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:-3.1088,1.3462,.748;1.7943,-4.3857,.042;2.0273,2.8112,-2.1033;1.9885,-1.7144,-.2585;-3.2306,-.5279,1.0244;-3.7636,-1.3633,-.1408;-1.514,1.8473,-.119;-3.1348,2.1674,2.4429;-4.5621,1.926,-.298;-2.8182,-1.4823,-1.3404;-1.4443,2.0347,-1.5046;-.3316,2.0254,.5965;-1.5678,-2.2496,-1.0136;-.2602,2.3562,-2.1419;.8724,2.3502,-.019;.9141,2.5084,-1.4019;-.3527,-1.6064,-.8067;-1.6177,-3.6368,-.8721;.7777,-2.3275,-.4491;-.4926,-4.3679,-.5274;.696,-3.701,-.3065;3.2679,2.9088,-1.4116;4.3529,3.1661,-2.4268;2.1743,-.963,.8734;3.353,-.2278,.9267;1.2648,-.9154,1.9215;3.6092,.5742,2.0272;1.5358,-.1028,3.0157;2.6993,.6494,3.075;-2.2624,-.9113,1.3664;-3.9048,-.6582,1.8786;-4.7098,-.9425,-.4914;-4.0015,-2.3728,.2095;-3.0283,3.2513,2.3703;-4.0729,1.963,2.9632;-2.3279,1.8011,3.0813;-4.549,3.01,-.4282;-4.5569,1.479,-1.2943;-5.5148,1.6652,.1676;-3.3488,-1.9909,-2.1492;-2.5584,-.4911,-1.7185;-2.3348,1.9262,-2.1136;-.326,1.9106,1.6747;-.2351,2.4923,-3.2164;1.7558,2.4755,.5928;-.2763,-.53,-.9169;-2.5522,-4.1584,-1.0393;-.5368,-5.4445,-.4246;3.4689,1.9804,-.8681;3.2289,3.72,-.6774;4.1886,4.0997,-2.9655;5.3118,3.2422,-1.9146;4.4252,2.3542,-3.1506;4.0591,-.2792,.1074;.3468,-1.4882,1.9004;4.5246,1.1503,2.0598;.8199,-.0612,3.8263;2.8982,1.2836,3.9284; 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 3022.7822453887 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 5.297e-06 Time for diagonalization 0.388 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.438 sec Total time needed 0.834 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:-3.1088,1.3462,.748;1.7943,-4.3857,.042;2.0273,2.8112,-2.1033;1.9885,-1.7144,-.2585;-3.2306,-.5279,1.0244;-3.7636,-1.3633,-.1408;-1.514,1.8473,-.119;-3.1348,2.1674,2.4429;-4.5621,1.926,-.298;-2.8182,-1.4823,-1.3404;-1.4443,2.0347,-1.5046;-.3316,2.0254,.5965;-1.5678,-2.2496,-1.0136;-.2602,2.3562,-2.1419;.8724,2.3502,-.019;.9141,2.5084,-1.4019;-.3527,-1.6064,-.8067;-1.6177,-3.6368,-.8721;.7777,-2.3275,-.4491;-.4926,-4.3679,-.5274;.696,-3.701,-.3065;3.2679,2.9088,-1.4116;4.3529,3.1661,-2.4268;2.1743,-.963,.8734;3.353,-.2278,.9267;1.2648,-.9154,1.9215;3.6092,.5742,2.0272;1.5358,-.1028,3.0157;2.6993,.6494,3.075;-2.2624,-.9113,1.3664;-3.9048,-.6582,1.8786;-4.7098,-.9425,-.4914;-4.0015,-2.3728,.2095;-3.0283,3.2513,2.3703;-4.0729,1.963,2.9632;-2.3279,1.8011,3.0813;-4.549,3.01,-.4282;-4.5569,1.479,-1.2943;-5.5148,1.6652,.1676;-3.3488,-1.9909,-2.1492;-2.5584,-.4911,-1.7185;-2.3348,1.9262,-2.1136;-.326,1.9106,1.6747;-.2351,2.4923,-3.2164;1.7558,2.4755,.5928;-.2763,-.53,-.9168;-2.5522,-4.1584,-1.0393;-.5368,-5.4445,-.4246;3.4689,1.9804,-.8681;3.2289,3.72,-.6774;4.1886,4.0997,-2.9655;5.3118,3.2422,-1.9146;4.4252,2.3542,-3.1506;4.0591,-.2792,.1074;.3468,-1.4882,1.9004;4.5246,1.1503,2.0598;.8199,-.0612,3.8263;2.8982,1.2836,3.9284; 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:-3.1088,1.3462,.748;1.7943,-4.3857,.042;2.0273,2.8112,-2.1033;1.9885,-1.7144,-.2585;-3.2306,-.5279,1.0244;-3.7636,-1.3633,-.1408;-1.514,1.8473,-.119;-3.1348,2.1674,2.4429;-4.5621,1.926,-.298;-2.8182,-1.4823,-1.3404;-1.4443,2.0347,-1.5046;-.3316,2.0254,.5965;-1.5678,-2.2496,-1.0136;-.2602,2.3562,-2.1419;.8724,2.3502,-.019;.9141,2.5084,-1.4019;-.3527,-1.6064,-.8067;-1.6177,-3.6368,-.8721;.7777,-2.3275,-.4491;-.4926,-4.3679,-.5274;.696,-3.701,-.3065;3.2679,2.9088,-1.4116;4.3529,3.1661,-2.4268;2.1743,-.963,.8734;3.353,-.2278,.9267;1.2648,-.9154,1.9215;3.6092,.5742,2.0272;1.5358,-.1028,3.0157;2.6993,.6494,3.075;-2.2624,-.9113,1.3664;-3.9048,-.6582,1.8786;-4.7098,-.9425,-.4914;-4.0015,-2.3728,.2095;-3.0283,3.2513,2.3703;-4.0729,1.963,2.9632;-2.3279,1.8011,3.0813;-4.549,3.01,-.4282;-4.5569,1.479,-1.2943;-5.5148,1.6652,.1676;-3.3488,-1.9909,-2.1492;-2.5584,-.4911,-1.7185;-2.3348,1.9262,-2.1136;-.326,1.9106,1.6747;-.2351,2.4923,-3.2164;1.7558,2.4755,.5928;-.2763,-.53,-.9169;-2.5522,-4.1584,-1.0393;-.5368,-5.4445,-.4246;3.4689,1.9804,-.8681;3.2289,3.72,-.6774;4.1886,4.0997,-2.9655;5.3118,3.2422,-1.9146;4.4252,2.3542,-3.1506;4.0591,-.2792,.1074;.3468,-1.4882,1.9004;4.5246,1.1503,2.0598;.8199,-.0612,3.8263;2.8982,1.2836,3.9284; 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 3378 GEPOL Volume 2927.1476 GEPOL Surface-area 1623.4961 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.05381597 3022.78224539 -4532.83606136 -8075.84846258 3543.01240122 -0.02655142 -3013.96304146 1503.90922549 2.00408575 108.999934506845 108.999934506845 217.999869013689 -135.235770072006 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 -1800.5870 -674.9482 -524.7006 -524.1864 -282.0404 -281.6053 -281.5293 -281.3986 -280.8702 -279.9921 -279.9185 -279.8217 -279.8010 -279.7930 -279.7761 -279.7097 -279.6921 -279.6895 -279.6765 -279.5674 -279.5319 -279.5123 -279.3947 -279.3495 -279.1734 -279.1148 -278.8023 -278.6646 -278.6463 -145.6467 -100.7154 -100.6990 -100.6900 -36.8307 -32.9740 -32.3442 -27.0627 -26.6023 -26.4242 -24.9362 -24.2557 -24.1604 -23.6292 -23.5359 -23.4673 -23.0477 -22.8033 -22.0143 -21.4148 -21.3386 -20.6153 -20.4071 -19.9272 -19.6316 -19.3643 -19.2400 -18.6823 -18.3630 -18.0169 -17.5317 -17.3834 -16.8803 -16.3841 -16.0922 -16.0461 -15.9444 -15.6551 -15.6324 -15.4273 -14.8997 -14.7411 -14.7187 -14.7073 -14.5075 -14.3057 -14.2305 -14.0815 -14.0358 -13.7817 -13.7409 -13.6747 -13.4953 -13.4124 -13.3004 -12.9938 -12.9336 -12.8695 -12.8543 -12.6722 -12.4868 -12.4230 -12.3383 -12.1966 -12.0368 -11.8999 -11.7131 -11.5919 -11.3346 -11.3136 -11.1812 -10.4425 -10.3047 -9.9307 -9.5795 -9.3716 -9.2946 -8.8757 -8.5991 -8.2720 1.2914 1.5731 1.6816 1.8561 1.9530 2.0745 3.0344 3.3662 3.5076 3.7566 3.8302 3.9629 4.1576 4.2974 4.4359 4.5161 4.6644 4.6946 4.8039 4.9180 4.9341 5.1743 5.2143 5.3324 5.3728 5.4158 5.5217 5.6534 5.7495 5.8661 5.9292 5.9895 5.9965 6.0993 6.2553 6.2983 6.3293 6.4140 6.5039 6.6235 6.7155 6.7924 6.8520 6.9481 7.0128 7.1116 7.2512 7.3384 7.3813 7.4532 7.6248 7.7747 7.9511 7.9681 8.0500 8.1519 8.2181 8.3278 8.3877 8.4439 8.5636 8.5854 8.6699 8.8301 8.8506 9.0414 9.2771 9.3368 9.3696 9.4335 9.6217 9.7033 9.8154 9.9563 9.9715 10.0526 10.1271 10.3998 10.4124 10.4772 10.5588 10.6637 10.7903 10.8087 10.9711 10.9767 11.0576 11.3047 11.3695 11.4230 11.4810 11.5934 11.6781 11.7877 11.8214 11.9205 12.0405 12.1349 12.3138 12.3650 12.4947 12.6502 12.6971 12.8016 12.8537 12.9246 13.0081 13.1726 13.2032 13.2923 13.3356 13.4697 13.5390 13.6624 13.7060 13.7251 13.7730 13.8604 13.9437 14.0091 14.0916 14.1266 14.2434 14.3397 14.3888 14.4970 14.5836 14.6930 14.7516 14.8396 14.8497 14.9243 15.0608 15.0726 15.1072 15.1649 15.2934 15.3988 15.4313 15.5088 15.5503 15.7031 15.7645 15.8291 15.9744 16.0979 16.1125 16.2377 16.3405 16.3973 16.4353 16.4819 16.6049 16.8293 16.8855 16.9765 17.0788 17.2174 17.3049 17.3710 17.4678 17.5878 17.7406 17.7938 18.0066 18.1760 18.2348 18.2958 18.3681 18.5214 18.8081 18.8404 18.9107 19.2622 19.2877 19.4315 19.5016 19.5628 19.6447 19.8057 19.8871 19.9941 20.0775 20.3060 20.3795 20.4369 20.6125 20.7224 20.7397 20.8020 20.8892 21.0872 21.1864 21.3221 21.4674 21.5131 21.6631 21.6942 21.9016 21.9520 22.0450 22.2267 22.3156 22.4465 22.4787 22.6099 22.6445 22.9360 23.0127 23.0910 23.1567 23.2066 23.3907 23.4642 23.6443 23.7125 23.8956 23.9747 24.0766 24.1871 24.3706 24.5529 24.6269 24.7605 24.7995 24.9140 24.9940 25.0834 25.0995 25.3511 25.4119 25.4632 25.6482 25.7672 25.9751 26.0680 26.1701 26.2780 26.2946 26.4840 26.7662 26.7944 26.8512 27.0818 27.1820 27.2103 27.2651 27.4105 27.5633 27.7312 27.8401 28.0063 28.0710 28.2387 28.3193 28.3990 28.5056 28.5666 28.7172 28.8176 28.9844 29.0371 29.2282 29.3811 29.5293 29.6548 29.7469 29.8130 29.8875 30.0438 30.1502 30.2959 30.3426 30.5226 30.5735 30.8757 30.9577 31.0019 31.1061 31.2535 31.3185 31.4585 31.5336 31.6612 31.8260 31.9291 32.0497 32.1494 32.2165 32.3131 32.3687 32.4326 32.4780 32.6580 32.7299 32.7855 33.0028 33.1334 33.3355 33.3590 33.4533 33.6686 33.7993 33.9545 33.9751 34.1130 34.1774 34.3757 34.5412 34.6429 34.6970 34.8247 34.9974 35.1177 35.2558 35.3049 35.4206 35.4660 35.5634 35.6370 35.7908 35.9819 36.0317 36.2459 36.3591 36.4324 36.6531 36.7318 36.8321 37.0152 37.1065 37.2055 37.2670 37.3379 37.5175 37.7249 37.8099 37.9103 37.9741 38.1004 38.2007 38.4253 38.5653 38.7163 38.7611 38.8613 38.9451 39.0072 39.0780 39.2941 39.3587 39.4459 39.5861 39.6547 39.6753 39.8220 39.8796 39.9405 40.0799 40.2298 40.3068 40.5180 40.6381 40.8249 40.8911 40.9929 41.1656 41.2384 41.3896 41.5160 41.5565 41.6886 41.7534 41.9342 42.0333 42.1195 42.2866 42.3145 42.3671 42.5336 42.6684 42.7582 42.8309 43.0716 43.1659 43.2088 43.2916 43.3579 43.4585 43.6603 43.7212 43.9550 44.0506 44.1227 44.3335 44.4216 44.4696 44.5088 44.6225 44.6768 44.8608 44.8835 45.0813 45.2279 45.3740 45.4039 45.5865 45.6661 45.8281 45.9122 46.0270 46.2030 46.2560 46.3775 46.4269 46.4860 46.6596 46.7887 46.8497 47.0844 47.3478 47.5032 47.6073 47.6965 47.7514 47.8809 48.1875 48.2372 48.2663 48.5225 48.6273 48.7468 48.8451 49.0991 49.2632 49.3822 49.4632 49.5533 49.7063 49.8708 49.8888 50.1996 50.3286 50.3465 50.4353 50.7297 51.0584 51.2617 51.3086 51.5291 51.6672 51.9306 51.9984 52.3044 52.3912 52.5335 52.7925 52.9014 53.0855 53.1994 53.3401 53.6430 53.7366 53.9530 54.1540 54.3724 54.5751 54.7409 55.0051 55.6137 55.6686 55.7282 55.8426 56.0870 56.2177 56.2402 56.3871 56.5611 56.9889 57.0678 57.2982 57.6903 57.8090 57.9795 58.2194 58.2821 58.4062 58.4671 58.9518 59.0216 59.1418 59.4494 59.6038 59.6802 59.8830 59.9271 60.1510 60.3628 60.5247 60.6476 60.7259 61.0141 61.1314 61.5917 61.8469 61.9469 62.1765 62.6015 62.7447 62.9584 63.0431 63.3345 63.5762 63.6766 64.0849 64.1622 64.4333 64.6072 64.6691 65.0475 65.2809 65.4724 65.6361 65.8357 65.8786 66.2411 66.3184 66.5613 66.8586 67.0840 67.2999 67.5329 67.6863 67.8222 68.0290 68.1880 68.3655 68.6601 68.7623 68.8569 69.1709 69.3133 69.6305 69.8288 70.2728 70.5215 70.6867 71.0013 71.2653 71.6128 71.7429 71.8930 72.1100 72.3067 72.5194 72.6882 72.9171 73.1264 73.1644 73.4282 73.5625 73.8877 74.1586 74.3343 74.5603 74.6119 74.7660 74.9506 75.0925 75.3105 75.3479 75.6190 75.8232 75.9265 76.1981 76.3130 76.3563 76.4750 76.7689 77.0056 77.0875 77.3002 77.4560 77.6270 77.7192 77.8005 78.2478 78.2931 78.3382 78.4990 78.6297 78.7839 78.9068 78.9993 79.0863 79.1451 79.2186 79.4286 79.4571 79.5602 79.7337 79.8229 79.9108 79.9393 80.0822 80.1291 80.2875 80.3996 80.5021 80.6099 80.7025 80.7600 80.8667 80.9788 81.1613 81.3740 81.4810 81.5672 81.7710 81.9486 82.0174 82.1994 82.4493 82.5608 82.5830 82.6374 82.9122 82.9505 83.0940 83.2135 83.3439 83.4332 83.5847 83.6823 83.8508 83.9710 84.1524 84.2792 84.3872 84.5253 84.5277 84.5682 84.7898 84.9080 84.9924 85.0151 85.1335 85.2297 85.3133 85.4932 85.6808 85.7370 85.8963 85.9526 86.0198 86.0767 86.1770 86.3691 86.4132 86.4581 86.5618 86.6258 86.7498 86.8922 87.0004 87.1176 87.2011 87.3322 87.4166 87.5244 87.6844 87.7290 87.7871 87.9292 87.9822 88.2261 88.3007 88.3816 88.4686 88.6522 88.6809 88.7957 88.8458 89.0904 89.1537 89.2356 89.3910 89.4580 89.5770 89.6519 89.6624 89.8214 89.9454 90.0368 90.0997 90.2527 90.3568 90.4702 90.5767 90.6251 90.7707 90.8784 90.9894 91.0155 91.0982 91.3224 91.4575 91.4986 91.6992 91.8732 91.9952 92.1559 92.3220 92.3751 92.5537 92.6317 92.8816 92.9209 93.1540 93.2436 93.2860 93.5047 93.6008 93.6398 93.6735 93.7231 93.9122 93.9463 94.0549 94.1086 94.3206 94.3939 94.4654 94.5344 94.6614 94.8263 94.9955 95.1314 95.1964 95.3165 95.3708 95.4982 95.5820 95.6277 95.7485 95.8214 95.9884 96.0199 96.2478 96.3443 96.4990 96.6323 96.6906 96.8113 96.9138 97.1433 97.3568 97.4416 97.5043 97.5306 97.6693 97.7633 97.8722 98.0301 98.2210 98.2795 98.4238 98.4764 98.6094 98.7869 98.8196 98.9729 99.0767 99.2747 99.3810 99.4742 99.5919 99.6938 99.8873 99.9849 100.1600 100.2390 100.3456 100.4234 100.5015 100.6745 100.9520 100.9811 101.1196 101.2249 101.3515 101.5862 101.6725 101.7649 101.9986 102.0188 102.2427 102.3290 102.5732 102.7607 102.9664 103.2145 103.3531 103.5176 103.6925 103.8470 104.0207 104.0973 104.2491 104.2742 104.4150 104.5048 104.6968 104.7505 104.9012 104.9435 105.1549 105.2502 105.3979 105.4105 105.4762 105.7057 105.7341 105.8930 106.0612 106.2573 106.3685 106.6461 106.7079 106.9121 107.0056 107.1610 107.2925 107.3560 107.4219 107.5698 107.6354 107.9081 107.9739 108.1385 108.1518 108.2331 108.3656 108.4380 108.5403 108.8447 108.8714 109.1101 109.1625 109.2820 109.3294 109.5705 109.6461 109.7603 109.9609 110.1373 110.3480 110.4247 110.4927 110.5733 110.8494 111.0599 111.3029 111.3694 111.5126 111.7216 111.7543 111.8721 112.0289 112.0962 112.2622 112.3229 112.4604 112.6821 112.7783 112.9555 113.1952 113.3061 113.4594 113.6011 113.6053 113.7585 113.8212 113.9886 114.1522 114.3279 114.4248 114.5336 114.6227 114.9189 114.9516 115.1796 115.2839 115.3706 115.3981 115.5677 115.7613 115.8294 116.0648 116.1078 116.2177 116.3405 116.3979 116.4907 116.5452 116.6710 116.9269 116.9910 117.0344 117.2845 117.4208 117.5942 117.6066 117.7708 117.9119 117.9646 118.1540 118.2686 118.3424 118.4601 118.5706 118.6385 118.7963 119.0683 119.0927 119.2109 119.3454 119.3824 119.5034 119.6136 119.8355 119.8878 119.9425 120.0271 120.0640 120.2525 120.3788 120.4936 120.5897 120.8913 120.9088 121.0212 121.0760 121.1703 121.3043 121.5454 121.6100 121.7827 121.9324 122.0699 122.2747 122.5493 122.6448 122.8886 123.0247 123.0487 123.3294 123.5580 123.6469 123.6965 124.1637 124.3806 124.6264 124.9432 125.1080 125.3279 125.6781 125.9503 126.1848 126.4375 126.6487 126.8883 127.0201 127.1201 127.1501 127.4337 127.4888 127.5651 127.7450 127.8800 128.2018 128.2126 128.4109 128.5898 128.8321 129.0195 129.1416 129.5558 129.8837 130.0252 130.3613 130.4241 130.5516 130.7090 130.8955 131.1508 131.3402 131.4340 131.6260 131.8446 131.9479 132.0228 132.1435 132.1768 132.5709 132.9558 133.1466 133.2771 133.3385 133.4693 133.5808 133.8292 134.2043 134.3073 134.4657 134.5279 134.6749 134.9310 135.3757 135.4958 135.7169 135.7916 136.1116 136.2786 136.7615 136.9575 137.1348 137.3699 137.5101 137.8869 138.2349 138.2783 138.5257 138.6034 138.7485 138.8555 139.2040 139.4593 139.7065 139.8904 139.9435 140.1378 140.3294 140.3860 140.7287 140.9682 141.4278 141.7004 141.8494 142.1749 142.3630 142.8708 143.0991 143.3985 143.5442 143.7309 143.8537 144.0341 144.0773 144.2221 144.4509 144.6694 144.7472 145.0225 145.2256 145.3207 145.4290 145.9492 146.3906 146.5565 147.0032 147.3668 147.5433 147.6851 148.0022 148.2521 148.3756 148.4873 148.5543 148.6285 148.8853 149.1465 149.2213 149.5050 149.7121 149.9435 150.0464 150.0836 150.2350 150.4714 150.5703 150.6977 150.8885 150.9759 151.1124 151.1613 151.9278 152.3711 152.5264 152.7337 152.9394 153.3335 153.4165 153.9452 154.1138 154.4697 154.6951 155.0110 155.3064 155.5225 155.7719 156.1921 156.5531 156.6419 156.8196 156.9333 157.0768 157.1881 157.4541 157.7000 157.7212 158.0785 158.1833 158.4427 158.8550 158.9940 159.2005 159.4972 160.0488 160.4594 160.6392 161.5927 161.8831 161.9850 163.0456 163.9014 164.3231 164.5093 165.2412 166.7875 168.5425 169.5552 170.1388 171.7353 172.6489 174.1405 175.7829 177.8526 179.5405 181.0597 181.8381 185.7097 186.6766 187.6191 188.2447 188.9912 189.2475 189.4497 190.1839 190.4019 191.2105 192.6991 192.7512 193.1064 195.5040 196.6202 199.7118 201.1158 203.3278 206.0615 206.9837 207.8892 212.3969 229.8685 235.8750 241.1308 247.9944 248.9394 338.1737 618.8865 622.0054 625.5702 629.9394 630.6743 632.1283 632.8471 633.1761 634.7191 635.0285 635.2156 635.9226 637.3834 637.6065 638.2967 639.3565 640.4308 640.9098 643.9380 644.4851 645.6601 646.7781 654.3922 656.0507 658.3910 1213.7503 1215.7857 1563.4246 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 0.473422 -0.219715 -0.341392 -0.341608 -0.262363 -0.151652 -0.142712 -0.463511 -0.436133 -0.106603 -0.100928 -0.158528 -0.027571 -0.282769 -0.307753 0.381714 -0.140480 -0.161970 0.172936 -0.211110 0.252284 0.075858 -0.280862 0.358213 -0.271921 -0.198864 -0.133400 -0.204823 -0.166940 0.070703 0.100004 0.086530 0.093479 0.103768 0.105480 0.101664 0.114235 0.101880 0.112746 0.101737 0.095240 0.146409 0.150981 0.134260 0.146240 0.102462 0.146773 0.149764 0.084018 0.098312 0.090437 0.091367 0.087740 0.148406 0.155038 0.158150 0.162075 0.159282 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 13.5266 9.2197 8.3414 8.3416 6.2624 6.1517 6.1427 6.4635 6.4361 6.1066 6.1009 6.1585 6.0276 6.2828 6.3078 5.6183 6.1405 6.1620 5.8271 6.2111 5.7477 5.9241 6.2809 5.6418 6.2719 6.1989 6.1334 6.2048 6.1669 0.9293 0.9000 0.9135 0.9065 0.8962 0.8945 0.8983 0.8858 0.8981 0.8873 0.8983 0.9048 0.8536 0.8490 0.8657 0.8538 0.8975 0.8532 0.8502 0.9160 0.9017 0.9096 0.9086 0.9123 0.8516 0.8450 0.8418 0.8379 0.8407 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 0.4734 -0.2197 -0.3414 -0.3416 -0.2624 -0.1517 -0.1427 -0.4635 -0.4361 -0.1066 -0.1009 -0.1585 -0.0276 -0.2828 -0.3078 0.3817 -0.1405 -0.1620 0.1729 -0.2111 0.2523 0.0759 -0.2809 0.3582 -0.2719 -0.1989 -0.1334 -0.2048 -0.1669 0.0707 0.1000 0.0865 0.0935 0.1038 0.1055 0.1017 0.1142 0.1019 0.1127 0.1017 0.0952 0.1464 0.1510 0.1343 0.1462 0.1025 0.1468 0.1498 0.0840 0.0983 0.0904 0.0914 0.0877 0.1484 0.1550 0.1582 0.1621 0.1593 4.1164 1.0675 2.0775 2.0718 3.8240 3.8916 3.6621 3.9146 3.9036 3.8111 3.8190 3.8499 3.6655 4.0418 3.8598 3.7209 3.8508 3.8704 3.6891 3.9191 4.0202 3.7916 3.9785 3.5645 3.9242 3.8116 3.8513 3.8774 3.8677 1.0220 1.0063 1.0014 1.0023 1.0108 1.0106 1.0110 1.0089 1.0061 1.0060 1.0089 1.0097 0.9829 0.9789 1.0141 1.0108 1.0208 0.9984 0.9983 0.9815 0.9873 1.0041 1.0050 1.0035 1.0064 1.0046 0.9890 0.9910 0.9887 4.1164 1.0675 2.0775 2.0718 3.8240 3.8916 3.6621 3.9146 3.9036 3.8111 3.8190 3.8499 3.6655 4.0418 3.8598 3.7209 3.8508 3.8704 3.6891 3.9191 4.0202 3.7916 3.9785 3.5645 3.9242 3.8116 3.8513 3.8774 3.8677 1.0220 1.0063 1.0014 1.0023 1.0108 1.0106 1.0110 1.0089 1.0061 1.0060 1.0089 1.0097 0.9829 0.9789 1.0141 1.0108 1.0208 0.9984 0.9983 0.9815 0.9873 1.0041 1.0050 1.0035 1.0064 1.0046 0.9890 0.9910 0.9887 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.9470 0.9993 0.9660 0.9708 1.0633 1.0926 0.8806 0.9154 0.9808 0.9141 0.9820 0.9765 0.9060 1.0098 1.0061 1.2561 1.3498 0.9764 0.9761 0.9762 0.9737 0.9745 0.9741 0.8872 1.0029 1.0191 1.4949 0.9954 1.3835 0.9709 1.3466 1.3579 1.3380 0.9993 1.3051 0.9766 1.3454 0.9881 1.4251 0.9851 1.4010 1.4056 0.9867 0.9697 0.9653 0.9791 0.9967 0.9896 0.9926 1.3117 1.3047 1.4199 1.0021 1.3698 0.9850 1.3851 0.9942 1.4133 0.9908 0.9914 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 -0.036037494 -1510.089853464942 -16.49871 15.66376 -0.83495 22.87933 -22.41350 0.46583 2.45214 -1.79990 0.65224 1.15740 2.94187