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:-3.5801,.6423,.1965;3.4315,-.9797,.5769;.6605,1.4132,4.4426;2.112,-2.1968,-1.3922;-2.7654,-.14,-1.325;-2.0822,.8093,-2.3117;-2.2962,.9325,1.5429;-4.8662,-.5732,.8484;-4.4079,2.2718,-.2533;-.96,1.6723,-1.7404;-2.0381,2.1898,2.0821;-1.5308,-.1328,2.0357;.2,.9394,-1.1167;-1.0652,2.3994,3.0554;-.56,.0481,3.0016;-.3129,1.3233,3.517;.61,-.3085,-1.5768;.9091,1.5248,-.0701;1.7028,-.9534,-1.0144;1.995,.8865,.5088;2.3851,-.3449,.0282;.9868,2.6869,4.9816;2.1254,2.5042,5.9538;2.1658,-2.5306,-2.7184;1.8629,-3.846,-3.0424;2.5542,-1.6299,-3.7028;1.9527,-4.2628,-4.3624;2.628,-2.0591,-5.0203;2.3297,-3.3721,-5.358;-2.0657,-.9105,-.983;-3.5476,-.6891,-1.8611;-2.8287,1.4876,-2.7339;-1.703,.2382,-3.1651;-4.4191,-1.5393,1.0941;-5.3497,-.2004,1.7539;-5.6506,-.759,.111;-3.6965,3.0208,-.6069;-5.1441,2.126,-1.0471;-4.9398,2.7023,.5981;-.5746,2.3038,-2.5481;-1.3659,2.3691,-1.0017;-2.6,3.0524,1.7418;-1.6834,-1.1367,1.653;-.9103,3.4014,3.4326;.024,-.792,3.3585;.0758,-.7949,-2.3842;.6055,2.4923,.3096;2.537,1.3417,1.328;.1175,3.1189,5.4889;1.2778,3.3744,4.18;1.8512,1.8395,6.7737;3.012,2.1025,5.4618;2.392,3.4699,6.3837;1.5624,-4.537,-2.2646;2.8024,-.6056,-3.4547;1.7174,-5.2895,-4.6116;2.9304,-1.3573,-5.7869;2.393,-3.6984,-6.3877; 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 2902.4509256548 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 5.784e-06 Time for diagonalization 0.487 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.513 sec Total time needed 1.015 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:-3.5801,.6423,.1965;3.4315,-.9797,.5769;.6605,1.4132,4.4426;2.112,-2.1968,-1.3922;-2.7654,-.14,-1.325;-2.0822,.8093,-2.3117;-2.2962,.9325,1.5429;-4.8662,-.5732,.8484;-4.4079,2.2718,-.2533;-.96,1.6723,-1.7404;-2.0381,2.1898,2.0821;-1.5308,-.1328,2.0357;.2,.9394,-1.1167;-1.0652,2.3994,3.0554;-.56,.0481,3.0016;-.3129,1.3233,3.517;.61,-.3085,-1.5768;.9091,1.5248,-.0701;1.7028,-.9534,-1.0144;1.995,.8865,.5088;2.3851,-.3449,.0282;.9868,2.6869,4.9816;2.1254,2.5042,5.9538;2.1658,-2.5306,-2.7184;1.8629,-3.846,-3.0424;2.5542,-1.6299,-3.7028;1.9527,-4.2628,-4.3624;2.628,-2.0591,-5.0203;2.3297,-3.3721,-5.358;-2.0657,-.9105,-.983;-3.5476,-.6891,-1.8611;-2.8287,1.4876,-2.7339;-1.703,.2382,-3.1651;-4.4191,-1.5393,1.0941;-5.3497,-.2004,1.7539;-5.6506,-.759,.111;-3.6965,3.0208,-.6069;-5.1441,2.126,-1.0471;-4.9398,2.7023,.5981;-.5746,2.3038,-2.5481;-1.3659,2.3691,-1.0017;-2.6,3.0524,1.7418;-1.6834,-1.1367,1.653;-.9103,3.4014,3.4326;.024,-.792,3.3585;.0758,-.7949,-2.3842;.6055,2.4923,.3096;2.537,1.3417,1.328;.1175,3.1189,5.4889;1.2778,3.3744,4.18;1.8512,1.8395,6.7737;3.012,2.1025,5.4618;2.392,3.4699,6.3837;1.5624,-4.537,-2.2646;2.8024,-.6056,-3.4547;1.7174,-5.2895,-4.6116;2.9304,-1.3573,-5.7869;2.393,-3.6984,-6.3877; 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:-3.5801,.6423,.1965;3.4315,-.9797,.5769;.6605,1.4132,4.4426;2.112,-2.1968,-1.3922;-2.7654,-.14,-1.325;-2.0822,.8093,-2.3117;-2.2962,.9325,1.5429;-4.8662,-.5732,.8484;-4.4079,2.2718,-.2533;-.96,1.6723,-1.7404;-2.0381,2.1898,2.0821;-1.5308,-.1328,2.0357;.2,.9394,-1.1167;-1.0652,2.3994,3.0554;-.56,.0481,3.0016;-.3129,1.3233,3.517;.61,-.3085,-1.5768;.9091,1.5248,-.0701;1.7028,-.9534,-1.0144;1.995,.8865,.5088;2.3851,-.3449,.0282;.9868,2.6869,4.9816;2.1254,2.5042,5.9538;2.1658,-2.5306,-2.7184;1.8629,-3.846,-3.0424;2.5542,-1.6299,-3.7028;1.9527,-4.2628,-4.3624;2.628,-2.0591,-5.0203;2.3297,-3.3721,-5.358;-2.0657,-.9105,-.983;-3.5476,-.6891,-1.8611;-2.8287,1.4876,-2.7339;-1.703,.2382,-3.1651;-4.4191,-1.5393,1.0941;-5.3497,-.2004,1.7539;-5.6506,-.759,.111;-3.6965,3.0208,-.6069;-5.1441,2.126,-1.0471;-4.9398,2.7023,.5981;-.5746,2.3038,-2.5481;-1.3659,2.3691,-1.0017;-2.6,3.0524,1.7418;-1.6834,-1.1367,1.653;-.9103,3.4014,3.4326;.024,-.792,3.3585;.0758,-.7949,-2.3842;.6055,2.4923,.3096;2.537,1.3417,1.328;.1175,3.1189,5.4889;1.2778,3.3744,4.18;1.8512,1.8395,6.7737;3.012,2.1025,5.4618;2.392,3.4699,6.3837;1.5624,-4.537,-2.2646;2.8024,-.6056,-3.4547;1.7174,-5.2895,-4.6116;2.9304,-1.3573,-5.7869;2.393,-3.6984,-6.3877; 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 3402 GEPOL Volume 2926.9284 GEPOL Surface-area 1642.5145 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -1510.06902151 2902.45092565 -4412.51994717 -7835.61268378 3423.09273661 -0.02447885 -3013.96731902 1503.89829751 2.00410315 109.000235108315 109.000235108315 218.000470216629 -135.232569066858 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 -1800.5970 -674.8423 -524.6791 -524.1635 -281.9311 -281.5939 -281.5631 -281.3656 -280.9238 -279.9856 -279.8495 -279.8198 -279.8073 -279.7693 -279.7584 -279.7114 -279.6918 -279.6804 -279.6492 -279.6176 -279.5244 -279.4865 -279.4458 -279.3689 -279.2086 -279.1054 -278.8102 -278.7107 -278.6564 -145.6571 -100.7229 -100.7101 -100.7023 -36.7211 -33.0166 -32.3662 -27.0267 -26.6040 -26.4013 -24.9306 -24.2731 -24.1650 -23.6634 -23.4892 -23.4400 -23.0661 -22.7954 -22.0215 -21.4918 -21.3336 -20.6481 -20.4221 -19.9534 -19.6335 -19.3478 -19.0596 -18.6893 -18.4239 -17.9805 -17.5179 -17.5025 -16.7485 -16.3445 -16.0817 -16.0672 -15.9693 -15.6153 -15.6006 -15.1987 -14.9671 -14.8223 -14.7908 -14.6676 -14.4849 -14.3427 -14.2394 -14.1403 -14.0118 -13.7645 -13.7161 -13.5625 -13.4701 -13.3862 -13.3136 -12.9922 -12.9403 -12.9017 -12.8584 -12.7245 -12.5399 -12.4851 -12.3645 -12.1797 -12.0591 -11.9117 -11.7936 -11.4922 -11.3499 -11.2914 -11.2125 -10.4660 -10.3231 -9.8975 -9.5817 -9.3989 -9.2785 -8.9270 -8.3702 -8.2492 1.3498 1.6041 1.6890 1.8337 1.9845 2.1863 3.0187 3.2319 3.5660 3.6290 3.8462 3.9658 4.0722 4.2309 4.3691 4.5219 4.6007 4.6686 4.7880 4.8927 4.9870 5.0486 5.1024 5.2417 5.3676 5.4465 5.5041 5.5811 5.6986 5.7349 5.7888 5.8499 5.9246 5.9697 6.1676 6.1986 6.2710 6.2853 6.3982 6.4674 6.5291 6.6605 6.7314 6.9069 6.9550 7.0633 7.2874 7.3234 7.3823 7.4846 7.5499 7.7242 7.8239 7.9354 7.9785 8.0238 8.1325 8.2234 8.3340 8.4017 8.4620 8.5304 8.6387 8.7009 8.7739 8.8370 8.9199 9.0138 9.0543 9.2003 9.2879 9.3806 9.4623 9.5959 9.7863 9.8831 9.9367 10.1517 10.1948 10.3128 10.5212 10.6015 10.6113 10.7637 10.7939 10.8401 10.9914 11.1696 11.1803 11.2796 11.3392 11.4171 11.5639 11.6331 11.7561 11.7797 11.8910 11.9911 12.0400 12.0878 12.2886 12.4268 12.5006 12.6411 12.7110 12.8284 12.9219 12.9368 13.0028 13.1272 13.2091 13.3588 13.3898 13.4507 13.5084 13.5571 13.7365 13.8240 13.8488 13.9068 13.9489 14.0480 14.1111 14.1240 14.1469 14.2167 14.3565 14.3937 14.4367 14.5169 14.5435 14.6436 14.8160 14.8605 14.9259 14.9860 15.0244 15.1169 15.1726 15.2161 15.3431 15.4214 15.5379 15.6047 15.7278 15.7317 15.8874 15.9144 15.9783 16.1134 16.1388 16.3148 16.3483 16.4131 16.5010 16.5468 16.6407 16.7027 16.8234 16.9569 17.0638 17.2097 17.4285 17.5443 17.5671 17.7385 17.8222 18.0048 18.1051 18.1513 18.3305 18.4742 18.6929 18.7788 18.9496 19.1030 19.1331 19.3746 19.4702 19.5392 19.6599 19.7491 19.9356 20.0008 20.1000 20.2317 20.3193 20.3448 20.4508 20.5310 20.5591 20.7734 20.9104 20.9204 20.9615 21.1265 21.4030 21.4726 21.5565 21.6222 21.8004 21.9569 22.0797 22.2505 22.2583 22.3838 22.5004 22.5593 22.5997 22.7739 22.8640 22.9807 23.0033 23.1183 23.3047 23.4187 23.5477 23.6591 23.7622 23.8658 23.9644 24.0175 24.1485 24.3243 24.4442 24.6272 24.7516 24.9104 25.0415 25.1194 25.2547 25.3086 25.4145 25.5781 25.6265 25.8363 25.9302 26.1268 26.1973 26.3365 26.3870 26.5500 26.6539 26.7839 26.8638 26.9040 26.9845 27.0846 27.3019 27.4026 27.4392 27.6423 27.7482 27.8975 27.9306 28.1279 28.3517 28.4128 28.4842 28.6527 28.7062 28.8518 29.0634 29.1585 29.2689 29.3683 29.5029 29.5731 29.6837 29.7383 29.9348 29.9630 30.0373 30.1116 30.1363 30.2967 30.4973 30.6157 30.8335 30.9381 31.0488 31.0815 31.1898 31.3414 31.4484 31.5631 31.5954 31.8733 31.9145 31.9874 32.2063 32.3387 32.5065 32.6289 32.6827 32.8453 32.8659 33.0059 33.1819 33.2521 33.4526 33.5070 33.5669 33.7177 33.7754 33.8687 34.0076 34.1294 34.2326 34.3133 34.5113 34.6078 34.7114 34.8191 34.8870 34.9956 35.1059 35.2493 35.3455 35.4507 35.5392 35.6899 35.7348 35.7987 36.0237 36.1023 36.3869 36.4471 36.5041 36.6794 36.7341 36.8394 37.1231 37.2113 37.3220 37.4793 37.5487 37.7733 37.8638 37.9976 38.1328 38.2800 38.3633 38.4068 38.4648 38.5919 38.6961 38.8469 38.9323 38.9522 39.0393 39.1049 39.2357 39.3749 39.5560 39.5872 39.7655 39.8563 39.8909 40.0140 40.2504 40.3051 40.4356 40.5806 40.6925 40.7775 40.8850 41.0007 41.0559 41.2382 41.3400 41.4102 41.4874 41.5125 41.6689 41.8246 41.9080 42.0493 42.1933 42.2318 42.3075 42.3766 42.5198 42.5853 42.6716 42.8083 42.8725 42.9814 43.0804 43.1702 43.2622 43.5098 43.5780 43.6015 43.6942 43.8103 43.9035 44.1117 44.1814 44.3331 44.4363 44.6264 44.7328 44.8066 44.9000 45.1151 45.2187 45.3283 45.4181 45.5082 45.7641 45.8434 45.9298 45.9864 46.1256 46.1987 46.4233 46.4583 46.5459 46.5724 46.6467 46.8727 47.0275 47.1496 47.2745 47.4661 47.5146 47.6775 47.9209 48.0336 48.1407 48.2363 48.5128 48.5987 48.8767 48.9581 49.0114 49.1674 49.3850 49.5538 49.6371 49.8505 49.9259 50.0649 50.1494 50.3267 50.5801 50.7257 50.8619 51.0222 51.0947 51.3775 51.5156 51.6190 51.7683 51.9991 52.2890 52.4862 52.6902 52.7705 52.8657 53.0411 53.1478 53.4710 53.6476 53.7343 54.1386 54.3512 54.5612 54.7299 55.2316 55.3286 55.5672 55.6607 55.7839 56.0493 56.1605 56.3637 56.5677 56.6611 57.0896 57.1976 57.3009 57.3896 57.4642 57.7502 57.8595 58.1613 58.3974 58.5041 58.5941 58.7499 59.0864 59.1628 59.4635 59.7209 59.9068 59.9498 60.2487 60.5231 60.8769 61.0991 61.1839 61.3974 61.7195 61.8861 61.9388 62.1595 62.3563 62.4664 62.6875 63.1656 63.3054 63.5349 63.6962 63.9740 64.1381 64.2768 64.5591 64.8240 65.0825 65.1867 65.3331 65.4950 65.8585 65.9062 66.2395 66.3727 67.0265 67.1974 67.2300 67.3706 67.4550 67.6706 67.8615 68.0806 68.1710 68.4627 68.6270 68.8373 69.0015 69.0954 69.3364 69.6285 69.7546 70.0279 70.4355 70.6091 71.1045 71.5004 71.6593 71.9011 71.9980 72.1580 72.4333 72.6179 72.7457 72.9695 73.2281 73.4069 73.4554 73.7229 73.8967 74.0083 74.3175 74.5904 74.6551 74.7503 74.9280 74.9860 75.3551 75.6589 75.7600 75.9545 76.1517 76.3042 76.3594 76.4538 76.7329 76.8601 77.1730 77.3046 77.3752 77.5382 77.5901 77.6317 77.8047 77.9794 78.0916 78.4522 78.4842 78.6077 78.8446 78.9446 78.9918 79.1051 79.1561 79.2278 79.3254 79.3610 79.4847 79.6082 79.6939 79.7247 79.8837 80.0896 80.2069 80.2319 80.2932 80.4819 80.5019 80.5884 80.7539 80.8626 81.1235 81.2365 81.3649 81.4581 81.5357 81.7315 81.8522 82.0485 82.1137 82.1777 82.3507 82.4043 82.5281 82.7552 82.8550 82.9536 83.1439 83.3031 83.4338 83.4874 83.6731 83.7595 83.8192 83.8868 84.1349 84.3792 84.4896 84.6049 84.6675 84.7640 84.8691 84.9077 84.9665 85.0467 85.1442 85.2666 85.3208 85.3932 85.4750 85.5687 85.5926 85.7379 85.8922 86.0386 86.0465 86.1062 86.1748 86.2737 86.5174 86.5862 86.7467 86.8929 87.0050 87.1133 87.1778 87.3843 87.4739 87.6559 87.6872 87.7538 87.9498 88.0458 88.0563 88.2255 88.2707 88.4392 88.4984 88.5732 88.7399 88.7958 88.9428 88.9822 89.0885 89.2150 89.3175 89.3327 89.5112 89.6694 89.7535 89.8431 89.8970 89.9621 90.0443 90.1101 90.2633 90.3887 90.4731 90.5439 90.6208 90.7387 90.9787 91.0773 91.2082 91.4434 91.5044 91.7295 91.7749 91.8759 92.0156 92.1918 92.3786 92.4493 92.6331 92.6519 92.8784 92.9059 93.0392 93.1835 93.3783 93.4022 93.5183 93.5550 93.6232 93.6522 93.7944 93.9913 94.1118 94.1790 94.3259 94.3899 94.5663 94.6136 94.7894 94.8785 95.0793 95.1871 95.2873 95.3871 95.5201 95.6064 95.6547 95.7745 95.9459 96.0178 96.1781 96.2142 96.2535 96.5067 96.5604 96.7123 96.7702 96.8118 96.9341 97.0207 97.1034 97.3092 97.4989 97.5850 97.7029 97.9516 98.0443 98.1683 98.2120 98.3484 98.4465 98.5892 98.7465 98.8613 98.8684 98.9461 99.0666 99.1834 99.2943 99.4137 99.7279 99.7679 99.9796 100.0275 100.1782 100.2896 100.3613 100.5088 100.5298 100.9176 101.1209 101.1636 101.2983 101.3128 101.4125 101.6421 101.7690 101.9946 102.0255 102.1884 102.4883 102.5463 102.6219 102.8000 102.9426 103.0457 103.2819 103.3501 103.5603 103.8507 103.8995 104.0584 104.2431 104.4973 104.5334 104.7018 104.9369 104.9717 105.0520 105.2066 105.2672 105.3920 105.4886 105.5459 105.6844 105.8664 105.9861 106.0207 106.0933 106.3095 106.3800 106.5304 106.6681 106.7705 107.0245 107.0487 107.1784 107.1996 107.2746 107.3846 107.5768 107.7071 107.7585 108.0047 108.0567 108.2194 108.3430 108.4100 108.5428 108.6670 108.7624 109.0314 109.2799 109.4205 109.4430 109.6985 109.7212 109.7947 109.9957 110.1758 110.2985 110.3824 110.5167 110.7438 110.9340 111.0732 111.1936 111.3229 111.4008 111.5952 111.6940 111.7745 112.1274 112.2909 112.3340 112.4258 112.5913 112.7175 112.9715 113.2324 113.3477 113.5170 113.5837 113.7385 113.8075 113.8533 113.9073 114.1369 114.2592 114.3504 114.4101 114.6484 114.7172 114.7570 114.8575 115.0913 115.1228 115.2861 115.3588 115.4405 115.5965 115.8583 115.9919 116.1324 116.2306 116.2739 116.3193 116.4484 116.5875 116.7494 116.8356 116.9991 117.1747 117.2500 117.4857 117.6690 117.8951 118.0001 118.0484 118.2716 118.3356 118.3580 118.5814 118.6992 118.7449 118.8278 118.8890 118.9942 119.0799 119.3083 119.4131 119.4897 119.5625 119.7525 119.8300 119.8741 119.9971 120.0887 120.1187 120.3058 120.4193 120.4774 120.5809 120.7663 120.9276 121.0321 121.2213 121.3047 121.4332 121.5963 121.7935 121.8989 122.0939 122.3414 122.5061 122.5483 122.6366 122.8272 123.1413 123.3207 123.6310 123.8641 124.1009 124.4788 124.6335 124.8922 125.1966 125.6750 125.7559 126.0275 126.0936 126.2281 126.4048 126.8638 127.1399 127.1943 127.3164 127.3950 127.4572 127.5556 127.7650 127.8080 127.9423 128.1571 128.2895 128.4875 128.8157 128.8998 129.0577 129.3387 129.3798 129.5619 129.6990 129.8526 130.3898 130.4320 130.5798 130.8357 130.9849 131.1699 131.4646 131.5842 131.7710 131.9429 132.0047 132.0472 132.1059 132.5872 132.7094 132.8073 133.0904 133.2669 133.4163 133.6869 133.9733 134.0209 134.1570 134.2409 134.5219 134.8482 135.0626 135.3660 135.4690 135.5705 135.8180 136.3525 136.5836 136.6062 136.7696 136.9799 137.2806 137.6004 137.8095 137.9659 138.0860 138.4366 138.5355 138.5405 138.5977 138.8473 139.1639 139.4990 139.7305 139.8684 140.0924 140.1546 140.4756 140.7098 141.1622 141.3023 141.9599 142.0971 142.5197 142.7044 143.0494 143.1734 143.4769 143.5546 143.6070 143.9719 144.0510 144.2290 144.3602 144.3798 144.4579 144.6213 144.8582 145.1975 145.5131 146.1514 146.1888 146.5285 146.8666 147.2551 147.3455 147.7418 147.9310 148.0604 148.2110 148.2683 148.3424 148.5053 148.6083 148.7395 149.0369 149.0751 149.3036 149.4982 149.6424 149.8792 150.0093 150.1841 150.3257 150.3730 150.8258 150.8986 151.1722 151.4276 151.6806 152.0404 152.1460 152.3659 152.5727 153.0892 153.3409 153.6166 153.8977 154.0268 154.3108 154.4714 155.0470 155.2809 155.5117 156.1272 156.1548 156.3267 156.4607 156.6137 156.8258 157.0962 157.1192 157.2986 157.6479 157.7213 157.8738 158.0781 158.3098 158.4533 159.2284 159.3363 159.5020 159.8538 160.4597 160.9036 161.9669 162.0310 162.3837 163.1352 163.4137 164.4550 164.7844 168.8038 168.8530 169.5403 170.5337 171.8682 172.7400 174.0494 174.1416 176.4577 179.6890 180.3211 182.4229 186.1142 186.5832 187.7214 188.5902 188.6751 188.9495 189.5199 190.2543 190.3037 191.1884 192.6348 192.8201 192.8917 195.4344 196.0527 200.1491 202.0053 203.5057 205.9220 206.6218 207.6248 212.6106 229.9439 235.9621 241.1545 248.0802 249.1824 338.8484 617.7200 618.4592 624.6152 629.8791 630.8579 631.6212 632.7408 632.8978 634.1942 634.7351 635.1855 635.9342 636.7580 637.2723 637.8872 638.2157 639.7338 642.8976 643.5820 644.0078 646.2857 646.5697 654.3436 655.8418 657.9195 1214.1848 1214.8156 1563.3514 -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 0.484164 -0.218244 -0.326474 -0.330136 -0.275259 -0.141267 -0.108475 -0.452692 -0.441535 -0.081381 -0.162537 -0.108062 0.050735 -0.246614 -0.317895 0.362007 -0.247378 -0.219059 0.216787 -0.182795 0.201142 0.060769 -0.273766 0.286105 -0.250599 -0.188190 -0.119508 -0.146006 -0.188613 0.084248 0.095940 0.091257 0.084042 0.100181 0.100618 0.100820 0.104363 0.113366 0.111192 0.098971 0.077553 0.143364 0.131302 0.134621 0.129996 0.153384 0.141991 0.143723 0.095719 0.092005 0.087109 0.087516 0.088552 0.145717 0.153475 0.157116 0.159089 0.157544 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 13.5158 9.2182 8.3265 8.3301 6.2753 6.1413 6.1085 6.4527 6.4415 6.0814 6.1625 6.1081 5.9493 6.2466 6.3179 5.6380 6.2474 6.2191 5.7832 6.1828 5.7989 5.9392 6.2738 5.7139 6.2506 6.1882 6.1195 6.1460 6.1886 0.9158 0.9041 0.9087 0.9160 0.8998 0.8994 0.8992 0.8956 0.8866 0.8888 0.9010 0.9224 0.8566 0.8687 0.8654 0.8700 0.8466 0.8580 0.8563 0.9043 0.9080 0.9129 0.9125 0.9114 0.8543 0.8465 0.8429 0.8409 0.8425 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 0.4842 -0.2182 -0.3265 -0.3301 -0.2753 -0.1413 -0.1085 -0.4527 -0.4415 -0.0814 -0.1625 -0.1081 0.0507 -0.2466 -0.3179 0.3620 -0.2474 -0.2191 0.2168 -0.1828 0.2011 0.0608 -0.2738 0.2861 -0.2506 -0.1882 -0.1195 -0.1460 -0.1886 0.0842 0.0959 0.0913 0.0840 0.1002 0.1006 0.1008 0.1044 0.1134 0.1112 0.0990 0.0776 0.1434 0.1313 0.1346 0.1300 0.1534 0.1420 0.1437 0.0957 0.0920 0.0871 0.0875 0.0886 0.1457 0.1535 0.1571 0.1591 0.1575 4.0959 1.0696 2.0697 2.0794 3.8427 3.8937 3.6779 3.9012 3.9128 3.8260 3.8686 3.8308 3.6170 3.8661 4.0015 3.6849 3.8870 3.8724 3.6720 3.8432 4.0633 3.7967 3.9758 3.7010 4.0039 3.8928 3.8850 3.8914 3.9069 1.0119 1.0100 0.9983 1.0015 1.0108 1.0099 1.0112 1.0069 1.0088 1.0089 1.0021 1.0092 0.9899 0.9941 1.0135 1.0159 0.9944 0.9989 1.0017 0.9869 0.9858 1.0035 1.0031 1.0059 1.0084 0.9985 0.9893 0.9904 0.9908 4.0959 1.0696 2.0697 2.0794 3.8427 3.8937 3.6779 3.9012 3.9128 3.8260 3.8686 3.8308 3.6170 3.8661 4.0015 3.6849 3.8870 3.8724 3.6720 3.8432 4.0633 3.7967 3.9758 3.7010 4.0039 3.8928 3.8850 3.8914 3.9069 1.0119 1.0100 0.9983 1.0015 1.0108 1.0099 1.0112 1.0069 1.0088 1.0089 1.0021 1.0092 0.9899 0.9941 1.0135 1.0159 0.9944 0.9989 1.0017 0.9869 0.9858 1.0035 1.0031 1.0059 1.0084 0.9985 0.9893 0.9904 0.9908 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.9482 0.9891 0.9571 0.9713 1.0825 1.0922 0.8807 0.9602 0.9518 0.9176 0.9860 0.9796 0.9195 1.0075 1.0050 1.3226 1.2834 0.9771 0.9768 0.9750 0.9736 0.9732 0.9765 0.9258 0.9740 1.0220 1.4348 0.9841 1.4672 1.0028 1.3310 1.3468 1.2991 0.9817 1.3029 1.0155 1.3686 0.9638 1.3833 0.9948 1.3863 1.4265 0.9990 0.9673 0.9743 0.9736 0.9942 0.9938 0.9909 1.3818 1.3450 1.4356 0.9837 1.4149 0.9731 1.4033 0.9790 1.4156 0.9756 0.9822 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 -0.031801434 -1510.100822947630 -24.93422 24.10170 -0.83251 15.76402 -14.21632 1.54771 4.19953 -4.82393 -0.62440 1.86503 4.74054