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:-3.5367,1.3255,.7414;.9244,-4.8227,1.0406;2.0865,3.496,1.2926;2.0301,-3.0894,-.6201;-3.3458,-.346,-.1183;-2.653,-.2787,-1.4767;-1.8165,2.0697,.9283;-4.2785,1.0415,2.4501;-4.6154,2.4904,-.2681;-2.4453,-1.6476,-2.1399;-.809,1.3662,1.6017;-1.4649,3.3025,.3842;-1.5535,-2.5428,-1.3279;.4762,1.8617,1.7187;-.178,3.8226,.4867;.8036,3.0963,1.1533;-.1701,-2.3809,-1.3841;-2.0817,-3.5013,-.4694;.6681,-3.1425,-.5839;-1.2529,-4.2779,.3294;.1084,-4.0839,.2718;2.5129,4.6729,.615;4.0025,4.8115,.8086;2.6948,-1.9184,-.8859;2.2732,-.6849,-.4055;3.8714,-2.0323,-1.6138;3.0408,.44,-.673;4.6334,-.9002,-1.8629;4.2197,.3412,-1.3997;-2.7832,-.9965,.5605;-4.3322,-.8115,-.2224;-1.6798,.2123,-1.3772;-3.236,.3443,-2.1607;-5.2562,.5586,2.3882;-3.6358,.3973,3.0545;-4.4085,1.9786,2.9945;-5.6153,2.0725,-.4021;-4.7331,3.4587,.2225;-4.2034,2.6727,-1.2624;-3.4153,-2.1291,-2.2864;-2.013,-1.4984,-3.1322;-1.0242,.399,2.0443;-2.2037,3.8919,-.1466;1.239,1.295,2.2393;.0357,4.7851,.0419;.2532,-1.65,-2.0632;-3.1533,-3.6466,-.4186;-1.6623,-5.0235,.9989;1.9908,5.5482,1.0134;2.2731,4.6008,-.4499;4.2658,4.8921,1.8636;4.5434,3.9683,.3774;4.3458,5.7177,.3105;1.3622,-.5916,.1726;4.1891,-3.0024,-1.9753;2.7182,1.4012,-.2963;5.5518,-.9927,-2.4279;4.812,1.2244,-1.599; 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 2886.5835630209 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 6.268e-06 Time for diagonalization 0.378 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.357 sec Total time needed 0.743 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:-3.5367,1.3255,.7414;.9244,-4.8227,1.0406;2.0865,3.496,1.2926;2.0301,-3.0894,-.6201;-3.3458,-.346,-.1183;-2.653,-.2787,-1.4767;-1.8165,2.0697,.9283;-4.2785,1.0415,2.4501;-4.6154,2.4904,-.2681;-2.4453,-1.6476,-2.1399;-.809,1.3662,1.6017;-1.4649,3.3025,.3842;-1.5535,-2.5428,-1.3279;.4762,1.8617,1.7187;-.178,3.8226,.4867;.8036,3.0963,1.1533;-.1701,-2.3809,-1.3841;-2.0817,-3.5013,-.4694;.6681,-3.1425,-.5839;-1.2529,-4.2779,.3294;.1084,-4.0839,.2718;2.5129,4.6729,.615;4.0025,4.8115,.8086;2.6948,-1.9184,-.8859;2.2732,-.6849,-.4055;3.8714,-2.0323,-1.6138;3.0408,.44,-.673;4.6334,-.9002,-1.8629;4.2197,.3412,-1.3997;-2.7832,-.9965,.5605;-4.3322,-.8115,-.2224;-1.6798,.2123,-1.3772;-3.236,.3443,-2.1607;-5.2562,.5586,2.3882;-3.6358,.3973,3.0545;-4.4085,1.9786,2.9945;-5.6153,2.0725,-.4021;-4.7331,3.4587,.2225;-4.2034,2.6727,-1.2624;-3.4153,-2.1291,-2.2864;-2.013,-1.4984,-3.1322;-1.0242,.399,2.0443;-2.2037,3.8919,-.1466;1.239,1.295,2.2393;.0357,4.7851,.0419;.2532,-1.65,-2.0632;-3.1533,-3.6466,-.4186;-1.6623,-5.0235,.9989;1.9908,5.5482,1.0134;2.2731,4.6008,-.4499;4.2658,4.8921,1.8636;4.5434,3.9683,.3774;4.3458,5.7177,.3105;1.3622,-.5916,.1726;4.1891,-3.0024,-1.9753;2.7182,1.4012,-.2963;5.5518,-.9927,-2.4279;4.812,1.2244,-1.599; 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:-3.5367,1.3255,.7414;.9244,-4.8227,1.0406;2.0865,3.496,1.2926;2.0301,-3.0894,-.6201;-3.3458,-.346,-.1183;-2.653,-.2787,-1.4767;-1.8165,2.0697,.9283;-4.2785,1.0415,2.4501;-4.6154,2.4904,-.2681;-2.4453,-1.6476,-2.1399;-.809,1.3662,1.6017;-1.4649,3.3025,.3842;-1.5535,-2.5428,-1.3279;.4762,1.8617,1.7187;-.178,3.8226,.4867;.8036,3.0963,1.1533;-.1701,-2.3809,-1.3841;-2.0817,-3.5013,-.4694;.6681,-3.1425,-.5839;-1.2529,-4.2779,.3294;.1084,-4.0839,.2718;2.5129,4.6729,.615;4.0025,4.8115,.8086;2.6948,-1.9184,-.8859;2.2732,-.6849,-.4055;3.8714,-2.0323,-1.6138;3.0408,.44,-.673;4.6334,-.9002,-1.8629;4.2197,.3412,-1.3997;-2.7832,-.9965,.5605;-4.3322,-.8115,-.2224;-1.6798,.2123,-1.3772;-3.236,.3443,-2.1607;-5.2562,.5586,2.3882;-3.6358,.3973,3.0545;-4.4085,1.9786,2.9945;-5.6153,2.0725,-.4021;-4.7331,3.4587,.2225;-4.2034,2.6727,-1.2624;-3.4153,-2.1291,-2.2864;-2.013,-1.4984,-3.1322;-1.0242,.399,2.0443;-2.2037,3.8919,-.1466;1.239,1.295,2.2393;.0357,4.7851,.0419;.2532,-1.65,-2.0632;-3.1533,-3.6466,-.4186;-1.6623,-5.0235,.9989;1.9908,5.5482,1.0134;2.2731,4.6008,-.4499;4.2658,4.8921,1.8636;4.5434,3.9683,.3774;4.3458,5.7177,.3105;1.3622,-.5916,.1726;4.1891,-3.0024,-1.9753;2.7182,1.4012,-.2963;5.5518,-.9927,-2.4279;4.812,1.2244,-1.599; 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 3398 GEPOL Volume 2914.3811 GEPOL Surface-area 1643.4959 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.7s -1510.05475044 2886.58356302 -4396.63831346 -7803.37167339 3406.73335993 -0.02670355 -3013.94902888 1503.89427844 2.00409635 108.999979064547 108.999979064547 217.999958129094 -135.227732428696 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 -1800.5696 -674.8886 -524.7579 -524.2040 -281.9688 -281.6806 -281.5875 -281.3942 -280.8930 -279.9589 -279.8769 -279.8072 -279.8059 -279.7913 -279.7697 -279.7289 -279.7155 -279.7069 -279.6711 -279.6231 -279.5442 -279.5353 -279.3716 -279.3456 -279.1826 -279.1282 -278.7550 -278.6795 -278.6547 -145.6315 -100.6987 -100.6826 -100.6773 -36.7600 -33.0271 -32.3561 -27.0559 -26.6199 -26.4353 -24.9390 -24.2627 -24.1727 -23.6789 -23.5505 -23.4656 -23.0448 -22.7943 -22.0279 -21.3645 -21.3368 -20.7177 -20.4134 -19.9703 -19.5984 -19.3600 -19.0736 -18.6889 -18.4450 -17.9566 -17.5288 -17.5211 -16.8159 -16.3491 -16.1425 -16.0963 -15.9728 -15.6516 -15.6014 -15.3324 -14.8624 -14.8119 -14.7204 -14.6553 -14.4419 -14.3759 -14.2804 -14.0232 -13.8976 -13.7839 -13.6892 -13.6209 -13.4747 -13.3652 -13.2792 -13.1953 -12.9687 -12.8998 -12.8726 -12.8375 -12.5153 -12.4090 -12.3164 -12.1909 -12.1495 -12.0574 -11.6807 -11.4170 -11.3571 -11.2772 -11.1845 -10.4401 -10.3348 -9.9788 -9.5599 -9.4157 -9.3371 -8.9576 -8.3721 -8.3413 1.3237 1.5743 1.6910 1.8148 1.9278 2.1811 3.0213 3.2789 3.5696 3.6665 3.8036 4.0331 4.1121 4.2556 4.3965 4.5033 4.5881 4.6406 4.7886 4.8455 4.9521 5.0075 5.1652 5.2713 5.3859 5.4619 5.4690 5.5552 5.6435 5.8205 5.8824 5.9246 5.9876 6.1196 6.2428 6.2872 6.3644 6.4140 6.4465 6.5991 6.6798 6.7217 6.8547 6.8584 6.9308 7.0006 7.1511 7.2755 7.3449 7.3919 7.4733 7.6112 7.7727 7.8543 7.9410 8.0202 8.0395 8.2062 8.3145 8.3480 8.4820 8.5389 8.6072 8.6933 8.7921 8.9741 9.0677 9.1580 9.2991 9.4084 9.4767 9.5174 9.6245 9.6864 9.8193 9.9143 10.0813 10.1373 10.2203 10.2776 10.3789 10.5190 10.6464 10.7200 10.7903 10.8206 11.0679 11.1247 11.1743 11.3048 11.3517 11.4774 11.5502 11.6761 11.7332 11.8248 11.8801 11.9520 12.0701 12.1499 12.2578 12.3649 12.4096 12.5809 12.6195 12.6892 12.7674 12.8907 12.9896 13.1074 13.1397 13.2244 13.3190 13.4073 13.5042 13.5458 13.6577 13.7366 13.7995 13.8852 13.9038 13.9950 14.0456 14.1289 14.1834 14.2243 14.2940 14.3610 14.4402 14.5207 14.6055 14.6671 14.7047 14.8767 14.9152 14.9791 15.0578 15.1710 15.2244 15.2955 15.3666 15.4603 15.5595 15.6745 15.7294 15.7773 15.8938 15.9772 16.0758 16.1307 16.2656 16.2830 16.4432 16.5530 16.6258 16.7203 16.7407 16.8909 17.1162 17.2377 17.3056 17.3516 17.4197 17.6343 17.7125 17.8615 17.8957 18.0831 18.1872 18.3439 18.4185 18.6352 18.7154 18.8501 18.8930 19.0507 19.1070 19.3178 19.4213 19.4878 19.5480 19.6497 19.9411 19.9683 20.0383 20.0692 20.2912 20.4079 20.4888 20.5895 20.6438 20.7480 20.8689 20.9475 21.0729 21.1691 21.3393 21.4269 21.5457 21.6418 21.8015 21.8943 21.9315 22.0039 22.1690 22.3630 22.4207 22.5251 22.6023 22.7275 22.9213 22.9780 23.1358 23.1832 23.2336 23.4100 23.4976 23.5951 23.7054 23.7839 24.0003 24.0658 24.3270 24.4206 24.4333 24.6420 24.7071 24.8158 25.1184 25.1525 25.2251 25.2983 25.4408 25.4925 25.6637 25.8859 25.9759 26.0544 26.1310 26.3261 26.3454 26.4531 26.5616 26.6423 26.7537 26.8935 27.0130 27.0710 27.2187 27.2893 27.4410 27.5229 27.6143 27.6591 27.7377 27.8117 28.1068 28.1364 28.4126 28.4962 28.6601 28.7444 28.8127 28.9417 29.0371 29.1255 29.2002 29.3661 29.4923 29.6457 29.6677 29.9064 29.9428 30.0950 30.1561 30.2243 30.3651 30.4502 30.6657 30.7306 30.8422 30.8556 31.0701 31.2059 31.3169 31.4893 31.5544 31.7614 31.8213 32.0185 32.0368 32.1534 32.2956 32.4834 32.5963 32.6378 32.8304 32.8859 32.9721 33.1378 33.2804 33.4118 33.5237 33.5904 33.6539 33.7959 33.8265 33.9246 34.1559 34.1877 34.2974 34.3565 34.5216 34.5792 34.8197 34.8850 34.9140 34.9981 35.2337 35.4244 35.6092 35.6904 35.7946 35.9215 36.0244 36.0822 36.2101 36.3433 36.4505 36.5928 36.7384 36.8390 36.9342 37.1463 37.2504 37.4787 37.5483 37.5674 37.7386 37.8730 37.9101 38.0419 38.1461 38.2686 38.3814 38.5745 38.7209 38.8548 38.8912 38.9779 39.0043 39.0964 39.1905 39.3092 39.4014 39.4460 39.5169 39.7023 39.8324 39.8662 40.0181 40.0915 40.2093 40.3098 40.3997 40.6181 40.6928 40.7552 40.9304 41.0122 41.1609 41.2251 41.4297 41.4960 41.6141 41.6520 41.7444 41.8922 42.0030 42.1552 42.2096 42.3521 42.4986 42.6319 42.7565 42.8697 43.0104 43.0585 43.0767 43.1746 43.3002 43.5749 43.6613 43.6992 43.7717 43.9161 44.0492 44.1478 44.2762 44.3386 44.4342 44.5545 44.6818 44.8613 44.9588 45.0391 45.0834 45.1647 45.2950 45.4326 45.5785 45.6268 45.8520 46.0088 46.0719 46.1652 46.2534 46.3312 46.4319 46.5911 46.6689 46.7686 46.8717 46.9418 47.1015 47.2034 47.4776 47.4822 47.7546 47.8253 48.1334 48.2957 48.4123 48.5534 48.6231 48.7517 48.9033 49.0287 49.1687 49.2876 49.3476 49.5898 49.7280 49.9402 49.9877 50.1643 50.3904 50.5363 50.6683 50.8884 51.0251 51.2383 51.5219 51.6000 51.7117 51.9329 51.9919 52.1046 52.3002 52.6751 52.7152 52.8171 53.1459 53.2169 53.3866 53.6529 53.8730 53.8926 54.3138 54.5619 54.6770 54.7471 55.1982 55.6510 55.7525 55.8369 56.1382 56.5095 56.6645 56.8303 56.9618 57.0298 57.3443 57.3851 57.5899 57.7548 57.9254 58.2622 58.3201 58.5538 58.7294 58.8684 58.9347 59.0732 59.2705 59.3872 59.6952 59.8452 59.9441 60.0132 60.3109 60.6730 60.9065 61.1530 61.4110 61.5429 61.9995 62.0828 62.1653 62.4145 62.6422 63.1002 63.2770 63.4997 63.6143 63.9689 64.0516 64.2134 64.2874 64.4235 64.7735 64.9402 65.1682 65.3776 65.5221 65.6281 65.7637 66.4364 66.4678 66.6353 67.0744 67.5244 67.5718 67.5872 67.6633 67.9417 68.0655 68.2414 68.4260 68.6073 68.9515 69.3295 69.4590 69.5189 69.6031 70.1041 70.2891 70.3500 71.1366 71.3166 71.5133 71.5431 71.8563 71.9672 72.2125 72.4811 72.7593 72.8809 72.9680 73.2822 73.4168 73.4633 73.7491 73.9210 74.1587 74.2672 74.4373 74.5248 74.9237 75.0464 75.1352 75.3990 75.7747 75.8404 75.9853 76.3040 76.4089 76.6507 76.8089 76.8569 76.9541 77.1600 77.3458 77.5299 77.5636 77.7559 77.8485 77.9052 78.0072 78.1152 78.3060 78.4044 78.5685 78.8029 78.9317 79.0438 79.1869 79.2362 79.2735 79.3257 79.4370 79.6425 79.6660 79.7821 79.8172 79.9009 79.9739 80.0862 80.2518 80.3656 80.4947 80.6513 80.7530 80.8466 80.9355 81.0642 81.3091 81.3510 81.4894 81.6165 81.7357 81.9467 81.9842 82.0823 82.2646 82.3011 82.3830 82.5776 82.7035 82.7661 82.9862 83.1322 83.2444 83.4834 83.4924 83.6248 83.7739 83.8882 84.0065 84.1137 84.1527 84.2957 84.3136 84.4732 84.6440 84.7638 84.8168 84.8795 85.0454 85.1119 85.1951 85.2950 85.4345 85.4744 85.5911 85.7158 85.7839 85.8414 85.9595 86.0829 86.1352 86.2810 86.4042 86.4500 86.5776 86.7117 86.8442 86.9139 87.0368 87.2381 87.3342 87.4605 87.5739 87.6473 87.7196 87.7685 87.9894 88.1055 88.1803 88.3434 88.3639 88.4819 88.7064 88.7548 88.8930 88.9085 89.0416 89.1342 89.2695 89.3455 89.3996 89.4746 89.5672 89.8140 89.8867 89.9791 90.1163 90.1977 90.3117 90.3840 90.4832 90.5066 90.7111 90.8087 90.8766 91.1157 91.2409 91.3108 91.5083 91.5626 91.6757 91.8834 92.0152 92.1641 92.1992 92.2681 92.3887 92.4936 92.7100 92.7499 92.8272 93.0236 93.1085 93.2295 93.3884 93.4582 93.5358 93.6023 93.7683 93.7989 93.8668 93.9384 94.0234 94.2863 94.4222 94.4754 94.5274 94.6940 94.8101 94.8562 95.0743 95.1060 95.2390 95.3445 95.5482 95.6840 95.7855 95.8121 95.9409 96.0858 96.1232 96.1802 96.5373 96.6171 96.7360 96.8611 97.0115 97.0527 97.2319 97.2683 97.4521 97.6998 97.7272 97.8029 97.9014 98.0495 98.1442 98.2463 98.4808 98.5783 98.6944 98.7823 98.8480 99.0980 99.1467 99.3000 99.4028 99.4083 99.5074 99.6145 99.7771 99.8694 100.0241 100.0828 100.1838 100.4975 100.5776 100.7560 100.7617 100.9937 101.0767 101.1957 101.3204 101.4822 101.6427 101.8788 101.9166 102.0689 102.1969 102.4740 102.7257 102.9273 103.0539 103.1715 103.3654 103.4009 103.6792 103.7435 103.8803 104.0295 104.0712 104.3493 104.4261 104.5820 104.6316 104.8450 105.1107 105.2876 105.3266 105.3817 105.5096 105.6373 105.7041 105.8700 105.9594 106.1613 106.2052 106.3446 106.5164 106.8480 106.8776 107.0228 107.1146 107.1596 107.2178 107.2970 107.4540 107.5784 107.7154 107.8701 107.9856 108.0490 108.1008 108.4199 108.4369 108.5847 108.7093 108.7804 108.9511 109.1428 109.1785 109.2985 109.4548 109.6166 109.6927 109.7784 109.9549 109.9719 110.2863 110.4883 110.6081 110.7140 111.0656 111.1748 111.2039 111.3672 111.4475 111.5033 111.7213 111.7353 111.8667 112.0171 112.1412 112.3097 112.5415 112.6398 112.7783 112.9296 113.0319 113.2116 113.3689 113.4190 113.5183 113.6730 113.7672 113.9751 114.1186 114.2678 114.3783 114.4824 114.6326 114.7098 114.8046 114.9830 115.0428 115.1342 115.3568 115.5109 115.5840 115.7543 115.8445 115.9806 116.0723 116.1222 116.2436 116.4406 116.6382 116.6835 116.8595 117.0135 117.1719 117.3428 117.4724 117.5688 117.6992 117.7892 117.8185 117.9758 118.0662 118.2103 118.3457 118.4346 118.4582 118.5187 118.6445 118.7545 118.7981 119.0434 119.1413 119.2437 119.3654 119.5100 119.6369 119.7112 119.8221 119.9897 120.1103 120.1335 120.3608 120.4889 120.4941 120.5971 120.8237 120.9524 120.9622 121.2713 121.3335 121.5924 121.7372 121.8743 122.0209 122.3141 122.4789 122.7434 122.8778 122.9916 123.1450 123.3565 123.6252 123.6741 123.9129 124.1396 124.6495 124.8454 125.2214 125.6659 126.0601 126.0899 126.2548 126.4409 126.4748 126.6850 126.7372 126.8554 127.1574 127.1923 127.3756 127.4668 127.5500 127.6654 127.8809 128.0515 128.1659 128.4144 128.6224 128.7571 129.0043 129.2302 129.3008 129.6171 129.6899 129.7457 130.3443 130.3745 130.6853 130.8357 130.9738 131.1122 131.3220 131.6237 131.9455 132.0105 132.0914 132.2051 132.2958 132.4393 132.7141 132.8751 132.9999 133.1978 133.4745 133.6292 134.1509 134.2546 134.4436 134.4706 134.6096 135.0762 135.2283 135.4957 135.6859 135.8390 136.2676 136.5057 136.5852 136.7271 136.8565 136.9268 137.0798 137.4260 137.6033 138.0941 138.2575 138.4332 138.5598 138.6922 138.8557 138.9118 139.3753 139.5802 139.7843 139.8997 140.2708 140.4144 140.6447 140.8963 141.0851 141.4533 141.8943 141.9639 142.1010 142.6490 142.8409 143.0754 143.3408 143.5115 143.5893 143.7228 143.9426 144.1348 144.3776 144.5913 144.8169 144.8903 144.9421 145.2615 145.3196 146.0122 146.4581 146.6635 146.8980 146.9573 147.2507 147.5702 147.7842 147.8714 148.2201 148.3008 148.5188 148.6329 148.6431 148.9728 149.0449 149.2453 149.4061 149.6712 149.8190 149.9207 150.2147 150.3794 150.5028 150.8105 150.8697 150.9989 151.1149 151.3970 151.5117 151.7764 151.9704 152.1350 152.1964 153.2725 153.5655 153.7455 154.0068 154.0585 154.4259 154.9433 155.3363 155.4242 155.7219 156.0076 156.1815 156.3716 156.4618 156.6173 156.8932 157.0342 157.1494 157.3005 157.4146 157.5506 157.7883 158.0146 158.2717 158.4203 158.6655 159.0514 159.2805 159.4287 160.6747 160.9286 161.7856 161.9269 162.2496 162.8394 163.0485 164.3948 165.2193 168.4980 168.6677 169.5411 170.6386 171.8362 172.5214 173.8868 174.1177 176.2892 179.6577 180.3517 182.5806 186.4274 187.0938 187.4000 188.2082 188.6259 189.3688 189.4582 190.1059 190.3579 191.0670 192.2373 192.7090 192.8101 194.9192 195.9318 199.9911 202.0477 203.4136 205.8611 206.5369 207.7097 212.4901 229.8569 235.8038 241.0327 247.9678 248.7880 339.0654 617.5879 619.1769 621.0285 629.6297 630.1310 631.5341 632.3300 632.6711 634.2995 634.5170 635.2889 635.3850 636.9077 637.0147 637.5074 638.5931 639.9140 640.1416 643.0440 643.3172 645.9422 646.7733 654.0641 655.5979 658.1760 1214.0099 1214.7755 1563.1254 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 0.500181 -0.221646 -0.346465 -0.336877 -0.266805 -0.130285 -0.188326 -0.430463 -0.450141 -0.093807 -0.094786 -0.134022 0.042595 -0.329939 -0.245275 0.363083 -0.241069 -0.245520 0.244078 -0.139593 0.160408 0.048801 -0.273076 0.336068 -0.265040 -0.277837 -0.065097 -0.087804 -0.257040 0.082454 0.089625 0.075946 0.087445 0.103288 0.101672 0.103030 0.110712 0.108105 0.103837 0.086869 0.095223 0.137169 0.146150 0.140717 0.141191 0.149434 0.145992 0.151196 0.110166 0.098850 0.087651 0.085588 0.091914 0.157898 0.145882 0.168845 0.161364 0.157487 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 13.4998 9.2216 8.3465 8.3369 6.2668 6.1303 6.1883 6.4305 6.4501 6.0938 6.0948 6.1340 5.9574 6.3299 6.2453 5.6369 6.2411 6.2455 5.7559 6.1396 5.8396 5.9512 6.2731 5.6639 6.2650 6.2778 6.0651 6.0878 6.2570 0.9175 0.9104 0.9241 0.9126 0.8967 0.8983 0.8970 0.8893 0.8919 0.8962 0.9131 0.9048 0.8628 0.8538 0.8593 0.8588 0.8506 0.8540 0.8488 0.8898 0.9012 0.9123 0.9144 0.9081 0.8421 0.8541 0.8312 0.8386 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 0.5002 -0.2216 -0.3465 -0.3369 -0.2668 -0.1303 -0.1883 -0.4305 -0.4501 -0.0938 -0.0948 -0.1340 0.0426 -0.3299 -0.2453 0.3631 -0.2411 -0.2455 0.2441 -0.1396 0.1604 0.0488 -0.2731 0.3361 -0.2650 -0.2778 -0.0651 -0.0878 -0.2570 0.0825 0.0896 0.0759 0.0874 0.1033 0.1017 0.1030 0.1107 0.1081 0.1038 0.0869 0.0952 0.1372 0.1462 0.1407 0.1412 0.1494 0.1460 0.1512 0.1102 0.0988 0.0877 0.0856 0.0919 0.1579 0.1459 0.1688 0.1614 0.1575 4.1318 1.0614 2.0517 2.0763 3.8371 3.8629 3.7531 3.8953 3.9228 3.8502 3.8208 3.8776 3.6269 3.9979 3.9084 3.6877 3.9215 3.8811 3.6571 3.8592 4.0620 3.7860 3.9736 3.6964 3.9601 4.0146 3.7909 3.8498 3.9887 1.0128 1.0159 1.0062 1.0082 1.0086 1.0086 1.0084 1.0085 1.0076 1.0065 1.0086 1.0075 0.9915 0.9887 1.0114 1.0113 1.0027 1.0013 0.9963 0.9877 0.9875 1.0034 1.0023 1.0058 0.9995 1.0088 0.9698 0.9873 0.9944 4.1318 1.0614 2.0517 2.0763 3.8371 3.8629 3.7531 3.8953 3.9228 3.8502 3.8208 3.8776 3.6269 3.9979 3.9084 3.6877 3.9215 3.8811 3.6571 3.8592 4.0620 3.7860 3.9736 3.6964 3.9601 4.0146 3.7909 3.8498 3.9887 1.0128 1.0159 1.0062 1.0082 1.0086 1.0086 1.0084 1.0085 1.0076 1.0065 1.0086 1.0075 0.9915 0.9887 1.0114 1.0113 1.0027 1.0013 0.9963 0.9877 0.9875 1.0034 1.0023 1.0058 0.9995 1.0088 0.9698 0.9873 0.9944 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.9593 1.0097 0.9608 0.9803 1.0581 1.0612 0.8693 0.9656 0.9387 0.9087 0.9809 0.9813 0.9301 1.0058 0.9994 1.3000 1.3396 0.9733 0.9743 0.9745 0.9718 0.9741 0.9748 0.8843 1.0199 1.0120 1.4655 0.9916 1.4465 0.9714 1.3799 1.3408 1.3034 1.0079 1.3254 0.9746 1.3664 0.9579 1.3888 0.9987 1.3614 1.4471 0.9842 0.9637 0.9741 0.9787 0.9936 0.9941 0.9917 1.3838 1.3740 1.3895 0.9534 1.4240 0.9873 1.4208 0.9528 1.4126 0.9791 0.9886 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 -0.030790889 -1510.085541328039 -15.38779 14.59075 -0.79704 31.65301 -29.84267 1.81034 -3.00877 1.90379 -1.10498 2.26574 5.75906