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:-2.6846,1.39,.3883;.8022,-5.4101,.6807;2.4928,4.3823,1.3485;1.6862,-3.3191,-.7493;-2.2109,-.0844,-.6915;-3.3606,-1.0167,-1.0621;-1.1058,2.3692,.6886;-3.378,.7925,2.0318;-3.9406,2.4682,-.5107;-2.9479,-2.1808,-1.9761;-.3439,2.8234,-.389;-.61,2.6428,1.9666;-1.9451,-3.0898,-1.327;.8519,3.5087,-.222;.5798,3.3249,2.1597;1.3276,3.7583,1.0643;-.5845,-2.8012,-1.3925;-2.3549,-4.1978,-.59;.3416,-3.5704,-.706;-1.4348,-4.9949,.0757;-.0975,-4.6645,.0234;3.2882,4.9115,.292;2.7575,6.2249,-.2421;2.1299,-2.0416,-.5023;1.5015,-1.1931,.4014;3.2785,-1.6391,-1.1698;2.0268,.0733,.6194;3.7985,-.3746,-.932;3.1733,.4902,-.0436;-1.7287,.2894,-1.6023;-1.4326,-.6344,-.1524;-4.1456,-.4531,-1.5743;-3.8217,-1.4244,-.1572;-3.6159,1.6195,2.7034;-4.2986,.2248,1.8822;-2.674,.1377,2.5493;-4.2136,3.345,.0794;-3.5439,2.8254,-1.4634;-4.8602,1.9199,-.7257;-3.8383,-2.7529,-2.2458;-2.5374,-1.7741,-2.9038;-.6785,2.6427,-1.4051;-1.1569,2.3159,2.8435;1.3938,3.8302,-1.1008;.9421,3.5183,3.1623;-.2419,-1.9539,-1.975;-3.4071,-4.4471,-.5336;-1.754,-5.8598,.6428;3.4085,4.1757,-.5083;4.2731,5.0619,.7333;3.4482,6.6131,-.9911;1.7812,6.1234,-.716;2.6771,6.9669,.5526;.613,-1.5059,.935;3.7608,-2.3112,-1.8683;1.5343,.7347,1.3211;4.6944,-.0645,-1.4538;3.5758,1.4791,.1345; 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 2904.0759505007 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 6.292e-06 Time for diagonalization 0.386 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.417 sec Total time needed 0.812 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:-2.6846,1.39,.3883;.8022,-5.4101,.6807;2.4928,4.3823,1.3485;1.6862,-3.3191,-.7493;-2.2109,-.0844,-.6915;-3.3606,-1.0167,-1.0621;-1.1058,2.3692,.6886;-3.378,.7925,2.0318;-3.9406,2.4682,-.5107;-2.9479,-2.1808,-1.9761;-.3439,2.8234,-.389;-.61,2.6428,1.9666;-1.9451,-3.0898,-1.327;.8519,3.5087,-.222;.5798,3.3249,2.1597;1.3276,3.7583,1.0643;-.5845,-2.8012,-1.3925;-2.3549,-4.1978,-.59;.3416,-3.5704,-.706;-1.4348,-4.9949,.0757;-.0975,-4.6645,.0234;3.2882,4.9115,.292;2.7575,6.2249,-.2421;2.1299,-2.0416,-.5023;1.5015,-1.1931,.4014;3.2785,-1.6391,-1.1698;2.0268,.0733,.6194;3.7985,-.3746,-.932;3.1733,.4902,-.0436;-1.7287,.2894,-1.6023;-1.4326,-.6344,-.1524;-4.1456,-.4531,-1.5743;-3.8217,-1.4244,-.1572;-3.6159,1.6195,2.7034;-4.2986,.2248,1.8822;-2.674,.1377,2.5493;-4.2136,3.345,.0794;-3.5439,2.8254,-1.4634;-4.8602,1.9199,-.7257;-3.8383,-2.7529,-2.2458;-2.5374,-1.7741,-2.9038;-.6785,2.6427,-1.4051;-1.1569,2.3159,2.8435;1.3938,3.8302,-1.1008;.9421,3.5183,3.1623;-.2419,-1.9539,-1.975;-3.4071,-4.4471,-.5336;-1.754,-5.8598,.6428;3.4085,4.1757,-.5083;4.2731,5.0619,.7333;3.4482,6.6131,-.9911;1.7812,6.1234,-.716;2.6771,6.9669,.5526;.613,-1.5059,.935;3.7608,-2.3112,-1.8683;1.5343,.7347,1.3211;4.6944,-.0645,-1.4538;3.5758,1.4791,.1345; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-2.6846,1.39,.3883;.8022,-5.4101,.6807;2.4928,4.3823,1.3485;1.6862,-3.3191,-.7493;-2.2109,-.0844,-.6915;-3.3606,-1.0167,-1.0621;-1.1058,2.3692,.6886;-3.378,.7925,2.0318;-3.9406,2.4682,-.5107;-2.9479,-2.1808,-1.9761;-.3439,2.8234,-.389;-.61,2.6428,1.9666;-1.9451,-3.0898,-1.327;.8519,3.5087,-.222;.5798,3.3249,2.1597;1.3276,3.7583,1.0643;-.5845,-2.8012,-1.3925;-2.3549,-4.1978,-.59;.3416,-3.5704,-.706;-1.4348,-4.9949,.0757;-.0975,-4.6645,.0234;3.2882,4.9115,.292;2.7575,6.2249,-.2421;2.1299,-2.0416,-.5023;1.5015,-1.1931,.4014;3.2785,-1.6391,-1.1698;2.0268,.0733,.6194;3.7985,-.3746,-.932;3.1733,.4902,-.0436;-1.7287,.2894,-1.6023;-1.4326,-.6344,-.1524;-4.1456,-.4531,-1.5743;-3.8217,-1.4244,-.1572;-3.6159,1.6195,2.7034;-4.2986,.2248,1.8822;-2.674,.1377,2.5493;-4.2136,3.345,.0794;-3.5439,2.8254,-1.4634;-4.8602,1.9199,-.7257;-3.8383,-2.7529,-2.2458;-2.5374,-1.7741,-2.9038;-.6785,2.6427,-1.4051;-1.1569,2.3159,2.8435;1.3938,3.8302,-1.1008;.9421,3.5183,3.1623;-.2419,-1.9539,-1.975;-3.4071,-4.4471,-.5336;-1.754,-5.8598,.6428;3.4085,4.1757,-.5083;4.2731,5.0619,.7333;3.4482,6.6131,-.9911;1.7812,6.1234,-.716;2.6771,6.9669,.5526;.613,-1.5059,.935;3.7608,-2.3112,-1.8683;1.5343,.7347,1.3211;4.6944,-.0645,-1.4538;3.5758,1.4791,.1345; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Si F O C H 2.4700 1.7300 1.5200 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3401 GEPOL Volume 2919.7553 GEPOL Surface-area 1640.1783 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -1510.05281900 2904.07595050 -4414.12876950 -7838.31230032 3424.18353082 -0.02822962 -3013.96119572 1503.90837672 2.00408565 108.999874924452 108.999874924452 217.999749848904 -135.232869400880 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 -1800.5610 -674.9138 -524.7066 -524.1728 -281.9980 -281.5893 -281.5781 -281.4151 -280.8923 -279.9578 -279.8858 -279.8047 -279.7960 -279.7918 -279.7522 -279.7231 -279.7201 -279.7141 -279.6994 -279.6058 -279.5549 -279.5058 -279.3781 -279.3575 -279.1543 -279.1232 -278.7340 -278.6728 -278.6530 -145.6243 -100.6916 -100.6749 -100.6706 -36.7992 -32.9678 -32.3107 -27.0476 -26.6099 -26.4273 -24.9329 -24.1814 -24.1414 -23.6472 -23.5055 -23.4563 -23.0845 -22.8785 -22.0425 -21.3755 -21.3408 -20.6277 -20.4899 -19.8806 -19.6189 -19.4952 -19.2572 -18.6570 -18.3913 -17.9756 -17.4635 -17.3059 -16.8584 -16.3732 -16.0976 -16.0893 -15.9503 -15.6389 -15.4579 -15.1256 -14.9499 -14.7928 -14.7360 -14.6463 -14.5597 -14.3062 -14.2456 -14.2286 -14.0819 -13.9333 -13.6797 -13.6200 -13.4437 -13.3384 -13.2230 -13.1724 -13.0352 -12.9273 -12.8287 -12.7368 -12.6006 -12.4544 -12.3516 -12.1945 -12.0333 -11.8052 -11.6268 -11.5748 -11.3502 -11.2255 -11.1913 -10.4434 -10.3394 -9.9484 -9.5638 -9.4769 -9.2607 -8.9190 -8.4617 -8.2975 1.3566 1.5543 1.6634 1.8257 1.9386 2.1632 3.0052 3.5387 3.5654 3.7488 3.8274 3.9442 4.0782 4.3221 4.3957 4.4860 4.5447 4.6813 4.7784 4.8697 5.0285 5.0752 5.1005 5.2218 5.4028 5.4862 5.5853 5.6305 5.7016 5.7755 5.9066 6.0073 6.0744 6.0921 6.1829 6.2293 6.3060 6.4132 6.4702 6.5388 6.6173 6.7352 6.7526 6.7840 6.8826 7.0939 7.1769 7.2369 7.3737 7.5595 7.5667 7.6441 7.7974 7.8983 7.9514 8.0560 8.1431 8.2470 8.3447 8.4601 8.5549 8.6521 8.7753 8.8120 8.9385 9.0180 9.1012 9.1669 9.2609 9.4204 9.5232 9.6677 9.7854 9.8436 9.8531 10.1110 10.1523 10.2303 10.3267 10.4260 10.5242 10.5918 10.7179 10.7480 10.8593 10.9084 11.1096 11.1677 11.2584 11.3682 11.4140 11.6165 11.6581 11.7551 11.7973 11.8758 11.9712 12.0080 12.1843 12.2950 12.3511 12.3875 12.4570 12.5514 12.6929 12.7490 12.8643 12.9986 13.0779 13.1305 13.1978 13.2400 13.3091 13.4261 13.5231 13.5550 13.5790 13.7106 13.7961 13.8471 13.9632 14.0580 14.0986 14.1398 14.3384 14.3697 14.4061 14.4551 14.5190 14.6677 14.7076 14.8208 14.8596 14.9291 15.0015 15.1534 15.1633 15.2401 15.3259 15.3910 15.5706 15.6571 15.6742 15.7918 15.8619 15.9480 16.0197 16.1274 16.1623 16.2551 16.3904 16.4789 16.5121 16.6113 16.7509 16.8710 16.8827 16.9919 17.0548 17.1723 17.3555 17.4378 17.4512 17.6286 17.7658 17.8335 17.9510 18.0706 18.2027 18.3364 18.4680 18.5984 18.6603 18.8576 19.0074 19.2035 19.2573 19.3840 19.4319 19.5598 19.7003 19.8968 19.9258 19.9905 20.0424 20.0673 20.2746 20.4321 20.5053 20.6311 20.6847 20.8132 20.9280 21.0240 21.0639 21.2200 21.3400 21.4406 21.4984 21.6648 21.7591 21.8319 21.9805 22.1705 22.2791 22.3298 22.4305 22.5745 22.6128 22.8049 22.9917 23.2016 23.2431 23.3987 23.4854 23.6297 23.6868 23.7864 23.9054 23.9362 24.0710 24.1157 24.2962 24.3464 24.5676 24.6705 24.7540 24.8848 25.0174 25.0867 25.1984 25.3367 25.4713 25.5138 25.6962 25.8089 25.9178 25.9565 26.2568 26.3371 26.3472 26.6044 26.7043 26.7731 26.8339 26.9437 27.0396 27.1226 27.3830 27.5094 27.5931 27.6711 27.7602 28.0116 28.0428 28.1628 28.2609 28.3704 28.6045 28.6726 28.7709 28.8544 28.9947 29.1691 29.2821 29.3821 29.5187 29.5696 29.7299 29.7457 29.8001 29.9165 30.0803 30.3531 30.4055 30.4654 30.6795 30.7343 30.7805 30.9468 31.0408 31.1175 31.3923 31.5624 31.6355 31.7400 31.8011 31.8406 32.0673 32.1475 32.3259 32.3913 32.4600 32.5580 32.6089 32.7413 32.8125 32.9996 33.1045 33.1301 33.2520 33.4050 33.5211 33.6638 33.8525 33.9609 34.1231 34.1831 34.2365 34.2874 34.5213 34.7443 34.7882 34.9579 35.0961 35.1139 35.2690 35.3655 35.5452 35.6833 35.7884 35.9103 35.9152 36.1433 36.2017 36.3459 36.4393 36.5592 36.6490 36.7330 36.8446 36.9467 36.9876 37.1948 37.2597 37.3453 37.5355 37.6856 37.7838 37.9131 38.0550 38.1441 38.2351 38.3391 38.3477 38.4834 38.6822 38.8294 38.9382 38.9727 39.0800 39.1544 39.2459 39.3577 39.5047 39.5442 39.6866 39.8018 39.8710 39.9614 40.1179 40.2327 40.3676 40.4346 40.4897 40.7284 40.8186 40.8802 41.0214 41.2048 41.2838 41.3556 41.5551 41.6675 41.7192 41.8159 41.8987 42.1569 42.2165 42.3213 42.5007 42.5273 42.5956 42.7049 42.7736 42.9773 43.0473 43.1908 43.2920 43.4493 43.5206 43.6570 43.6977 43.7811 43.9514 44.1295 44.2758 44.3037 44.4282 44.6136 44.7726 44.8093 44.9768 45.0478 45.1271 45.2630 45.3310 45.3357 45.4259 45.6638 45.7810 45.8128 45.9094 46.0177 46.1609 46.3351 46.4184 46.4925 46.7730 46.9044 46.9282 47.0967 47.1948 47.3158 47.4811 47.5849 47.7061 47.8634 47.9483 48.0564 48.1311 48.2601 48.4384 48.5050 48.6333 48.7496 48.9341 49.0842 49.1142 49.3527 49.4389 49.5718 49.6481 49.9114 50.0498 50.3313 50.5377 50.7046 50.8147 51.0087 51.3426 51.4050 51.4534 51.8299 51.8963 52.2486 52.4474 52.5306 52.6567 52.9211 53.0459 53.1037 53.2256 53.3064 53.5767 53.7133 53.9019 54.1074 54.2751 54.4791 54.6869 55.3331 55.4524 55.4915 55.6697 55.9138 56.0723 56.2058 56.5030 56.7448 56.8268 57.0611 57.1336 57.2702 57.4284 57.5582 57.7697 57.9810 58.0791 58.3855 58.4621 58.7988 58.9126 59.0655 59.3872 59.5699 59.6618 59.9855 60.2045 60.3008 60.6117 60.9658 61.1422 61.2824 61.6747 61.7464 61.8361 62.2045 62.4607 62.7736 63.0183 63.0976 63.2744 63.5019 63.7006 63.8913 63.9871 64.1925 64.6213 64.7403 64.8626 64.9515 65.2033 65.4911 65.6801 65.8800 66.1181 66.2144 66.3536 66.7166 67.1101 67.3922 67.4443 67.5737 67.6457 67.7278 68.1075 68.3655 68.5577 68.6926 68.7705 68.9980 69.2831 69.8041 70.0716 70.1309 70.4018 70.4759 70.7545 70.9071 71.1606 71.4002 71.6871 72.3005 72.4443 72.6666 72.6952 72.8562 73.0712 73.4915 73.5955 73.8422 73.9427 74.1156 74.5618 74.5966 74.7709 74.8814 74.9722 75.1223 75.2577 75.5782 75.6126 75.8757 76.0731 76.1880 76.2511 76.5731 76.6903 76.7620 76.9262 77.1361 77.3119 77.3891 77.6361 77.7605 77.9081 78.1193 78.1676 78.2105 78.2901 78.4294 78.5092 78.7579 78.8196 78.9161 79.0637 79.1660 79.3111 79.4930 79.5947 79.6584 79.7491 79.8541 79.9009 80.0256 80.1664 80.2180 80.2771 80.4376 80.5194 80.5975 80.6803 80.9417 81.0152 81.0469 81.1319 81.3332 81.4653 81.7539 81.9021 82.0564 82.1647 82.3214 82.4448 82.5582 82.5730 82.6310 82.7065 82.9114 83.1875 83.2299 83.3821 83.5619 83.6548 83.7747 83.8038 83.9009 83.9968 84.0967 84.3183 84.4635 84.5423 84.7489 84.7965 84.9670 85.0381 85.0702 85.2304 85.3416 85.4796 85.5042 85.5856 85.6804 85.8072 85.8458 85.9800 86.0237 86.1504 86.1761 86.2793 86.3476 86.4554 86.5949 86.6544 86.8849 87.0908 87.1874 87.2702 87.3818 87.4398 87.5441 87.7228 87.7966 87.8746 87.9920 88.0707 88.2481 88.3373 88.3816 88.5358 88.7258 88.7392 88.8856 88.9958 89.0732 89.1816 89.3455 89.3811 89.4720 89.5654 89.6639 89.7127 89.9028 89.9906 90.0284 90.1624 90.2416 90.3708 90.4743 90.5771 90.6778 90.7565 90.8557 90.9501 91.1040 91.2637 91.2750 91.4258 91.6474 91.7428 91.7966 92.0514 92.2138 92.2523 92.3937 92.4673 92.6098 92.6217 92.8627 92.9606 93.0366 93.1874 93.2393 93.3390 93.4963 93.6284 93.7386 93.9002 93.9881 94.0191 94.1537 94.2294 94.2953 94.4047 94.5872 94.7246 94.7429 94.8714 95.0437 95.0984 95.2166 95.4194 95.5730 95.6285 95.7115 95.8002 95.9269 96.0438 96.1551 96.3364 96.6806 96.7428 96.8245 96.9013 96.9938 97.1657 97.2767 97.3891 97.4381 97.5737 97.6225 97.6793 97.9052 98.0520 98.1174 98.2458 98.3649 98.5876 98.6421 98.7124 98.8366 98.9069 99.0213 99.1998 99.2494 99.3281 99.4108 99.5861 99.6876 99.8394 99.9364 99.9916 100.1163 100.4075 100.4277 100.5691 100.7661 100.8480 101.1038 101.2354 101.3402 101.3616 101.4618 101.6536 101.8000 101.8748 101.9688 102.1701 102.4138 102.8097 102.9624 103.0108 103.1778 103.3263 103.4204 103.7439 103.8144 103.9740 104.0661 104.1138 104.3863 104.5175 104.6814 104.8304 104.9974 105.1470 105.2307 105.2850 105.5303 105.5409 105.6684 105.7466 105.8560 105.9290 106.1656 106.2668 106.3525 106.4914 106.5484 106.7979 106.8924 106.9975 107.2732 107.3447 107.4824 107.5966 107.6296 107.8564 107.9692 108.0653 108.1796 108.5440 108.6387 108.7410 108.8070 108.9012 109.0568 109.1863 109.2865 109.4394 109.5373 109.6602 109.7477 109.9569 110.0734 110.1349 110.1487 110.3610 110.4626 110.6183 110.9108 111.0430 111.2016 111.2739 111.3578 111.5368 111.6189 111.8258 111.9654 112.0033 112.1899 112.2599 112.5959 112.6769 112.7871 112.9571 113.0562 113.2924 113.3155 113.3452 113.5839 113.8408 113.8994 114.0004 114.0262 114.1295 114.2685 114.4951 114.6802 114.7668 114.8854 115.0098 115.1354 115.2141 115.3734 115.4923 115.6173 115.6972 115.9726 116.0012 116.1182 116.2478 116.2653 116.3825 116.4857 116.7283 116.8007 117.0062 117.1167 117.3380 117.4495 117.7111 117.7710 117.9057 117.9416 118.0243 118.1677 118.3126 118.4449 118.5135 118.5464 118.6567 118.7940 118.9276 119.0207 119.1344 119.2331 119.2974 119.5242 119.6141 119.6979 119.7170 119.7652 119.8365 120.0868 120.1287 120.2879 120.4357 120.4826 120.5249 120.7820 120.9599 121.0516 121.3671 121.4161 121.6373 121.7614 121.9655 122.1111 122.2762 122.4412 122.4900 122.7758 122.9355 123.0108 123.1138 123.3615 123.6145 123.7546 123.9823 124.4431 124.7214 125.0089 125.3736 125.7179 125.8750 126.0660 126.2448 126.4551 126.5453 126.6409 126.8573 126.8846 127.0776 127.1865 127.3662 127.6480 127.7267 127.8809 127.9861 128.0855 128.1174 128.4108 128.5250 128.9562 128.9981 129.1890 129.4389 129.7381 129.7916 129.8973 130.2486 130.4490 130.7844 130.8735 131.0848 131.2043 131.3179 131.6289 131.6697 131.7523 131.8746 131.9399 132.2498 132.3603 132.6915 132.7941 132.8652 133.1583 133.3934 133.6193 133.6690 134.1321 134.3991 134.6458 134.7484 135.0244 135.1839 135.6049 135.7518 135.8764 136.1656 136.4076 136.4991 136.8079 136.8956 137.2336 137.4409 137.5902 137.6665 138.1172 138.2847 138.3287 138.5862 138.9063 139.0597 139.1468 139.3861 139.4651 139.8645 140.0805 140.3612 140.3826 140.4552 140.7400 141.3409 141.4921 141.5398 141.8304 142.1980 142.2587 142.8501 143.1990 143.2863 143.5316 143.7295 143.7973 143.9628 144.0790 144.1372 144.3458 144.7473 144.8886 145.0236 145.3498 145.5386 146.1264 146.5701 147.0344 147.2235 147.3167 147.4901 147.7193 147.9868 148.0644 148.2201 148.4402 148.6342 148.7118 148.7447 148.9174 149.1032 149.1617 149.3424 149.5759 149.8454 149.9180 149.9491 150.2749 150.5540 150.7988 150.8191 150.9579 151.0905 151.2926 151.7976 151.9056 152.1336 152.1990 152.5431 153.0539 153.3651 153.5666 153.9413 154.2146 154.3641 155.0636 155.2712 155.4157 155.7701 155.8771 156.0967 156.3912 156.6104 156.8699 157.0077 157.0742 157.1421 157.2321 157.4202 157.4901 157.8941 157.9988 158.6477 158.8502 159.0487 159.1386 159.3696 159.9577 160.8269 161.2400 161.6064 161.9055 162.3017 162.8894 163.9796 164.0743 164.5187 167.6800 168.6848 169.3896 170.1890 171.6322 172.8225 174.1363 174.1488 176.5140 180.0978 180.8475 182.2540 186.0790 186.1286 186.7758 187.7997 188.7366 189.0338 189.4322 190.1513 190.2915 191.2156 192.7344 192.7875 193.7184 195.7389 196.0624 200.0164 201.5879 202.2873 205.6186 206.3799 208.0309 212.5056 229.8651 235.8625 241.0936 247.9439 248.8239 339.3788 617.8400 619.2040 622.3052 629.7559 630.1116 631.4268 632.2775 632.3106 634.3467 634.5171 635.0020 635.5324 637.1337 637.4123 637.7051 639.3037 639.4000 640.3195 642.8998 643.4289 645.8526 646.5157 653.9250 655.6164 658.1761 1212.8889 1214.8101 1563.1347 -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 0.512052 -0.220377 -0.352593 -0.346472 -0.228642 -0.145234 -0.179211 -0.449687 -0.428639 -0.096070 -0.157935 -0.094720 0.063104 -0.262364 -0.283719 0.338642 -0.255515 -0.216467 0.223214 -0.167732 0.180387 0.061498 -0.266821 0.305268 -0.211824 -0.249562 -0.177222 -0.127430 -0.194687 0.090755 0.057215 0.082045 0.081468 0.106871 0.108068 0.108593 0.106293 0.104166 0.102683 0.090078 0.089110 0.133883 0.141354 0.143765 0.132573 0.157225 0.144687 0.151373 0.079869 0.110588 0.095020 0.091624 0.088805 0.164145 0.148067 0.183609 0.159229 0.175597 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 13.4879 9.2204 8.3526 8.3465 6.2286 6.1452 6.1792 6.4497 6.4286 6.0961 6.1579 6.0947 5.9369 6.2624 6.2837 5.6614 6.2555 6.2165 5.7768 6.1677 5.8196 5.9385 6.2668 5.6947 6.2118 6.2496 6.1772 6.1274 6.1947 0.9092 0.9428 0.9180 0.9185 0.8931 0.8919 0.8914 0.8937 0.8958 0.8973 0.9099 0.9109 0.8661 0.8586 0.8562 0.8674 0.8428 0.8553 0.8486 0.9201 0.8894 0.9050 0.9084 0.9112 0.8359 0.8519 0.8164 0.8408 0.8244 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 0.5121 -0.2204 -0.3526 -0.3465 -0.2286 -0.1452 -0.1792 -0.4497 -0.4286 -0.0961 -0.1579 -0.0947 0.0631 -0.2624 -0.2837 0.3386 -0.2555 -0.2165 0.2232 -0.1677 0.1804 0.0615 -0.2668 0.3053 -0.2118 -0.2496 -0.1772 -0.1274 -0.1947 0.0908 0.0572 0.0820 0.0815 0.1069 0.1081 0.1086 0.1063 0.1042 0.1027 0.0901 0.0891 0.1339 0.1414 0.1438 0.1326 0.1572 0.1447 0.1514 0.0799 0.1106 0.0950 0.0916 0.0888 0.1641 0.1481 0.1836 0.1592 0.1756 4.1009 1.0647 2.0351 2.0679 3.8194 3.9306 3.7486 3.9247 3.8935 3.8553 3.8651 3.8225 3.6006 3.8539 4.0346 3.6663 3.9138 3.9120 3.6543 3.8697 4.0781 3.8329 3.9311 3.6692 3.8984 4.0066 3.8490 3.9189 3.8804 1.0146 1.0301 1.0088 1.0031 1.0081 1.0090 1.0057 1.0090 1.0073 1.0076 1.0082 1.0090 0.9971 0.9892 1.0046 1.0158 0.9981 1.0014 0.9968 0.9972 0.9919 1.0079 1.0016 1.0054 0.9947 1.0065 0.9744 0.9897 0.9779 4.1009 1.0647 2.0351 2.0679 3.8194 3.9306 3.7486 3.9247 3.8935 3.8553 3.8651 3.8225 3.6006 3.8539 4.0346 3.6663 3.9138 3.9120 3.6543 3.8697 4.0781 3.8329 3.9311 3.6692 3.8984 4.0066 3.8490 3.9189 3.8804 1.0146 1.0301 1.0088 1.0031 1.0081 1.0090 1.0057 1.0090 1.0073 1.0076 1.0082 1.0090 0.9971 0.9892 1.0046 1.0158 0.9981 1.0014 0.9968 0.9972 0.9919 1.0079 1.0016 1.0054 0.9947 1.0065 0.9744 0.9897 0.9779 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.9501 1.0177 0.9708 0.9542 1.0666 1.0518 0.8792 0.9369 0.9518 0.9301 0.9815 0.9699 0.9344 1.0020 1.0078 1.3462 1.2889 0.9753 0.9732 0.9730 0.9737 0.9754 0.9742 0.8873 1.0104 1.0205 1.4171 0.9805 1.4826 0.9919 1.3361 1.3682 1.2690 0.9967 1.3359 1.0042 1.3622 0.9700 1.4077 0.9855 1.3923 1.4303 0.9841 0.9549 0.9910 0.9790 0.9860 0.9891 0.9895 1.3360 1.3816 1.4073 0.9706 1.4410 0.9882 1.3874 0.9607 1.4246 0.9841 0.9698 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 -0.032561960 -1510.085380959841 -15.37145 14.53866 -0.83279 33.52765 -32.16685 1.36080 -4.26506 3.21656 -1.04850 1.90910 4.85255