716,4.2743,2.516;3.7166,4.2127,1.6896;4.1064,1.8877,2.4293;3.7777,2.9284,3.8102;2.5309,1.8313,3.2265;2.4054,-.0532,-3.4143;2.3783,-1.7616,.5238;4.2127,1.4797,-2.7281;4.1629,-.2269,1.1959;5.0941,1.412,-.4116; 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 2985.4425823539 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 5.226e-06 Time for diagonalization 0.506 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.510 sec Total time needed 1.030 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:-3.4632,1.3454,.2085;1.142,-4.4863,-2.0051;2.2966,3.1286,.7869;1.2965,-1.822,-1.9604;-3.68,-.4991,-.1777;-3.5808,-1.4617,1.0069;-1.665,1.8602,.441;-4.4263,1.7666,1.7705;-4.1502,2.3141,-1.2552;-2.1649,-1.661,1.5569;-1.1608,2.2643,1.6755;-.7718,1.8885,-.6379;-1.2682,-2.4102,.6103;.1551,2.6815,1.8471;.5409,2.2975,-.4936;1.0173,2.7094,.754;-.3625,-1.7421,-.2063;-1.3572,-3.7982,.5095;.4438,-2.4409,-1.0943;-.556,-4.5075,-.3713;.3454,-3.8205,-1.1582;2.866,3.6048,1.9997;3.3384,2.4927,2.9116;2.2728,-.9904,-1.4898;2.7948,-.0838,-2.4043;2.7663,-1.0492,-.1928;3.8119,.7728,-2.013;3.7809,-.1795,.1843;4.3061,.736,-.716;-4.68,-.5894,-.6178;-2.9928,-.798,-.9771;-3.9803,-2.4408,.7228;-4.2198,-1.1102,1.8218;-4.4103,2.8385,1.9787;-5.4742,1.475,1.6669;-4.0384,1.2566,2.6548;-4.0496,3.3914,-1.1069;-3.6332,2.065,-2.1848;-5.2107,2.103,-1.411;-1.7171,-.6956,1.8043;-2.2327,-2.2181,2.4947;-1.8015,2.2643,2.5501;-1.1008,1.5837,-1.6259;.4785,2.9832,2.8344;1.2065,2.3129,-1.3482;-.2795,-.6627,-.1514;-2.0597,-4.3386,1.1324;-.6211,-5.5859,-.4411;2.1716,4.2743,2.516;3.7166,4.2127,1.6896;4.1064,1.8877,2.4293;3.7777,2.9284,3.8102;2.5309,1.8313,3.2265;2.4054,-.0532,-3.4143;2.3783,-1.7616,.5238;4.2127,1.4797,-2.7281;4.1629,-.2269,1.1959;5.0941,1.412,-.4116; 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:-3.4632,1.3454,.2085;1.142,-4.4863,-2.0051;2.2966,3.1286,.7869;1.2965,-1.822,-1.9604;-3.68,-.4991,-.1777;-3.5808,-1.4617,1.0069;-1.665,1.8602,.441;-4.4263,1.7666,1.7705;-4.1502,2.3141,-1.2552;-2.1649,-1.661,1.5569;-1.1608,2.2643,1.6755;-.7718,1.8885,-.6379;-1.2682,-2.4102,.6103;.1551,2.6815,1.8471;.5409,2.2975,-.4936;1.0173,2.7094,.754;-.3625,-1.7421,-.2063;-1.3572,-3.7982,.5095;.4438,-2.4409,-1.0943;-.556,-4.5075,-.3713;.3454,-3.8205,-1.1582;2.866,3.6048,1.9997;3.3384,2.4927,2.9116;2.2728,-.9904,-1.4898;2.7948,-.0838,-2.4043;2.7663,-1.0492,-.1928;3.8119,.7728,-2.013;3.7809,-.1795,.1843;4.3061,.736,-.716;-4.68,-.5894,-.6178;-2.9928,-.798,-.9771;-3.9803,-2.4408,.7228;-4.2198,-1.1102,1.8218;-4.4103,2.8385,1.9787;-5.4742,1.475,1.6669;-4.0384,1.2566,2.6548;-4.0496,3.3914,-1.1069;-3.6332,2.065,-2.1848;-5.2107,2.103,-1.411;-1.7171,-.6956,1.8043;-2.2327,-2.2181,2.4947;-1.8015,2.2643,2.5501;-1.1008,1.5837,-1.6259;.4785,2.9832,2.8344;1.2065,2.3129,-1.3482;-.2795,-.6627,-.1514;-2.0597,-4.3386,1.1324;-.6211,-5.5859,-.4411;2.1716,4.2743,2.516;3.7166,4.2127,1.6896;4.1064,1.8877,2.4293;3.7777,2.9284,3.8102;2.5309,1.8313,3.2265;2.4054,-.0532,-3.4143;2.3783,-1.7616,.5238;4.2127,1.4797,-2.7281;4.1629,-.2269,1.1959;5.0941,1.412,-.4116; 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 3372 GEPOL Volume 2940.9187 GEPOL Surface-area 1633.7711 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.06701833 2985.44258235 -4495.50960068 -8001.56056818 3506.05096749 -0.02405019 -3013.97536914 1503.90835081 2.00409511 109.000071965515 109.000071965515 218.000143931029 -135.234675786303 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 -1800.6108 -674.8768 -524.6667 -524.1394 -281.9816 -281.5628 -281.5491 -281.4045 -280.9222 -279.9763 -279.8962 -279.7826 -279.7817 -279.7678 -279.7428 -279.7106 -279.7072 -279.6988 -279.6575 -279.5525 -279.5407 -279.4843 -279.4103 -279.3739 -279.1936 -279.1276 -278.8258 -278.6999 -278.6548 -145.6681 -100.7350 -100.7219 -100.7121 -36.7678 -33.0104 -32.3309 -27.0442 -26.5795 -26.4109 -24.9364 -24.2098 -24.1515 -23.6230 -23.5296 -23.4501 -23.0368 -22.8726 -22.0540 -21.4183 -21.3431 -20.6497 -20.5044 -19.9112 -19.5923 -19.4966 -19.2163 -18.6578 -18.3749 -17.9647 -17.4265 -17.3367 -16.8635 -16.3154 -16.1244 -16.0731 -15.9885 -15.6050 -15.4163 -15.0919 -14.9254 -14.9070 -14.7476 -14.6419 -14.5216 -14.3648 -14.2601 -14.2354 -14.0387 -13.9448 -13.7650 -13.6548 -13.4533 -13.4159 -13.2676 -13.0578 -12.9294 -12.8882 -12.7610 -12.7570 -12.6284 -12.4638 -12.3373 -12.1194 -11.9183 -11.8521 -11.7689 -11.5052 -11.3785 -11.3316 -11.1367 -10.4572 -10.3377 -9.9369 -9.5469 -9.3714 -9.3026 -8.8922 -8.4563 -8.2133 1.3401 1.6198 1.6727 1.7786 1.9839 2.1657 3.0634 3.3797 3.5563 3.7431 3.8721 3.9316 4.0667 4.1050 4.2213 4.4393 4.6235 4.6683 4.7319 4.8297 4.9714 5.0784 5.2202 5.2457 5.2884 5.3724 5.5312 5.5868 5.6380 5.7154 5.8182 5.9114 5.9348 6.0003 6.1829 6.2128 6.2719 6.4288 6.4757 6.5230 6.6416 6.7260 6.8288 6.8703 6.9800 7.1986 7.3000 7.3866 7.4902 7.5055 7.6000 7.7199 7.8679 7.9953 8.0698 8.1993 8.2484 8.2938 8.3354 8.4658 8.5159 8.6896 8.7745 8.7910 8.9437 8.9710 9.0395 9.1752 9.2314 9.3621 9.4506 9.6141 9.6722 9.8578 9.9934 10.0714 10.1834 10.3575 10.3672 10.4411 10.6315 10.7081 10.7920 10.8606 11.0156 11.1123 11.1599 11.2955 11.3318 11.4289 11.4549 11.5421 11.6180 11.6486 11.8102 11.9436 11.9902 12.1161 12.2340 12.3360 12.4278 12.5901 12.6470 12.7550 12.8773 12.9669 12.9999 13.1651 13.2175 13.2912 13.3073 13.3853 13.4503 13.5554 13.5999 13.6188 13.7696 13.7989 13.8996 13.9154 13.9750 14.0457 14.0777 14.2447 14.2908 14.3949 14.4227 14.5307 14.5423 14.6557 14.7463 14.8763 14.9024 14.9811 15.0585 15.1122 15.1514 15.2620 15.2959 15.4709 15.5225 15.6023 15.6318 15.7271 15.8083 15.8799 15.9869 16.0103 16.2349 16.2959 16.3374 16.3913 16.5091 16.5949 16.6996 16.8830 17.0109 17.0381 17.1690 17.2607 17.3397 17.3962 17.6161 17.6675 17.9249 17.9915 18.0924 18.2702 18.3822 18.5768 18.6969 18.9127 18.9435 19.0423 19.1293 19.2658 19.3218 19.5094 19.5836 19.6223 19.8244 19.9852 20.0843 20.1257 20.1921 20.3723 20.5445 20.7347 20.7863 20.9088 20.9601 21.0962 21.1355 21.3011 21.3700 21.4806 21.5984 21.6554 21.7873 21.8382 21.8554 21.8983 22.0581 22.2611 22.3450 22.5206 22.5806 22.6421 22.7164 22.8615 22.9495 23.1116 23.1404 23.3462 23.5112 23.6648 23.7013 23.8434 23.8867 24.0467 24.1672 24.3623 24.4811 24.6455 24.6958 24.8879 25.0100 25.0712 25.1573 25.2926 25.3819 25.4738 25.5403 25.6712 25.8780 25.9343 26.0880 26.2021 26.2980 26.4857 26.6351 26.6629 26.7549 26.8359 26.9775 27.1856 27.1981 27.3781 27.4342 27.4486 27.7424 27.9131 27.9677 28.1761 28.2361 28.4079 28.5716 28.7021 28.7931 28.8399 28.9810 29.0902 29.2249 29.3852 29.4038 29.5253 29.6065 29.8963 29.9338 30.0427 30.2389 30.4230 30.5109 30.5947 30.6974 30.7505 30.8377 30.9081 31.0444 31.0873 31.3451 31.4596 31.5670 31.6643 31.7235 31.8722 31.9880 32.0449 32.0571 32.3095 32.3600 32.4927 32.6293 32.6713 32.9113 33.0004 33.0653 33.2021 33.2554 33.4334 33.5801 33.6357 33.7307 33.8235 33.9753 33.9875 34.1052 34.2085 34.3813 34.4366 34.6255 34.8221 34.8367 34.9964 35.0520 35.0945 35.2292 35.5273 35.5955 35.6640 35.7579 35.9324 36.0824 36.3103 36.4103 36.4914 36.5719 36.6708 36.7407 37.0123 37.0605 37.0939 37.1699 37.3762 37.5723 37.6379 37.6805 37.8022 37.8843 37.9545 38.0367 38.1203 38.3952 38.4486 38.5430 38.5965 38.7446 38.8175 38.9205 39.1242 39.2120 39.2828 39.4257 39.5687 39.6975 39.7790 39.8120 39.9778 40.0751 40.2186 40.2425 40.3393 40.5281 40.5806 40.6538 40.9239 41.0152 41.0429 41.1641 41.2387 41.4198 41.4692 41.6102 41.7587 41.9057 42.0033 42.0901 42.2041 42.2812 42.3932 42.5318 42.6363 42.7755 42.8534 43.0266 43.1274 43.2476 43.2661 43.4030 43.4725 43.5973 43.7835 43.9133 43.9849 44.0947 44.1710 44.3025 44.4592 44.5255 44.6684 44.8663 44.9069 45.0005 45.1135 45.1429 45.4169 45.4591 45.4904 45.6812 45.7983 45.9632 45.9873 46.0422 46.1606 46.4091 46.6079 46.6414 46.7099 46.9289 47.0199 47.0918 47.2305 47.3367 47.5636 47.6580 47.7908 47.8159 48.1491 48.2101 48.2713 48.4348 48.6164 48.6618 48.7652 48.9055 49.1341 49.3040 49.4059 49.4958 49.9074 49.9485 50.0876 50.1573 50.3476 50.6084 50.7844 50.8215 50.9621 51.1907 51.2668 51.3072 51.5818 51.8734 51.9797 52.1950 52.2899 52.5289 52.6589 52.7563 52.9327 53.1270 53.4162 53.4913 53.6808 53.7813 53.9545 54.4206 54.4643 54.7639 55.0997 55.2869 55.4306 55.5711 55.7572 55.9405 56.0118 56.2532 56.4464 56.6021 56.6578 57.1150 57.3301 57.4721 57.7390 57.8783 58.0666 58.1441 58.5688 58.6498 58.9407 59.0659 59.1438 59.4197 59.5792 59.8973 59.9374 59.9606 60.0777 60.3801 60.5972 60.9004 61.0259 61.2338 61.3721 61.7335 62.1392 62.3613 62.4844 62.7146 62.7792 63.0292 63.1401 63.6682 63.8030 63.9222 64.1870 64.3742 64.4371 64.5756 64.8426 64.9535 65.3031 65.4319 65.6134 65.8559 66.1422 66.2720 66.5621 66.7616 67.0155 67.3718 67.4155 67.5646 67.7362 67.7863 67.8817 68.3698 68.6058 68.6604 69.0495 69.2848 69.5460 69.6587 69.8852 70.0560 70.1555 70.5789 70.8770 70.9555 71.1899 71.6397 71.7500 71.9587 72.2237 72.4323 72.7368 72.9582 73.1361 73.2448 73.4776 73.5819 73.7336 73.9084 74.1920 74.2789 74.5922 74.7686 74.7970 74.9577 75.0630 75.2562 75.5617 75.6793 75.7378 76.0657 76.2091 76.3157 76.4355 76.7070 76.9198 77.0278 77.1829 77.4757 77.6361 77.7464 77.9054 78.0565 78.1585 78.2314 78.3598 78.4195 78.5516 78.7486 78.7926 78.8841 79.0310 79.1481 79.2245 79.2923 79.5258 79.6500 79.7074 79.7776 79.8280 79.9372 80.0718 80.2627 80.3280 80.3934 80.4810 80.5413 80.7727 80.7892 81.0792 81.2898 81.3109 81.3800 81.5047 81.7545 81.8075 82.0002 82.0913 82.2687 82.3917 82.4110 82.5719 82.6423 82.8193 82.9530 83.0666 83.1634 83.2356 83.3207 83.3720 83.5112 83.7267 83.8703 83.9945 84.1233 84.3397 84.4092 84.4926 84.6181 84.6976 84.8706 84.9600 85.0228 85.1465 85.4030 85.4872 85.6486 85.7094 85.7698 85.8828 85.9946 86.0335 86.1657 86.2744 86.3396 86.3856 86.5536 86.5701 86.6561 86.6900 86.9516 87.0562 87.1775 87.2748 87.3397 87.4349 87.5584 87.7181 87.8349 88.0067 88.0587 88.2276 88.2791 88.2955 88.4747 88.5139 88.5933 88.8599 88.9077 88.9756 89.0604 89.1492 89.3563 89.4092 89.4798 89.5369 89.7364 89.7789 89.8526 89.9799 90.0735 90.2575 90.2767 90.4048 90.4533 90.5848 90.6744 90.7629 90.8122 90.9237 90.9833 91.0770 91.2677 91.5011 91.6387 91.7057 91.9330 92.1180 92.3259 92.3903 92.4165 92.4641 92.6310 92.8534 92.9422 93.0315 93.1056 93.1836 93.2804 93.3908 93.5130 93.6482 93.6884 93.8368 93.9277 94.0634 94.2572 94.3720 94.4589 94.5192 94.5958 94.7060 94.8098 94.9422 95.0228 95.1544 95.2183 95.4499 95.4742 95.5439 95.6464 95.8221 96.0166 96.0910 96.3222 96.3647 96.3923 96.6008 96.6835 96.8465 96.9498 97.0096 97.1776 97.1998 97.3636 97.4744 97.5721 97.8024 97.9980 98.0252 98.1721 98.2832 98.4237 98.5464 98.6843 98.7714 98.8435 98.9097 99.0038 99.1376 99.2114 99.3404 99.5406 99.6682 99.7240 99.8444 100.0076 100.1987 100.2795 100.4408 100.5954 100.6051 100.7885 100.9208 100.9904 101.0118 101.2345 101.3313 101.5191 101.7738 101.8500 101.9827 102.2580 102.3755 102.5064 102.6000 102.7143 102.8536 103.0015 103.1880 103.2882 103.5318 103.7101 103.8364 103.8977 104.0989 104.3863 104.4970 104.6272 104.6480 104.8157 104.8896 105.0088 105.1350 105.3207 105.4673 105.6203 105.6444 105.7496 105.9003 105.9448 106.0572 106.2761 106.3573 106.5504 106.7015 106.7587 106.9216 107.0386 107.1508 107.2886 107.3964 107.5899 107.7506 107.7870 108.0042 108.0749 108.1669 108.2620 108.6026 108.6821 108.7531 108.8902 109.0167 109.1233 109.2441 109.2539 109.3662 109.7022 109.7386 109.9919 110.0504 110.1993 110.3081 110.5353 110.5984 110.7868 110.9149 111.0827 111.1814 111.2843 111.5885 111.7358 111.8945 111.9928 112.0773 112.1118 112.3319 112.4151 112.5392 112.6982 112.7791 113.0113 113.1582 113.3993 113.4829 113.6460 113.8190 113.8917 114.0532 114.1226 114.2461 114.2986 114.4457 114.5484 114.7777 114.8658 115.0401 115.1183 115.1910 115.3407 115.4141 115.5046 115.5452 115.6390 116.0593 116.1468 116.1895 116.2955 116.3856 116.4641 116.6634 116.8370 116.9235 117.0616 117.1126 117.2587 117.3341 117.5005 117.5990 117.8263 117.9238 118.0920 118.1686 118.3941 118.5169 118.6043 118.7896 118.8264 118.8926 118.9395 119.1302 119.2880 119.3686 119.5252 119.6219 119.6833 119.8237 119.9335 120.0686 120.1228 120.1744 120.2640 120.3757 120.5282 120.5999 120.8091 120.9313 121.1072 121.2027 121.3097 121.3668 121.5222 121.6142 121.7552 121.9336 122.0495 122.2444 122.4534 122.6771 122.9844 123.1537 123.3667 123.4697 123.6900 123.7516 124.0428 124.2546 124.4501 124.6446 125.1073 125.3320 125.5458 125.8612 126.2416 126.3072 126.5897 126.7097 126.8431 126.9149 127.1156 127.2045 127.2624 127.4932 127.5191 127.7809 127.8502 128.2210 128.3006 128.5426 128.8112 128.9433 129.0216 129.4445 129.5231 129.6349 129.9472 130.3049 130.4945 130.6571 130.6979 130.7578 131.2075 131.2557 131.3142 131.7007 131.8248 131.9237 132.0106 132.1349 132.3245 132.6727 132.7932 132.9605 133.0125 133.0641 133.2292 133.4044 133.9492 134.1924 134.2879 134.5023 134.7182 135.2347 135.2920 135.4801 135.5640 135.8240 135.8671 136.0805 136.4508 136.8621 137.0672 137.2232 137.3737 137.5664 137.7442 138.1009 138.2770 138.3674 138.5630 138.7067 138.9673 138.9970 139.1993 139.6947 139.7760 140.0328 140.2272 140.3274 140.5716 140.6127 141.4048 141.4853 141.8384 142.0451 142.2215 142.4399 142.8958 143.2815 143.5025 143.5592 143.8438 143.9911 144.1232 144.2568 144.3385 144.4328 144.5873 144.8534 144.9666 145.0378 145.4741 146.0180 146.1226 146.4115 147.0636 147.4476 147.6268 147.7332 147.9731 148.0119 148.3672 148.4647 148.6700 148.7704 148.9647 149.0583 149.2523 149.3362 149.5608 149.5924 149.7538 149.9547 150.2877 150.4300 150.6442 150.7550 150.8736 150.9863 151.1751 151.2079 151.3916 151.9004 152.1180 152.5371 152.9472 153.0501 153.2617 153.3103 153.5535 153.9778 154.5196 154.7999 155.1775 155.4651 155.8924 155.9550 156.1250 156.4004 156.5618 156.7234 156.8700 157.0713 157.3564 157.4597 157.6027 157.6932 157.8319 158.1990 158.4745 159.2662 159.3160 159.5026 159.9841 160.1778 160.7374 160.9741 161.4190 161.8344 162.5091 163.8996 164.4148 164.4676 164.5979 168.1456 169.0378 169.7484 170.0786 171.8536 172.9765 174.4426 174.8219 177.2026 180.7851 181.1697 182.5016 186.1254 186.7038 187.8768 188.2571 188.8783 188.9938 189.4969 190.3363 190.6464 191.2081 192.8258 192.8899 193.9483 195.5646 196.1850 200.0686 201.5782 202.6191 206.1575 206.7352 207.8891 212.5585 229.9192 235.9507 241.1682 248.0614 249.0115 338.0221 618.5386 621.5068 624.9592 629.7708 630.3212 632.1862 632.7935 633.0698 634.5193 634.9894 635.0833 635.7865 637.1505 637.3538 637.7978 638.4146 639.4119 640.3852 643.6220 644.1221 645.9150 646.9547 654.3554 656.0955 658.4322 1213.6518 1215.4385 1563.2778 -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 0.494911 -0.217167 -0.330673 -0.328381 -0.280300 -0.151316 -0.189578 -0.450156 -0.446758 -0.088461 -0.141376 -0.081248 -0.015592 -0.222137 -0.317373 0.334767 -0.165204 -0.176627 0.187119 -0.197430 0.216047 0.036277 -0.272154 0.321379 -0.264876 -0.181462 -0.113266 -0.171979 -0.198241 0.100252 0.083557 0.093301 0.086524 0.114260 0.113355 0.100520 0.101984 0.101369 0.103203 0.082424 0.099356 0.142918 0.135567 0.137584 0.148049 0.129689 0.142294 0.146865 0.092179 0.111038 0.082441 0.102756 0.095660 0.141608 0.147554 0.154846 0.163983 0.156121 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 13.5051 9.2172 8.3307 8.3284 6.2803 6.1513 6.1896 6.4502 6.4468 6.0885 6.1414 6.0812 6.0156 6.2221 6.3174 5.6652 6.1652 6.1766 5.8129 6.1974 5.7840 5.9637 6.2722 5.6786 6.2649 6.1815 6.1133 6.1720 6.1982 0.8997 0.9164 0.9067 0.9135 0.8857 0.8866 0.8995 0.8980 0.8986 0.8968 0.9176 0.9006 0.8571 0.8644 0.8624 0.8520 0.8703 0.8577 0.8531 0.9078 0.8890 0.9176 0.8972 0.9043 0.8584 0.8524 0.8452 0.8360 0.8439 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 0.4949 -0.2172 -0.3307 -0.3284 -0.2803 -0.1513 -0.1896 -0.4502 -0.4468 -0.0885 -0.1414 -0.0812 -0.0156 -0.2221 -0.3174 0.3348 -0.1652 -0.1766 0.1871 -0.1974 0.2160 0.0363 -0.2722 0.3214 -0.2649 -0.1815 -0.1133 -0.1720 -0.1982 0.1003 0.0836 0.0933 0.0865 0.1143 0.1134 0.1005 0.1020 0.1014 0.1032 0.0824 0.0994 0.1429 0.1356 0.1376 0.1480 0.1297 0.1423 0.1469 0.0922 0.1110 0.0824 0.1028 0.0957 0.1416 0.1476 0.1548 0.1640 0.1561 4.1210 1.0703 2.0627 2.0843 3.8395 3.9001 3.7000 3.9164 3.9023 3.8128 3.8512 3.7991 3.7051 3.9135 3.9824 3.7494 3.8143 3.8845 3.6803 3.9056 4.0367 3.8446 3.9135 3.6307 3.9621 3.8606 3.8605 3.8614 3.8546 1.0071 1.0148 1.0014 1.0005 1.0084 1.0066 1.0044 1.0085 1.0098 1.0095 1.0154 1.0083 0.9885 0.9955 1.0041 1.0037 1.0144 1.0001 0.9993 0.9985 0.9922 1.0051 1.0120 1.0011 1.0105 1.0043 0.9893 0.9835 0.9902 4.1210 1.0703 2.0627 2.0843 3.8395 3.9001 3.7000 3.9164 3.9023 3.8128 3.8512 3.7991 3.7051 3.9135 3.9824 3.7494 3.8143 3.8845 3.6803 3.9056 4.0367 3.8446 3.9135 3.6307 3.9621 3.8606 3.8605 3.8614 3.8546 1.0071 1.0148 1.0014 1.0005 1.0084 1.0066 1.0044 1.0085 1.0098 1.0095 1.0154 1.0083 0.9885 0.9955 1.0041 1.0037 1.0144 1.0001 0.9993 0.9985 0.9922 1.0051 1.0120 1.0011 1.0105 1.0043 0.9893 0.9835 0.9902 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.9548 1.0126 0.9742 0.9607 1.0767 1.0881 0.8949 0.9493 0.9715 0.9171 0.9744 0.9798 0.9102 1.0047 1.0105 1.3064 1.2790 0.9751 0.9722 0.9742 0.9749 0.9770 0.9748 0.8871 1.0172 1.0044 1.4542 0.9811 1.4450 1.0077 1.3675 1.3632 1.3185 0.9773 1.3259 0.9918 1.3460 0.9605 1.4206 0.9852 1.3902 1.4160 0.9865 0.9412 0.9955 0.9818 0.9902 0.9864 0.9924 1.3409 1.3232 1.4319 1.0000 1.4052 0.9800 1.3799 0.9925 1.3822 0.9825 0.9971 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 -0.034749553 -1510.101767884147 -16.39136 15.93412 -0.45724 22.54056 -21.78076 0.75980 19.02208 -17.09677 1.92530 2.11971 5.38787