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:-3.6172,.7767,1.3822;1.4935,.4236,-3.1949;2.1716,2.363,.5608;2.0684,-.559,-.797;-3.8361,-.7056,.2355;-2.9686,-1.9025,.6472;-1.8295,1.3261,1.1487;-3.9024,.2847,3.1755;-4.7827,2.1675,.8794;-2.3777,-2.6668,-.5413;-.841,1.1332,2.1183;-1.4186,1.8897,-.0603;-1.3525,-1.8503,-1.279;.4794,1.4884,1.8989;-.1021,2.26,-.3025;.8603,2.0612,.6856;-.1146,-1.6066,-.6847;-1.6178,-1.2892,-2.5231;.8502,-.8536,-1.3321;-.6669,-.5109,-3.1729;.5574,-.3139,-2.5778;2.6509,2.9904,-.6246;2.3554,4.4745,-.6592;2.7324,-1.5027,-.0551;2.7669,-2.841,-.4266;3.4243,-1.0569,1.0615;3.4947,-3.7368,.3422;4.1596,-1.9631,1.8129;4.1929,-3.3057,1.4628;-4.8848,-1.0045,.159;-3.5589,-.3553,-.7655;-3.5606,-2.5885,1.2557;-2.1358,-1.5923,1.288;-3.7198,1.1155,3.8597;-4.9346,-.0388,3.3249;-3.2585,-.5417,3.4823;-4.6117,2.4823,-.1521;-5.8259,1.8533,.9532;-4.659,3.0465,1.5147;-1.9135,-3.5879,-.18;-3.1769,-2.9619,-1.225;-1.0967,.6917,3.0748;-2.1389,2.0557,-.8545;1.225,1.3246,2.6678;.1481,2.6958,-1.2603;.0985,-2.021,.2942;-2.5748,-1.4602,-2.9991;-.8728,-.0725,-4.1409;2.2666,2.4858,-1.5145;3.7282,2.8271,-.6094;2.7831,4.9789,.2075;2.8047,4.9089,-1.5527;1.2876,4.6908,-.6887;2.2361,-3.1865,-1.3046;3.3948,-.0106,1.3361;3.5193,-4.7796,.0546;4.7015,-1.6137,2.6821;4.7606,-4.0107,2.055; 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 3047.3731440756 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 5.229e-06 Time for diagonalization 0.387 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.377 sec Total time needed 0.772 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:-3.6172,.7767,1.3822;1.4935,.4236,-3.1949;2.1716,2.363,.5608;2.0684,-.559,-.797;-3.8361,-.7056,.2355;-2.9686,-1.9025,.6472;-1.8295,1.3261,1.1487;-3.9024,.2847,3.1755;-4.7827,2.1675,.8794;-2.3777,-2.6668,-.5413;-.841,1.1332,2.1182;-1.4186,1.8897,-.0603;-1.3525,-1.8503,-1.279;.4794,1.4884,1.8989;-.1021,2.26,-.3025;.8603,2.0612,.6856;-.1146,-1.6066,-.6847;-1.6178,-1.2892,-2.5231;.8502,-.8536,-1.3321;-.6669,-.5109,-3.1729;.5574,-.3139,-2.5778;2.6509,2.9904,-.6246;2.3554,4.4745,-.6592;2.7324,-1.5027,-.0551;2.7669,-2.841,-.4266;3.4243,-1.0569,1.0615;3.4947,-3.7368,.3422;4.1596,-1.9631,1.8129;4.1929,-3.3057,1.4628;-4.8848,-1.0045,.159;-3.5589,-.3553,-.7655;-3.5606,-2.5885,1.2557;-2.1358,-1.5923,1.288;-3.7198,1.1155,3.8597;-4.9346,-.0388,3.3249;-3.2585,-.5417,3.4823;-4.6117,2.4823,-.1521;-5.8259,1.8533,.9532;-4.659,3.0465,1.5147;-1.9135,-3.5879,-.18;-3.1769,-2.9619,-1.225;-1.0967,.6917,3.0748;-2.1389,2.0557,-.8545;1.225,1.3246,2.6678;.1481,2.6958,-1.2603;.0985,-2.021,.2942;-2.5748,-1.4602,-2.9991;-.8728,-.0725,-4.1409;2.2666,2.4858,-1.5145;3.7282,2.8271,-.6094;2.7831,4.9789,.2075;2.8047,4.9089,-1.5527;1.2876,4.6908,-.6887;2.2361,-3.1865,-1.3045;3.3948,-.0106,1.3361;3.5193,-4.7796,.0546;4.7015,-1.6137,2.6821;4.7606,-4.0107,2.055; 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:-3.6172,.7767,1.3822;1.4935,.4236,-3.1949;2.1716,2.363,.5608;2.0684,-.559,-.797;-3.8361,-.7056,.2355;-2.9686,-1.9025,.6472;-1.8295,1.3261,1.1487;-3.9024,.2847,3.1755;-4.7827,2.1675,.8794;-2.3777,-2.6668,-.5413;-.841,1.1332,2.1183;-1.4186,1.8897,-.0603;-1.3525,-1.8503,-1.279;.4794,1.4884,1.8989;-.1021,2.26,-.3025;.8603,2.0612,.6856;-.1146,-1.6066,-.6847;-1.6178,-1.2892,-2.5231;.8502,-.8536,-1.3321;-.6669,-.5109,-3.1729;.5574,-.3139,-2.5778;2.6509,2.9904,-.6246;2.3554,4.4745,-.6592;2.7324,-1.5027,-.0551;2.7669,-2.841,-.4266;3.4243,-1.0569,1.0615;3.4947,-3.7368,.3422;4.1596,-1.9631,1.8129;4.1929,-3.3057,1.4628;-4.8848,-1.0045,.159;-3.5589,-.3553,-.7655;-3.5606,-2.5885,1.2557;-2.1358,-1.5923,1.288;-3.7198,1.1155,3.8597;-4.9346,-.0388,3.3249;-3.2585,-.5417,3.4823;-4.6117,2.4823,-.1521;-5.8259,1.8533,.9532;-4.659,3.0465,1.5147;-1.9135,-3.5879,-.18;-3.1769,-2.9619,-1.225;-1.0967,.6917,3.0748;-2.1389,2.0557,-.8545;1.225,1.3246,2.6678;.1481,2.6958,-1.2603;.0985,-2.021,.2942;-2.5748,-1.4602,-2.9991;-.8728,-.0725,-4.1409;2.2666,2.4858,-1.5145;3.7282,2.8271,-.6094;2.7831,4.9789,.2075;2.8047,4.9089,-1.5527;1.2876,4.6908,-.6887;2.2361,-3.1865,-1.3046;3.3948,-.0106,1.3361;3.5193,-4.7796,.0546;4.7015,-1.6137,2.6821;4.7606,-4.0107,2.055; 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 3354 GEPOL Volume 2913.3088 GEPOL Surface-area 1616.0377 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.05156930 3047.37314408 -4557.42471338 -8126.35402675 3568.92931338 -0.02654838 -3013.97593047 1503.92436117 2.00407415 108.999770286307 108.999770286307 217.999540572615 -135.238354726805 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 -1800.5587 -674.9066 -524.7287 -524.1481 -281.9555 -281.6326 -281.5625 -281.3780 -280.8713 -279.9642 -279.8733 -279.8166 -279.8065 -279.7706 -279.7642 -279.7208 -279.6902 -279.6889 -279.6756 -279.6294 -279.5307 -279.4770 -279.3821 -279.3442 -279.1426 -279.0939 -278.7319 -278.6734 -278.6645 -145.6216 -100.6896 -100.6739 -100.6650 -36.7752 -33.0394 -32.2885 -27.0482 -26.6204 -26.3994 -24.9414 -24.1780 -24.1400 -23.6743 -23.5141 -23.4315 -23.0525 -22.8512 -22.0445 -21.3512 -21.3376 -20.6991 -20.4691 -19.9440 -19.6223 -19.4738 -19.0641 -18.6281 -18.4745 -17.9904 -17.5373 -17.3109 -16.7992 -16.3593 -16.1724 -16.1085 -15.9650 -15.6369 -15.3349 -15.0837 -14.9317 -14.8365 -14.7297 -14.7088 -14.4979 -14.3405 -14.2646 -14.2261 -13.9892 -13.9128 -13.7328 -13.6628 -13.4089 -13.2897 -13.2637 -13.0697 -12.9451 -12.9178 -12.8471 -12.7515 -12.7208 -12.4803 -12.3142 -12.2288 -12.0676 -11.7887 -11.6897 -11.4327 -11.3102 -11.2787 -11.1681 -10.4464 -10.3212 -9.8884 -9.5947 -9.4372 -9.2966 -8.9107 -8.4250 -8.2437 1.2909 1.5765 1.7062 1.8712 1.9205 2.1700 3.1204 3.5066 3.5817 3.7707 3.8789 3.9354 4.1381 4.2148 4.2787 4.4806 4.7093 4.7631 4.8424 4.8745 4.9874 5.0817 5.1167 5.2174 5.3988 5.4821 5.5639 5.5807 5.6585 5.7762 5.9027 5.9449 6.0042 6.0481 6.1853 6.2061 6.2547 6.3783 6.4434 6.4985 6.5413 6.7392 6.8586 6.9081 7.0243 7.1027 7.1751 7.2825 7.3882 7.4703 7.6833 7.7357 7.8661 7.9225 7.9609 7.9734 8.0637 8.2248 8.2994 8.3897 8.4748 8.5476 8.7029 8.7347 8.9523 8.9767 9.1727 9.2336 9.3084 9.3723 9.4959 9.6213 9.7456 9.8792 9.9259 10.0635 10.1330 10.1810 10.2887 10.4175 10.5363 10.6379 10.7124 10.7374 10.9354 11.0114 11.0873 11.1739 11.2745 11.4085 11.4485 11.6142 11.7169 11.8076 11.9013 11.9435 12.0266 12.1332 12.1957 12.3611 12.4056 12.5589 12.6547 12.7037 12.7519 12.8531 12.9953 13.0221 13.1389 13.1895 13.3185 13.3490 13.4020 13.4959 13.5505 13.6572 13.6860 13.7785 13.8309 13.9163 14.0279 14.0797 14.1120 14.1443 14.2396 14.2747 14.4592 14.5412 14.6724 14.6916 14.7609 14.8473 14.8955 14.9956 15.0911 15.1121 15.1880 15.2641 15.2901 15.4404 15.5219 15.5460 15.6603 15.7996 15.8236 15.9625 16.0357 16.0706 16.1414 16.3066 16.4037 16.5236 16.5871 16.7140 16.7251 16.8880 16.9563 17.0761 17.2167 17.2462 17.2947 17.4665 17.5330 17.6453 17.7839 17.8419 17.9749 18.1643 18.3773 18.6971 18.7223 18.8027 18.8922 19.0798 19.1682 19.2149 19.4167 19.5718 19.6767 19.7939 19.9081 19.9241 20.0640 20.1935 20.3272 20.3530 20.4725 20.5607 20.6321 20.7515 20.8513 21.0112 21.0632 21.1625 21.3027 21.4450 21.5092 21.6026 21.7646 21.8083 21.9634 21.9825 22.2187 22.2996 22.4694 22.5432 22.6752 22.7876 22.9889 23.0060 23.0752 23.2836 23.3910 23.4696 23.5630 23.7814 23.8722 23.9516 24.1254 24.2688 24.3325 24.3776 24.4412 24.8037 24.8780 24.9578 25.1250 25.2321 25.4100 25.5773 25.6354 25.8270 25.8882 25.9837 26.2201 26.2738 26.3568 26.5334 26.6882 26.7279 26.7623 26.9799 27.0933 27.1673 27.2815 27.4007 27.4624 27.5038 27.5820 27.8178 28.0135 28.2036 28.3091 28.4176 28.4887 28.5346 28.6396 28.7667 28.8615 29.0266 29.1519 29.2832 29.3527 29.3933 29.4390 29.7188 29.8320 29.8539 29.9394 30.0445 30.0880 30.1651 30.3062 30.4005 30.5310 30.6339 30.6949 30.8998 30.9598 31.0527 31.3296 31.3792 31.4461 31.6843 31.7870 31.9201 31.9627 32.0520 32.1351 32.3940 32.5418 32.5909 32.6547 32.8296 32.9054 33.0285 33.0995 33.2051 33.3596 33.5569 33.6048 33.6572 33.7287 33.8355 33.9567 34.1580 34.1820 34.2636 34.4353 34.5532 34.7940 34.9685 35.0754 35.2154 35.2624 35.3784 35.4185 35.5039 35.7045 35.7953 35.9984 36.0342 36.1691 36.2227 36.4009 36.5036 36.6460 36.8641 37.0300 37.0688 37.1814 37.2256 37.2940 37.4425 37.5556 37.6287 37.7244 37.8694 38.0699 38.2024 38.3655 38.4518 38.5280 38.6152 38.7223 38.7347 38.8360 38.9186 39.0266 39.0500 39.1387 39.3209 39.4506 39.6483 39.6744 39.7612 39.9127 40.0163 40.1530 40.2451 40.4731 40.5798 40.6701 40.6928 40.7856 41.0037 41.0379 41.1183 41.2881 41.3498 41.4773 41.5275 41.6986 41.8353 41.9332 42.0375 42.1363 42.3106 42.3410 42.4234 42.6080 42.6939 42.8192 42.8769 42.9368 42.9865 43.1306 43.1628 43.2694 43.4207 43.4862 43.6683 43.8567 43.9572 43.9957 44.0553 44.1750 44.2942 44.4449 44.6580 44.7287 44.8059 44.8381 45.0778 45.1480 45.2569 45.4202 45.5195 45.6187 45.7470 45.9082 45.9650 46.1889 46.3064 46.3437 46.5054 46.5551 46.6368 46.8447 46.8997 47.0503 47.2465 47.3946 47.4512 47.5801 47.7182 47.8184 47.9154 48.0093 48.2217 48.3034 48.4371 48.8803 48.9669 49.0503 49.1480 49.2969 49.5687 49.5950 49.7206 49.9056 50.0116 50.2128 50.2709 50.4355 50.6134 50.8295 51.1615 51.1829 51.3907 51.7792 51.8469 52.0013 52.3171 52.4347 52.5492 52.6255 52.6955 52.8608 52.9343 53.2559 53.6441 53.7288 53.8109 54.1634 54.2022 54.5784 54.6788 54.9007 55.0098 55.4128 55.4659 55.9301 55.9839 56.1188 56.2850 56.3331 56.7243 56.9073 56.9257 57.2250 57.2967 57.5210 57.5992 57.6974 58.1229 58.3758 58.6357 58.6694 58.9087 59.1027 59.2414 59.4317 59.6906 59.7707 59.9793 59.9875 60.3516 60.5459 60.6690 61.0912 61.4756 61.8051 61.9168 62.0668 62.1736 62.4222 62.5510 62.7905 63.2390 63.3680 63.5754 63.7045 63.9641 64.1893 64.4454 64.5481 64.7511 64.8062 65.1998 65.3198 65.4573 65.6595 65.8529 65.9516 66.1429 66.5012 66.6171 66.8769 66.9723 67.1960 67.5907 67.7201 67.9321 68.0678 68.0857 68.2522 68.3868 68.6703 68.7712 68.9441 69.3178 69.4521 69.9304 70.2186 70.4744 70.5867 71.0261 71.1226 71.3331 71.7871 71.8389 72.2660 72.4196 72.5764 72.8096 72.9131 73.0313 73.2616 73.3068 73.7079 73.9250 74.0197 74.2048 74.3486 74.5015 74.7463 74.9940 75.0217 75.1594 75.3803 75.6294 75.8080 76.0212 76.2110 76.2479 76.4402 76.5923 76.7849 76.8526 76.9951 77.2722 77.3508 77.5539 77.7452 77.9410 78.1527 78.1834 78.3124 78.3667 78.4813 78.6060 78.6898 78.9837 79.0736 79.1679 79.3635 79.3849 79.4731 79.5372 79.6251 79.7196 79.7792 79.8278 79.9195 80.0281 80.2681 80.3203 80.5192 80.5918 80.7248 80.8337 80.9372 81.1072 81.2500 81.4006 81.5309 81.5931 81.8369 81.9466 82.0947 82.1872 82.2509 82.5940 82.6633 82.6801 82.7428 82.8592 82.9800 83.0762 83.1013 83.4923 83.5717 83.7482 83.8392 83.9519 84.1020 84.3248 84.4611 84.5801 84.6646 84.7892 84.8937 84.9842 85.0736 85.1474 85.2037 85.2261 85.3459 85.4441 85.6036 85.6074 85.6882 85.8020 85.8852 86.1091 86.1458 86.2702 86.2996 86.4256 86.5640 86.6852 86.7692 86.9372 87.0107 87.1948 87.2823 87.3857 87.5563 87.6108 87.6743 87.8371 87.9034 87.9774 88.0178 88.1318 88.2464 88.4106 88.4705 88.5088 88.6889 88.7612 88.8344 89.0423 89.1696 89.3225 89.3930 89.4293 89.5186 89.5800 89.7298 89.7965 89.8395 90.0808 90.1401 90.2405 90.2818 90.4515 90.4946 90.6543 90.6839 90.8180 90.9026 91.1780 91.2402 91.4132 91.4842 91.5972 91.7552 91.9143 92.0586 92.2214 92.3172 92.4465 92.6468 92.7563 92.9251 92.9614 93.0371 93.1429 93.2510 93.3495 93.4273 93.6020 93.6832 93.8080 93.8635 93.9416 94.0540 94.1648 94.3038 94.4314 94.5142 94.6516 94.9410 94.9931 95.1062 95.1580 95.3044 95.3830 95.4515 95.5924 95.6680 95.7746 95.9006 95.9960 96.2476 96.3010 96.4597 96.6390 96.7768 96.8378 96.8826 96.9601 97.1834 97.2265 97.4457 97.5510 97.6884 97.7999 97.8319 97.9437 97.9679 98.1500 98.2960 98.4077 98.5591 98.6570 98.7659 98.8851 98.9721 99.1845 99.2096 99.3920 99.4426 99.5676 99.6917 99.7389 99.8499 100.0933 100.1073 100.2012 100.2425 100.3109 100.3677 100.6289 100.7979 100.9757 101.0083 101.0772 101.2660 101.4538 101.5302 101.6865 101.8187 101.9431 102.0872 102.3027 102.4040 102.5701 102.6524 102.9345 103.0365 103.1956 103.2739 103.4811 103.6986 103.7761 104.0308 104.1098 104.2019 104.4232 104.5544 104.6750 104.8263 105.0032 105.1535 105.2573 105.4096 105.5786 105.6154 105.7304 105.8448 105.9969 106.1278 106.2808 106.3921 106.4366 106.5771 106.6762 106.7002 106.8173 106.9777 107.1643 107.2624 107.3566 107.4359 107.7108 107.7870 107.9192 107.9651 108.1554 108.3258 108.5443 108.6328 108.7370 108.8869 108.9783 109.0828 109.2816 109.2997 109.4674 109.7238 109.8437 109.9911 110.0306 110.0986 110.2674 110.3361 110.6153 110.7650 110.9269 111.0205 111.1028 111.3377 111.4977 111.5740 111.8459 111.8649 111.9466 112.1078 112.3489 112.4059 112.5686 112.7138 112.8661 112.9689 113.2334 113.3245 113.5207 113.6988 113.7444 113.9377 114.0004 114.2478 114.3350 114.3756 114.5965 114.6489 114.8089 114.9707 115.0896 115.2674 115.3225 115.4127 115.5553 115.7615 115.8438 115.8696 115.9728 116.1224 116.1669 116.3119 116.4306 116.5498 116.6965 116.7912 116.9608 117.1268 117.2339 117.3761 117.5748 117.6092 117.7426 117.9866 118.0745 118.1400 118.2803 118.3811 118.4671 118.5096 118.6306 118.7563 118.8994 118.9529 119.1276 119.1757 119.3352 119.4182 119.4599 119.5917 119.7185 119.8585 119.9636 120.1312 120.1681 120.3095 120.5359 120.6254 120.7090 120.8026 120.8800 120.9731 121.1287 121.2184 121.3649 121.6096 121.7964 121.9485 122.0317 122.2988 122.4461 122.5660 122.7166 123.0678 123.2009 123.3053 123.6132 123.8389 124.0528 124.2048 124.5605 124.6656 124.8305 125.1826 125.4194 125.9551 126.3415 126.3623 126.5398 126.8122 126.8546 127.0177 127.0666 127.2192 127.2933 127.4289 127.5449 127.7319 127.7456 128.1540 128.3371 128.5936 128.6652 128.9093 129.0135 129.3588 129.4267 129.5649 129.7315 129.8614 130.0162 130.2524 130.2709 130.9185 130.9569 131.1774 131.2990 131.3749 131.6319 131.7502 131.8570 132.0592 132.2650 132.2973 132.3798 132.6557 132.8350 132.8830 132.9734 133.1715 133.3501 133.9691 134.2222 134.5204 134.9303 135.1793 135.4614 135.5388 135.6295 135.7864 136.0336 136.1137 136.5481 136.7452 136.9053 137.0378 137.4126 137.5765 137.8251 138.0087 138.1802 138.3758 138.3968 138.6427 138.8597 139.0668 139.2993 139.5025 139.6979 139.8593 140.2012 140.3605 140.5376 140.6948 141.4882 141.5655 141.6092 141.8057 141.9792 142.3439 142.8243 142.9374 143.1542 143.3963 143.5489 143.7885 143.8754 144.0513 144.1494 144.2407 144.3999 144.5572 144.7077 144.9641 145.0619 145.1996 145.9455 146.2213 146.4134 146.9977 147.0715 147.4912 147.7218 147.9092 148.1146 148.2618 148.3099 148.4971 148.6066 148.8441 148.9405 149.1921 149.2749 149.4228 149.6146 149.6935 149.7973 150.0880 150.3155 150.4536 150.6930 150.8184 151.0894 151.1507 151.3252 151.6236 151.8767 152.1201 152.1939 152.7449 152.9825 153.2760 153.5129 153.6275 153.8431 154.0351 154.3143 154.4285 155.5996 155.7141 156.0082 156.1886 156.3768 156.5410 156.8351 156.9406 157.0773 157.2528 157.3380 157.4382 157.6314 157.8173 158.0801 158.5957 158.8893 159.2339 159.3730 159.4410 159.9537 160.5931 161.3335 161.6524 162.2236 162.5238 163.3148 163.4494 164.1950 165.0299 167.9977 168.6934 169.5524 171.0716 171.7948 172.8730 174.1741 174.5283 176.4029 180.5654 181.2465 182.6797 186.9122 187.5654 188.0706 188.7442 189.1475 189.3198 189.4887 190.5073 190.9358 191.3573 192.1932 192.7888 193.9636 195.7999 196.1316 200.1733 202.5587 202.8238 206.0903 207.1360 208.6285 212.7125 230.1046 236.1218 241.5633 248.4831 249.1644 339.0432 619.3093 619.7766 625.3239 630.1582 631.2135 631.7941 632.6817 633.1058 634.4147 634.9026 635.3007 635.6726 636.9437 637.2182 638.1225 638.5213 640.0367 640.5414 643.0711 643.4958 645.8718 646.5912 654.3112 655.8337 658.0962 1214.0719 1217.5566 1565.1790 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 0.483404 -0.224062 -0.351438 -0.336868 -0.267325 -0.122213 -0.107435 -0.433772 -0.443442 -0.097055 -0.114443 -0.258453 0.067596 -0.282075 -0.164028 0.310569 -0.259625 -0.224344 0.243286 -0.136534 0.157548 0.058606 -0.263554 0.309839 -0.198069 -0.268402 -0.148096 -0.130051 -0.190719 0.096086 0.075564 0.094588 0.064234 0.108804 0.109318 0.102338 0.101012 0.103597 0.103038 0.097737 0.086361 0.144163 0.135359 0.138055 0.141287 0.147717 0.146221 0.148325 0.074145 0.108418 0.088839 0.095079 0.090555 0.156199 0.148958 0.162042 0.162440 0.160671 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 13.5166 9.2241 8.3514 8.3369 6.2673 6.1222 6.1074 6.4338 6.4434 6.0971 6.1144 6.2585 5.9324 6.2821 6.1640 5.6894 6.2596 6.2243 5.7567 6.1365 5.8425 5.9414 6.2636 5.6902 6.1981 6.2684 6.1481 6.1301 6.1907 0.9039 0.9244 0.9054 0.9358 0.8912 0.8907 0.8977 0.8990 0.8964 0.8970 0.9023 0.9136 0.8558 0.8646 0.8619 0.8587 0.8523 0.8538 0.8517 0.9259 0.8916 0.9112 0.9049 0.9094 0.8438 0.8510 0.8380 0.8376 0.8393 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 0.4834 -0.2241 -0.3514 -0.3369 -0.2673 -0.1222 -0.1074 -0.4338 -0.4434 -0.0971 -0.1144 -0.2585 0.0676 -0.2821 -0.1640 0.3106 -0.2596 -0.2243 0.2433 -0.1365 0.1575 0.0586 -0.2636 0.3098 -0.1981 -0.2684 -0.1481 -0.1301 -0.1907 0.0961 0.0756 0.0946 0.0642 0.1088 0.1093 0.1023 0.1010 0.1036 0.1030 0.0977 0.0864 0.1442 0.1354 0.1381 0.1413 0.1477 0.1462 0.1483 0.0741 0.1084 0.0888 0.0951 0.0906 0.1562 0.1490 0.1620 0.1624 0.1607 4.1322 1.0583 2.0321 2.0228 3.8346 3.8749 3.6627 3.9132 3.9010 3.8604 3.8522 3.9411 3.6127 3.9920 3.7947 3.6611 3.8846 3.8865 3.5149 3.8800 4.0195 3.8318 3.9406 3.6844 3.9322 3.9620 3.8950 3.9067 3.9076 1.0120 1.0176 1.0079 1.0069 1.0074 1.0090 1.0077 1.0107 1.0102 1.0091 1.0048 1.0069 0.9876 0.9957 1.0098 1.0024 1.0074 1.0012 0.9985 1.0096 0.9913 1.0058 1.0079 1.0025 0.9969 1.0207 0.9891 0.9895 0.9894 4.1322 1.0583 2.0321 2.0228 3.8346 3.8749 3.6627 3.9132 3.9010 3.8604 3.8522 3.9411 3.6127 3.9920 3.7947 3.6611 3.8846 3.8865 3.5149 3.8800 4.0195 3.8318 3.9406 3.6844 3.9322 3.9620 3.8950 3.9067 3.9076 1.0120 1.0176 1.0079 1.0069 1.0074 1.0090 1.0077 1.0107 1.0102 1.0091 1.0048 1.0069 0.9876 0.9957 1.0098 1.0024 1.0074 1.0012 0.9985 1.0096 0.9913 1.0058 1.0079 1.0025 0.9969 1.0207 0.9891 0.9895 0.9894 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.9476 0.9889 0.9807 0.9595 1.0310 1.0428 0.8814 0.8908 0.9625 0.9066 0.9781 0.9846 0.9216 0.9953 1.0151 1.2893 1.3489 0.9742 0.9735 0.9713 0.9784 0.9760 0.9725 0.9049 1.0072 1.0120 1.4868 0.9930 1.4107 0.9896 1.3580 1.3506 1.3207 1.0059 1.2603 1.0034 1.3342 0.9789 1.3967 0.9982 1.3400 1.4539 0.9899 0.9591 0.9856 0.9778 0.9906 0.9867 0.9899 1.3596 1.3631 1.4300 0.9777 1.4404 0.9712 1.4128 0.9781 1.4078 0.9772 0.9840 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 -0.036046849 -1510.087616152517 -20.30521 19.44909 -0.85612 5.12685 -5.85467 -0.72782 13.15234 -13.29771 -0.14537 1.13305 2.87998