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:-3.6306,1.0985,1.0746;.8303,-1.9031,-3.534;1.8666,2.8985,-.7169;1.8489,-1.0644,-1.2451;-3.5942,-.7747,.8473;-2.5714,-1.4661,1.7528;-1.932,1.7231,.5518;-3.9418,1.5444,2.8754;-4.961,1.8481,-.0273;-2.0602,-2.8015,1.2003;-1.4126,1.4049,-.7101;-1.1096,2.4679,1.3931;-1.2808,-2.6192,-.0729;-.1529,1.8101,-1.1089;.1622,2.8875,1.0163;.6495,2.5609,-.2461;-.0488,-1.9678,-.0373;-1.7849,-3.0268,-1.3035;.6689,-1.7392,-1.1999;-1.0824,-2.7887,-2.4784;.1355,-2.1505,-2.4143;2.7712,3.6339,.0985;2.4815,5.1194,.1054;2.8007,-1.2561,-.2822;3.5747,-.1528,.0471;3.0405,-2.4919,.3058;4.5917,-.285,.9802;4.0545,-2.6057,1.2465;4.8317,-1.5081,1.5912;-4.5884,-1.2063,1.0009;-3.3586,-.9576,-.2077;-3.0138,-1.6363,2.7375;-1.7043,-.8202,1.9284;-3.1781,1.1365,3.5407;-3.973,2.6244,3.0338;-4.9032,1.145,3.2071;-5.9529,1.4673,.2271;-4.9949,2.9358,.0651;-4.7868,1.6169,-1.0806;-1.4271,-3.2794,1.9531;-2.9025,-3.4752,1.0241;-1.9983,.8162,-1.409;-1.4538,2.743,2.3838;.2222,1.546,-2.0906;.7473,3.4643,1.7198;.3516,-1.6275,.911;-2.7416,-3.5316,-1.3534;-1.4779,-3.1016,-3.4364;3.7534,3.4534,-.3394;2.7976,3.2266,1.1135;1.5121,5.3598,.5422;3.2445,5.631,.6937;2.5117,5.5282,-.9052;3.3825,.7975,-.4328;2.4522,-3.3608,.0395;5.1933,.5785,1.2334;4.2394,-3.5678,1.7067;5.62,-1.607,2.3256; 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 2975.0416392184 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 5.418e-06 Time for diagonalization 0.800 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.765 sec Total time needed 1.580 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:-3.6306,1.0985,1.0746;.8303,-1.9031,-3.534;1.8666,2.8985,-.7169;1.8489,-1.0644,-1.2451;-3.5942,-.7747,.8473;-2.5714,-1.4661,1.7528;-1.932,1.7231,.5518;-3.9418,1.5444,2.8754;-4.961,1.8481,-.0273;-2.0602,-2.8015,1.2003;-1.4126,1.4049,-.7101;-1.1096,2.4679,1.3931;-1.2808,-2.6192,-.0729;-.1529,1.8101,-1.1089;.1622,2.8875,1.0163;.6495,2.5609,-.2461;-.0488,-1.9678,-.0373;-1.7849,-3.0268,-1.3035;.6689,-1.7392,-1.1999;-1.0824,-2.7887,-2.4784;.1355,-2.1505,-2.4143;2.7712,3.6339,.0985;2.4815,5.1194,.1054;2.8007,-1.2561,-.2822;3.5747,-.1528,.0471;3.0405,-2.4919,.3058;4.5917,-.285,.9802;4.0545,-2.6057,1.2465;4.8317,-1.5081,1.5912;-4.5884,-1.2063,1.0009;-3.3586,-.9576,-.2077;-3.0138,-1.6363,2.7375;-1.7043,-.8202,1.9284;-3.1781,1.1365,3.5407;-3.973,2.6244,3.0338;-4.9032,1.145,3.2071;-5.9529,1.4673,.2271;-4.9949,2.9358,.0651;-4.7868,1.6169,-1.0806;-1.4271,-3.2794,1.9531;-2.9025,-3.4752,1.0241;-1.9983,.8162,-1.409;-1.4538,2.743,2.3838;.2222,1.546,-2.0906;.7473,3.4643,1.7198;.3516,-1.6275,.911;-2.7416,-3.5316,-1.3534;-1.4779,-3.1016,-3.4364;3.7534,3.4534,-.3394;2.7976,3.2266,1.1135;1.5121,5.3598,.5422;3.2445,5.631,.6937;2.5117,5.5282,-.9052;3.3825,.7975,-.4328;2.4522,-3.3608,.0395;5.1933,.5785,1.2334;4.2394,-3.5678,1.7067;5.62,-1.607,2.3256; 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:-3.6306,1.0985,1.0746;.8303,-1.9031,-3.534;1.8666,2.8985,-.7169;1.8489,-1.0644,-1.2451;-3.5942,-.7747,.8473;-2.5714,-1.4661,1.7528;-1.932,1.7231,.5518;-3.9418,1.5444,2.8754;-4.961,1.8481,-.0273;-2.0602,-2.8015,1.2003;-1.4126,1.4049,-.7101;-1.1096,2.4679,1.3931;-1.2808,-2.6192,-.0729;-.1529,1.8101,-1.1089;.1622,2.8875,1.0163;.6495,2.5609,-.2461;-.0488,-1.9678,-.0373;-1.7849,-3.0268,-1.3035;.6689,-1.7392,-1.1999;-1.0824,-2.7887,-2.4784;.1355,-2.1505,-2.4143;2.7712,3.6339,.0985;2.4815,5.1194,.1054;2.8007,-1.2561,-.2822;3.5747,-.1528,.0471;3.0405,-2.4919,.3058;4.5917,-.285,.9802;4.0545,-2.6057,1.2465;4.8317,-1.5081,1.5912;-4.5884,-1.2063,1.0009;-3.3586,-.9576,-.2077;-3.0138,-1.6363,2.7375;-1.7043,-.8202,1.9284;-3.1781,1.1365,3.5407;-3.973,2.6244,3.0338;-4.9032,1.145,3.2071;-5.9529,1.4673,.2271;-4.9949,2.9358,.0651;-4.7868,1.6169,-1.0806;-1.4271,-3.2794,1.9531;-2.9025,-3.4752,1.0241;-1.9983,.8162,-1.409;-1.4538,2.743,2.3838;.2222,1.546,-2.0906;.7473,3.4643,1.7198;.3516,-1.6275,.911;-2.7416,-3.5316,-1.3534;-1.4779,-3.1016,-3.4364;3.7534,3.4534,-.3394;2.7976,3.2266,1.1135;1.5121,5.3598,.5422;3.2445,5.631,.6937;2.5117,5.5282,-.9052;3.3825,.7975,-.4328;2.4522,-3.3608,.0395;5.1933,.5785,1.2334;4.2394,-3.5678,1.7067;5.62,-1.607,2.3256; 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 3378 GEPOL Volume 2928.2461 GEPOL Surface-area 1640.5458 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 1.1s) Overall time for CPCM initialization 1.3s -1510.06878805 2975.04163922 -4485.11042727 -7981.06113373 3495.95070646 -0.02406623 -3013.98543783 1503.91664978 2.00409074 109.000281489144 109.000281489144 218.000562978287 -135.233804404955 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 -1800.5703 -674.8597 -524.6987 -524.1380 -281.9542 -281.6162 -281.5538 -281.3759 -280.9211 -279.9673 -279.8834 -279.8155 -279.7985 -279.7806 -279.7543 -279.6988 -279.6802 -279.6739 -279.6729 -279.6131 -279.5134 -279.4671 -279.4129 -279.3662 -279.1890 -279.0884 -278.7592 -278.6979 -278.6713 -145.6328 -100.6996 -100.6859 -100.6767 -36.7446 -33.0477 -32.3154 -27.0474 -26.6063 -26.3881 -24.9521 -24.1964 -24.1666 -23.6615 -23.5212 -23.4143 -23.0442 -22.8503 -22.0580 -21.3615 -21.3518 -20.7092 -20.4861 -19.9624 -19.6295 -19.4501 -19.0565 -18.6304 -18.4664 -17.9793 -17.5220 -17.3296 -16.8003 -16.3450 -16.1289 -16.1080 -15.9948 -15.6069 -15.3408 -15.1015 -14.9183 -14.8311 -14.7459 -14.7291 -14.5112 -14.3472 -14.2384 -14.1930 -13.9666 -13.9116 -13.7179 -13.6470 -13.4552 -13.3149 -13.2796 -13.1276 -12.9901 -12.9012 -12.7931 -12.7516 -12.7258 -12.5083 -12.3047 -12.2508 -12.0337 -11.8006 -11.6679 -11.4285 -11.3830 -11.2648 -11.1626 -10.4630 -10.3363 -9.9227 -9.5978 -9.4216 -9.2344 -8.9187 -8.3676 -8.2668 1.3222 1.6062 1.7224 1.8407 1.9500 2.2031 3.0885 3.4245 3.4931 3.6844 3.7704 3.9480 4.0437 4.2039 4.2475 4.4797 4.6149 4.7240 4.7923 4.8767 4.9832 5.0422 5.1415 5.1731 5.3226 5.3719 5.5193 5.5890 5.6476 5.8285 5.8788 5.9070 5.9621 6.0430 6.0981 6.1725 6.2353 6.3846 6.4520 6.4659 6.5594 6.6240 6.8550 6.9064 6.9653 7.0670 7.1445 7.2112 7.3412 7.4485 7.4989 7.6485 7.7926 7.7993 7.8282 8.0704 8.1101 8.2221 8.3341 8.3964 8.4719 8.5723 8.6131 8.7835 8.9603 9.0833 9.1808 9.1995 9.2861 9.4541 9.4759 9.5204 9.6525 9.7334 9.8947 10.0768 10.1469 10.2334 10.3375 10.4024 10.4705 10.6721 10.6885 10.7118 10.7818 10.8985 10.9923 11.2385 11.3202 11.4322 11.4430 11.5598 11.5833 11.6562 11.7579 11.8497 11.9069 12.0107 12.1561 12.2045 12.2782 12.3437 12.4300 12.6210 12.6496 12.7813 12.9351 13.0208 13.1124 13.1810 13.2306 13.3577 13.3789 13.4594 13.5782 13.6725 13.7034 13.7540 13.8246 13.8834 13.9716 14.0272 14.0644 14.0956 14.2878 14.3146 14.3814 14.4968 14.5096 14.5949 14.6545 14.7007 14.7638 14.8763 14.9693 15.0679 15.0983 15.2066 15.2360 15.3152 15.3814 15.5021 15.5663 15.6336 15.7450 15.7938 15.8986 15.9518 16.0260 16.1179 16.2071 16.2799 16.4149 16.5802 16.7100 16.8022 16.8075 16.8710 17.0384 17.2224 17.2364 17.4389 17.4514 17.7407 17.7472 17.8345 18.0224 18.1097 18.1916 18.2874 18.4607 18.5075 18.5572 18.7243 19.0693 19.2040 19.2827 19.4370 19.4690 19.5176 19.6570 19.7667 19.8694 20.0659 20.1539 20.2831 20.3088 20.3906 20.4227 20.6924 20.8502 20.8791 21.1193 21.1869 21.1999 21.3198 21.4844 21.5102 21.5871 21.6252 21.6676 21.7605 21.9572 22.0753 22.1512 22.2382 22.4376 22.5477 22.5810 22.7487 22.9053 22.9766 23.0566 23.1777 23.3456 23.3974 23.6078 23.6925 23.8232 23.8517 24.0986 24.2019 24.4368 24.4901 24.6956 24.8845 24.9856 25.1047 25.2402 25.3905 25.4915 25.5759 25.7377 25.8142 25.8930 26.0302 26.1696 26.2776 26.4776 26.5455 26.6148 26.6320 26.7171 26.8066 26.9524 26.9893 27.2602 27.3708 27.4578 27.5688 27.8183 27.8959 28.0402 28.2142 28.3027 28.3677 28.4562 28.6056 28.6982 28.7777 28.9078 29.0522 29.1079 29.1550 29.3082 29.4366 29.5459 29.7609 29.7956 29.9107 29.9490 30.1225 30.1952 30.2658 30.3227 30.3662 30.4779 30.6895 30.7494 30.8802 31.0648 31.0933 31.1974 31.3976 31.5395 31.7094 31.7981 31.8849 32.0415 32.1225 32.2138 32.2851 32.5649 32.6282 32.7169 32.7814 32.9057 32.9959 33.1856 33.2821 33.3530 33.5003 33.5797 33.6258 33.7515 33.8695 33.9669 34.0048 34.2584 34.3737 34.4512 34.6641 34.7612 35.0378 35.1262 35.2444 35.2800 35.3126 35.4353 35.6375 35.7011 35.8400 35.8914 36.0011 36.2657 36.3489 36.4646 36.4842 36.7655 36.8422 36.9406 37.0003 37.2927 37.2973 37.3716 37.4658 37.6216 37.7822 37.8284 37.9675 38.1003 38.2101 38.2769 38.3611 38.4838 38.6572 38.7264 38.8908 38.9610 39.0813 39.1169 39.2538 39.3610 39.3700 39.6131 39.6864 39.7597 39.7996 39.9720 40.0613 40.2204 40.2531 40.3573 40.5347 40.6512 40.7009 40.7202 41.0083 41.1149 41.2033 41.2952 41.3672 41.4328 41.5677 41.6584 41.8646 41.9992 42.0629 42.2385 42.3159 42.4840 42.5289 42.6048 42.7156 42.7433 42.8882 42.9972 43.2366 43.2700 43.4985 43.5170 43.6189 43.7175 43.7414 43.8749 43.9782 44.0564 44.2329 44.3458 44.4387 44.5861 44.6222 44.7736 44.9272 45.0299 45.0890 45.1791 45.2697 45.3266 45.4387 45.6461 45.7448 45.7819 45.9057 46.0271 46.1747 46.4112 46.5212 46.6446 46.6648 46.7630 46.9457 47.0589 47.1579 47.4450 47.4618 47.5604 47.6359 47.9740 48.0700 48.1839 48.3213 48.4423 48.6579 48.8597 48.8844 49.0037 49.1189 49.3184 49.4527 49.5851 49.6276 50.0901 50.2975 50.3554 50.4284 50.5664 50.7345 50.9848 51.1481 51.3681 51.4481 51.6669 51.8724 52.0954 52.2128 52.4257 52.4860 52.6294 52.9104 53.1171 53.2152 53.2805 53.4014 53.4707 53.6817 54.0223 54.4204 54.4594 54.5682 54.7740 55.0352 55.4202 55.4809 55.8978 56.0930 56.3722 56.4593 56.4756 56.7459 57.1273 57.2584 57.3139 57.4359 57.5903 57.8516 58.0085 58.4111 58.5402 58.7233 58.8806 58.9245 59.0237 59.4740 59.7599 59.8503 59.9341 60.2142 60.3811 60.5831 60.6651 60.9214 61.1229 61.4565 61.5571 61.9607 62.1348 62.3367 62.9035 62.9524 63.1095 63.2089 63.2918 63.6506 63.7533 63.9420 64.3758 64.5010 64.7133 64.8974 65.0315 65.2860 65.3988 65.5053 65.6298 65.8636 66.0130 66.3857 66.8581 66.9837 67.2580 67.3709 67.6281 67.6802 67.8148 68.0268 68.3422 68.4285 68.6032 68.9480 69.0813 69.3069 69.4713 69.7261 70.0919 70.2391 70.6414 70.6510 71.0721 71.2875 71.6711 71.7335 71.9891 72.2963 72.5779 72.7089 72.7886 72.9219 73.0322 73.4605 73.6652 73.8000 74.0046 74.1934 74.2295 74.3589 74.4261 74.7381 74.9967 75.1304 75.2436 75.3589 75.5796 75.8581 76.0263 76.2215 76.4248 76.5026 76.5690 76.9132 77.0567 77.2248 77.2961 77.6308 77.6985 77.8398 77.9236 78.0056 78.2650 78.4575 78.4832 78.5655 78.7088 78.8319 78.9768 79.1041 79.1677 79.3264 79.3990 79.4486 79.5271 79.6623 79.7718 79.8639 79.9379 80.0449 80.0909 80.2132 80.2531 80.4678 80.4836 80.5381 80.7562 81.0094 81.0703 81.2140 81.4069 81.5204 81.6691 81.7019 81.8564 81.8989 82.0007 82.2366 82.2643 82.4256 82.5794 82.6714 82.8250 82.9787 83.1256 83.2911 83.3566 83.4588 83.6439 83.7425 83.8640 84.0469 84.0846 84.2291 84.3633 84.5129 84.5791 84.6858 84.8938 84.9291 85.0732 85.0991 85.2013 85.2677 85.3991 85.6155 85.7308 85.8313 85.8840 85.9162 86.0315 86.1119 86.2014 86.2895 86.4050 86.4275 86.5630 86.7016 86.8166 86.8902 87.0261 87.2052 87.4320 87.5421 87.5575 87.6460 87.7625 87.9420 87.9648 88.1199 88.1576 88.2944 88.3746 88.4678 88.5417 88.5961 88.7725 88.8002 88.9339 89.1563 89.1693 89.2638 89.4007 89.4758 89.5689 89.6662 89.7606 89.8311 89.9854 90.0241 90.1059 90.2289 90.2546 90.3513 90.4676 90.5464 90.6202 90.8278 90.9687 91.0769 91.1828 91.3281 91.4747 91.5806 91.7597 91.9385 92.0264 92.2989 92.4149 92.4961 92.7025 92.7786 92.8399 92.9601 93.1488 93.2198 93.3899 93.5182 93.5291 93.7040 93.8070 93.8444 93.9452 93.9611 94.1312 94.1978 94.2431 94.4739 94.5659 94.7199 94.8848 94.9169 94.9937 95.1372 95.2288 95.2926 95.4509 95.5342 95.6248 95.8750 95.9331 96.1040 96.1749 96.3430 96.4018 96.6095 96.6553 96.7416 96.7454 96.9152 97.1812 97.2933 97.3960 97.5947 97.7286 97.7358 97.8150 97.9643 97.9959 98.1835 98.4278 98.4680 98.6043 98.7385 98.8398 98.9203 99.0381 99.0818 99.1826 99.3027 99.3492 99.4723 99.5766 99.7796 99.8132 99.9252 100.1724 100.2934 100.4219 100.4790 100.5919 100.8223 101.0939 101.1301 101.2564 101.4368 101.5482 101.7031 101.7612 101.8572 102.0210 102.1466 102.3088 102.5170 102.6255 102.6885 102.7851 102.9730 103.2031 103.4974 103.5850 103.7352 103.7696 104.0801 104.1389 104.2160 104.2724 104.5278 104.6235 104.8091 105.0843 105.2591 105.3769 105.4883 105.5464 105.6644 105.7010 105.7947 105.9719 106.0530 106.2888 106.3624 106.4748 106.5026 106.7120 106.8136 106.9460 107.0919 107.2005 107.2798 107.5354 107.7036 107.7824 107.9446 108.0239 108.0697 108.1750 108.3839 108.4769 108.6104 108.6843 108.9754 109.0336 109.1581 109.2953 109.4249 109.6089 109.6994 109.8734 109.9602 110.0255 110.1185 110.3760 110.5459 110.7540 110.7870 111.0573 111.1880 111.3155 111.4708 111.5707 111.6887 111.7220 111.8959 112.0746 112.2124 112.2790 112.4078 112.7123 112.7255 112.8580 112.9375 113.1590 113.3393 113.4878 113.5667 113.6722 113.8932 114.0273 114.1333 114.2599 114.3713 114.5191 114.6544 114.7260 114.8777 114.9531 115.0909 115.1923 115.3759 115.4482 115.7236 115.7549 115.9510 115.9929 116.1669 116.3299 116.4578 116.5764 116.5839 116.6771 116.7679 117.0375 117.1045 117.1917 117.4277 117.5612 117.7352 117.8916 117.9650 118.0546 118.1404 118.2323 118.3896 118.4533 118.5790 118.7176 118.8154 118.9176 118.9550 119.0123 119.1543 119.3286 119.3835 119.5411 119.6262 119.6689 119.8633 119.9446 120.1130 120.1994 120.2850 120.4222 120.6228 120.7818 120.8970 120.9539 121.0214 121.2495 121.3861 121.4192 121.6063 121.7548 122.1029 122.2169 122.4020 122.5300 122.8029 123.0546 123.2768 123.3370 123.4445 123.6889 123.7287 124.1006 124.3006 124.5451 124.9093 125.1731 125.5063 125.8322 126.0950 126.3970 126.4853 126.5385 126.7117 126.7592 127.0086 127.0968 127.3309 127.4705 127.5316 127.6597 127.8437 128.1304 128.3254 128.4129 128.5729 128.6398 128.9651 129.1982 129.3431 129.4211 129.6387 129.7363 129.8224 130.1031 130.3393 130.7479 130.8262 130.9479 131.1534 131.2792 131.4656 131.8506 131.9360 132.0468 132.0788 132.3204 132.4252 132.6178 132.7193 132.9424 133.0978 133.3008 133.7471 133.8994 134.0629 134.5047 134.8421 134.8866 135.1548 135.4715 135.5201 135.8527 135.9446 136.1236 136.3467 136.4299 136.7644 137.0649 137.2224 137.3751 137.5026 137.6974 138.1525 138.2525 138.3874 138.7052 138.7841 138.9965 139.1054 139.1801 139.5994 139.8335 139.9637 140.1105 140.4422 140.4852 141.1397 141.4078 141.7131 141.7403 141.9370 142.0790 142.6981 142.9000 142.9999 143.4203 143.5655 143.6113 143.6448 143.9863 144.0633 144.2055 144.3824 144.4918 144.8214 144.8694 145.2180 145.4183 145.9350 146.2037 146.3043 146.9553 147.2003 147.2764 147.6139 147.8180 147.9893 148.2211 148.2555 148.4806 148.5587 148.9665 149.1123 149.1858 149.3752 149.4545 149.4993 149.7348 149.8795 150.0105 150.2773 150.4733 150.6721 150.8865 151.0549 151.2182 151.4582 151.7001 151.9030 151.9429 152.2022 152.7098 152.9117 153.2720 153.4560 153.6780 153.8208 154.0537 154.3784 154.5996 155.4386 155.7182 155.9473 156.0362 156.1339 156.3519 156.6581 156.9341 156.9531 157.0887 157.2755 157.3730 157.4970 157.9116 158.0273 158.4167 158.5685 159.0109 159.2928 159.5668 159.8453 160.6214 161.2550 161.5462 162.0675 162.1748 163.1816 163.3238 164.4310 164.9069 168.1456 169.0169 169.6097 170.7565 171.7691 172.7533 174.1316 174.3884 176.5555 180.6145 181.3501 182.7416 186.6532 186.9992 187.4005 188.3923 188.9949 189.3303 189.5024 190.4787 190.9970 191.3317 192.3186 192.8139 193.8838 195.4414 196.0612 200.1251 202.3835 202.6107 206.2194 207.1048 208.3802 212.6952 229.9317 235.9756 241.1645 248.0802 249.0737 339.0467 619.0796 619.2594 622.1104 629.8602 630.4909 631.7779 632.6280 632.9386 634.3394 634.8325 635.2771 635.4526 637.0242 637.4093 637.6249 638.5908 640.0114 640.3539 642.6497 643.3544 645.9682 646.4497 654.1830 655.6916 658.1566 1213.6700 1217.1775 1563.7061 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 0.482035 -0.219011 -0.339687 -0.328685 -0.267147 -0.133541 -0.174870 -0.445189 -0.424397 -0.091911 -0.110894 -0.129726 0.024388 -0.301450 -0.229971 0.352460 -0.194112 -0.204153 0.185550 -0.155096 0.188684 0.036907 -0.259859 0.296417 -0.262516 -0.195244 -0.136832 -0.152432 -0.179932 0.093762 0.073677 0.092711 0.073715 0.105687 0.107275 0.109651 0.101460 0.101488 0.100304 0.098590 0.082445 0.130413 0.140437 0.129809 0.135861 0.145031 0.142326 0.147059 0.108940 0.091110 0.090180 0.093404 0.088520 0.162342 0.153593 0.154654 0.158986 0.156786 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 13.5180 9.2190 8.3397 8.3287 6.2671 6.1335 6.1749 6.4452 6.4244 6.0919 6.1109 6.1297 5.9756 6.3015 6.2300 5.6475 6.1941 6.2042 5.8144 6.1551 5.8113 5.9631 6.2599 5.7036 6.2625 6.1952 6.1368 6.1524 6.1799 0.9062 0.9263 0.9073 0.9263 0.8943 0.8927 0.8903 0.8985 0.8985 0.8997 0.9014 0.9176 0.8696 0.8596 0.8702 0.8641 0.8550 0.8577 0.8529 0.8911 0.9089 0.9098 0.9066 0.9115 0.8377 0.8464 0.8453 0.8410 0.8432 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 0.4820 -0.2190 -0.3397 -0.3287 -0.2671 -0.1335 -0.1749 -0.4452 -0.4244 -0.0919 -0.1109 -0.1297 0.0244 -0.3015 -0.2300 0.3525 -0.1941 -0.2042 0.1856 -0.1551 0.1887 0.0369 -0.2599 0.2964 -0.2625 -0.1952 -0.1368 -0.1524 -0.1799 0.0938 0.0737 0.0927 0.0737 0.1057 0.1073 0.1097 0.1015 0.1015 0.1003 0.0986 0.0824 0.1304 0.1404 0.1298 0.1359 0.1450 0.1423 0.1471 0.1089 0.0911 0.0902 0.0934 0.0885 0.1623 0.1536 0.1547 0.1590 0.1568 4.1344 1.0654 2.0496 2.0313 3.8419 3.8739 3.7427 3.9174 3.8985 3.8623 3.8241 3.8701 3.6533 4.0054 3.9237 3.6925 3.8418 3.8601 3.5818 3.8763 4.0645 3.8366 3.9505 3.7419 3.9503 3.9094 3.9120 3.8972 3.9114 1.0144 1.0180 1.0067 1.0039 1.0055 1.0083 1.0087 1.0097 1.0088 1.0095 1.0045 1.0076 0.9911 0.9890 1.0196 1.0086 1.0069 1.0025 0.9981 0.9873 0.9934 1.0025 1.0078 1.0050 1.0115 0.9990 0.9926 0.9904 0.9907 4.1344 1.0654 2.0496 2.0313 3.8419 3.8739 3.7427 3.9174 3.8985 3.8623 3.8241 3.8701 3.6533 4.0054 3.9237 3.6925 3.8418 3.8601 3.5818 3.8763 4.0645 3.8366 3.9505 3.7419 3.9503 3.9094 3.9120 3.8972 3.9114 1.0144 1.0180 1.0067 1.0039 1.0055 1.0083 1.0087 1.0097 1.0088 1.0095 1.0045 1.0076 0.9911 0.9890 1.0196 1.0086 1.0069 1.0025 0.9981 0.9873 0.9934 1.0025 1.0078 1.0050 1.0115 0.9990 0.9926 0.9904 0.9907 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.9481 1.0099 0.9768 0.9640 1.0626 1.0543 0.8795 0.8891 0.9766 0.9106 0.9790 0.9862 0.9228 0.9929 1.0105 1.2899 1.3413 0.9728 0.9748 0.9720 0.9733 0.9743 0.9756 0.9083 1.0066 1.0126 1.4432 1.0025 1.4488 0.9736 1.3540 1.3632 1.3265 1.0063 1.3127 0.9781 1.3327 0.9813 1.3840 0.9951 1.3772 1.4547 0.9874 0.9623 0.9758 0.9890 0.9923 0.9882 0.9907 1.3844 1.3549 1.4396 0.9557 1.4194 0.9737 1.4115 0.9812 1.4174 0.9758 0.9841 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 -0.033328308 -1510.102116360025 -16.09214 15.87738 -0.21477 16.10252 -16.10040 0.00212 21.97136 -20.18264 1.78872 1.80156 4.57921