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:-3.5115,1.8268,.3457;1.3361,-5.5819,.5003;2.1862,3.8669,.2171;2.0788,-3.2973,-.6576;-3.5946,.2915,-.7531;-2.6446,-.8203,-.3175;-1.7384,2.4628,.3461;-4.0141,1.4022,2.1095;-4.6707,3.1456,-.3365;-2.6269,-2.0186,-1.2711;-.9465,2.411,-.8087;-1.1499,3.0153,1.4814;-1.5906,-3.0256,-.8588;.352,2.8837,-.8296;.1534,3.5022,1.486;.9149,3.4373,.3225;-.2418,-2.7075,-1.0041;-1.9312,-4.2388,-.2721;.748,-3.5573,-.539;-.9479,-5.1143,.1719;.3771,-4.7604,.0488;2.8181,4.4512,1.3488;4.2214,4.837,.9529;2.5224,-2.0052,-.534;2.049,-1.1546,.4582;3.506,-1.5858,-1.4168;2.5615,.131,.5492;4.0212,-.3016,-1.3032;3.547,.5648,-.3288;-4.6271,-.0758,-.7667;-3.3757,.5848,-1.7865;-2.9084,-1.17,.6854;-1.627,-.4254,-.2376;-5.0104,.954,2.1292;-3.3294,.6915,2.5764;-4.0514,2.287,2.7487;-5.7061,2.7965,-.3524;-4.6422,4.0546,.2682;-4.4059,3.426,-1.3584;-3.6146,-2.4851,-1.2992;-2.4176,-1.6631,-2.2844;-1.3461,1.9865,-1.7238;-1.7094,3.0773,2.4083;.9442,2.8244,-1.7351;.5527,3.9203,2.4003;.0362,-1.7715,-1.475;-2.9729,-4.5097,-.1536;-1.2102,-6.06,.6291;2.8407,3.74,2.1813;2.2592,5.3326,1.6809;4.806,3.9684,.6468;4.2246,5.5624,.1385;4.7255,5.2918,1.8057;1.289,-1.4837,1.1559;3.8672,-2.2595,-2.1839;2.1879,.7923,1.3204;4.7902,.0238,-1.9919;3.9434,1.5685,-.2527; 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 2865.5836937275 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 5.742e-06 Time for diagonalization 0.427 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.425 sec Total time needed 0.863 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:-3.5115,1.8268,.3457;1.3361,-5.5819,.5003;2.1862,3.8669,.2171;2.0788,-3.2973,-.6576;-3.5946,.2915,-.7531;-2.6446,-.8203,-.3175;-1.7384,2.4628,.3461;-4.0141,1.4022,2.1095;-4.6707,3.1456,-.3365;-2.6269,-2.0186,-1.2711;-.9465,2.411,-.8087;-1.1499,3.0153,1.4814;-1.5906,-3.0256,-.8588;.352,2.8837,-.8296;.1534,3.5022,1.486;.9149,3.4373,.3225;-.2418,-2.7075,-1.0041;-1.9312,-4.2388,-.2721;.748,-3.5573,-.539;-.9479,-5.1143,.1719;.3771,-4.7604,.0488;2.8181,4.4512,1.3488;4.2214,4.837,.9529;2.5224,-2.0052,-.534;2.049,-1.1546,.4582;3.506,-1.5858,-1.4168;2.5615,.131,.5492;4.0212,-.3016,-1.3032;3.547,.5648,-.3288;-4.6271,-.0758,-.7667;-3.3757,.5848,-1.7865;-2.9084,-1.17,.6854;-1.627,-.4254,-.2376;-5.0104,.954,2.1292;-3.3294,.6915,2.5764;-4.0514,2.287,2.7487;-5.7061,2.7965,-.3524;-4.6422,4.0546,.2682;-4.4059,3.426,-1.3584;-3.6146,-2.4851,-1.2992;-2.4176,-1.6631,-2.2844;-1.3461,1.9865,-1.7238;-1.7094,3.0773,2.4083;.9442,2.8244,-1.7351;.5527,3.9203,2.4003;.0362,-1.7715,-1.475;-2.9729,-4.5097,-.1536;-1.2102,-6.06,.6291;2.8407,3.74,2.1813;2.2592,5.3326,1.6809;4.806,3.9684,.6468;4.2246,5.5624,.1385;4.7255,5.2918,1.8057;1.289,-1.4837,1.1559;3.8672,-2.2594,-2.1839;2.1879,.7923,1.3204;4.7902,.0238,-1.9919;3.9434,1.5685,-.2527; 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:-3.5115,1.8268,.3457;1.3361,-5.5819,.5003;2.1862,3.8669,.2171;2.0788,-3.2973,-.6576;-3.5946,.2915,-.7531;-2.6446,-.8203,-.3175;-1.7384,2.4628,.3461;-4.0141,1.4022,2.1095;-4.6707,3.1456,-.3365;-2.6269,-2.0186,-1.2711;-.9465,2.411,-.8087;-1.1499,3.0153,1.4814;-1.5906,-3.0256,-.8588;.352,2.8837,-.8296;.1534,3.5022,1.486;.9149,3.4373,.3225;-.2418,-2.7075,-1.0041;-1.9312,-4.2388,-.2721;.748,-3.5573,-.539;-.9479,-5.1143,.1719;.3771,-4.7604,.0488;2.8181,4.4512,1.3488;4.2214,4.837,.9529;2.5224,-2.0052,-.534;2.049,-1.1546,.4582;3.506,-1.5858,-1.4168;2.5615,.131,.5492;4.0212,-.3016,-1.3032;3.547,.5648,-.3288;-4.6271,-.0758,-.7667;-3.3757,.5848,-1.7865;-2.9084,-1.17,.6854;-1.627,-.4254,-.2376;-5.0104,.954,2.1292;-3.3294,.6915,2.5764;-4.0514,2.287,2.7487;-5.7061,2.7965,-.3524;-4.6422,4.0546,.2682;-4.4059,3.426,-1.3584;-3.6146,-2.4851,-1.2992;-2.4176,-1.6631,-2.2844;-1.3461,1.9865,-1.7238;-1.7094,3.0773,2.4083;.9442,2.8244,-1.7351;.5527,3.9203,2.4003;.0362,-1.7715,-1.475;-2.9729,-4.5097,-.1536;-1.2102,-6.06,.6291;2.8407,3.74,2.1813;2.2592,5.3326,1.6809;4.806,3.9684,.6468;4.2246,5.5624,.1385;4.7255,5.2918,1.8057;1.289,-1.4837,1.1559;3.8672,-2.2595,-2.1839;2.1879,.7923,1.3204;4.7902,.0238,-1.9919;3.9434,1.5685,-.2527; 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 3389 GEPOL Volume 2941.0186 GEPOL Surface-area 1664.3053 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1510.07215855 2865.58369373 -4375.65585228 -7761.31076017 3385.65490789 -0.02393061 -3013.98065169 1503.90849314 2.00409843 109.000020836619 109.000020836619 218.000041673237 -135.228305612556 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 -1800.6030 -674.8542 -524.6939 -524.1954 -281.9559 -281.6307 -281.5368 -281.3921 -280.9468 -279.9697 -279.8788 -279.8122 -279.8020 -279.7620 -279.7601 -279.7228 -279.7226 -279.7146 -279.6940 -279.6199 -279.5472 -279.5117 -279.4058 -279.3634 -279.2290 -279.1368 -278.8336 -278.6947 -278.6771 -145.6638 -100.7291 -100.7155 -100.7113 -36.7365 -33.0269 -32.3911 -27.0356 -26.6102 -26.4321 -24.9448 -24.3023 -24.1496 -23.6694 -23.5848 -23.4614 -23.0800 -22.8020 -22.0444 -21.3629 -21.3447 -20.6681 -20.4448 -19.8854 -19.5612 -19.3706 -19.0185 -18.7052 -18.6280 -17.9993 -17.5530 -17.5103 -16.8379 -16.4026 -16.1301 -16.0863 -15.9663 -15.6510 -15.6051 -15.3027 -15.0255 -14.8257 -14.6923 -14.6357 -14.4417 -14.2742 -14.2406 -14.0311 -13.9666 -13.7568 -13.6868 -13.5931 -13.5201 -13.4429 -13.3541 -13.0153 -12.9730 -12.9384 -12.8928 -12.6471 -12.5341 -12.4024 -12.3574 -12.2220 -12.1771 -12.0568 -11.7316 -11.5421 -11.3699 -11.3066 -11.1838 -10.4723 -10.3662 -9.9832 -9.5916 -9.4453 -9.2778 -8.9050 -8.3923 -8.3161 1.3317 1.5940 1.6473 1.8272 1.9646 2.1974 2.9942 3.2456 3.4808 3.6091 3.8989 3.9593 4.0657 4.2119 4.3479 4.3858 4.5495 4.7233 4.7961 4.8487 4.8975 4.9620 5.0217 5.2141 5.3822 5.4370 5.5369 5.6211 5.6639 5.7213 5.8578 5.8810 5.9481 6.0008 6.1422 6.1991 6.2426 6.3387 6.4025 6.5466 6.6600 6.7106 6.8013 6.8615 6.9237 7.0562 7.1595 7.2766 7.3445 7.5015 7.5547 7.6743 7.8208 7.8828 7.9370 7.9965 8.1031 8.2792 8.3383 8.3444 8.3943 8.4393 8.6209 8.7450 8.7770 8.8491 8.9528 9.0538 9.2930 9.4096 9.5172 9.5459 9.6537 9.7768 9.8929 9.9974 10.0551 10.1706 10.2065 10.3699 10.4231 10.5449 10.5836 10.7979 10.8457 10.9279 10.9653 11.0518 11.1085 11.2933 11.3918 11.4297 11.5503 11.6354 11.7333 11.7524 11.8334 11.9362 12.0302 12.1732 12.2617 12.3034 12.3281 12.4141 12.5810 12.6143 12.8893 12.9128 12.9546 13.0082 13.0921 13.1219 13.1732 13.3128 13.3180 13.4145 13.5308 13.5970 13.7568 13.7951 13.9086 13.9822 14.0329 14.1292 14.1747 14.2658 14.3304 14.3658 14.4370 14.4595 14.7381 14.7891 14.8162 14.8418 14.9710 15.1057 15.1255 15.1933 15.2267 15.3212 15.4318 15.4591 15.5292 15.6442 15.6915 15.7898 15.9464 16.0965 16.1477 16.2135 16.3041 16.3594 16.4833 16.5628 16.6250 16.7210 16.7413 16.8885 16.9408 17.0831 17.1730 17.3257 17.3988 17.5742 17.6199 17.7415 17.8897 18.0776 18.1937 18.2662 18.3591 18.4909 18.6550 18.6784 18.8235 19.0152 19.1166 19.1764 19.3592 19.4236 19.4881 19.6854 19.8388 19.8873 19.9307 20.0021 20.1008 20.1851 20.2840 20.3292 20.5595 20.6405 20.7842 20.8477 20.8672 21.0959 21.3095 21.4244 21.5094 21.5569 21.6720 21.7969 21.8808 21.9866 22.0650 22.2207 22.2884 22.4175 22.5013 22.5775 22.7893 22.8933 22.9127 23.2466 23.3211 23.4935 23.6122 23.7471 23.8165 23.9059 24.0087 24.1312 24.2153 24.2595 24.3337 24.4981 24.6671 24.7423 24.8906 25.0398 25.1530 25.1974 25.3363 25.3843 25.5459 25.6153 25.7724 25.9173 25.9948 26.0787 26.2665 26.4131 26.5572 26.6341 26.7603 26.8701 26.9748 27.0184 27.1495 27.2583 27.3413 27.4724 27.6667 27.8859 27.9396 28.0532 28.1015 28.2760 28.3178 28.4695 28.5861 28.7180 28.8639 28.9159 29.2096 29.2723 29.3653 29.3930 29.5123 29.7005 29.7055 29.8616 29.9262 30.0311 30.1267 30.2823 30.3239 30.5104 30.5820 30.6791 30.7637 30.9462 31.0914 31.1402 31.3792 31.4965 31.5984 31.7920 31.8883 32.0256 32.0659 32.1898 32.3654 32.4043 32.5915 32.6374 32.7530 32.9286 32.9959 33.1333 33.2134 33.3987 33.4277 33.5488 33.6405 33.6920 33.9169 33.9803 34.0615 34.1390 34.3760 34.4560 34.5933 34.6337 34.6794 34.8135 35.1003 35.1334 35.3237 35.3943 35.5114 35.7102 35.7559 35.8118 35.8925 36.0199 36.0952 36.3767 36.4075 36.4732 36.6882 36.8609 36.9562 37.1027 37.2137 37.2649 37.3925 37.4206 37.6947 37.9398 38.0311 38.1640 38.2577 38.2988 38.3383 38.4726 38.5817 38.6976 38.7578 38.7914 38.8553 38.9525 39.0867 39.2703 39.3706 39.4508 39.4821 39.5424 39.6554 39.7720 39.7911 40.0613 40.1740 40.2955 40.3100 40.4187 40.6946 40.8094 41.0306 41.0681 41.1620 41.2744 41.3975 41.5060 41.6301 41.7632 41.8239 41.9349 42.0332 42.1612 42.3342 42.3879 42.4471 42.5323 42.6051 42.7298 42.8252 42.8746 43.0101 43.1658 43.2622 43.3634 43.4537 43.4975 43.6671 43.6925 43.7739 43.9467 44.1012 44.3056 44.4409 44.4843 44.5715 44.7440 44.8039 44.8950 45.0085 45.1416 45.1887 45.3314 45.4745 45.5166 45.6764 45.7668 45.8994 46.0206 46.1313 46.2337 46.4423 46.5083 46.5256 46.6511 46.9198 46.9953 47.1051 47.1911 47.3618 47.5867 47.6112 47.8017 47.8911 48.1108 48.2003 48.3231 48.4630 48.5560 48.6513 48.8424 49.0384 49.1606 49.3496 49.5331 49.6505 49.7110 49.9039 49.9665 50.2864 50.3940 50.4939 50.7968 50.9491 51.3175 51.4824 51.6112 51.7498 51.7804 52.0841 52.3493 52.4639 52.5420 52.6885 52.8972 52.9634 53.1407 53.2071 53.3868 53.6265 53.9260 54.1998 54.3804 54.6106 54.8924 55.2061 55.4692 55.5043 55.8107 56.0895 56.2212 56.2929 56.4900 56.6318 57.0092 57.2557 57.3943 57.5319 57.6501 57.7321 57.9147 58.1950 58.2077 58.5121 58.5982 58.7755 59.0239 59.1218 59.3890 59.4526 59.5453 59.9119 60.1367 60.2766 60.5200 60.7773 61.1400 61.3245 61.4860 61.7014 61.9129 62.2811 62.3378 62.6878 62.9349 63.1743 63.3043 63.4854 63.7006 63.8133 64.0117 64.2577 64.3944 64.8620 64.9030 65.0681 65.3208 65.4292 65.5957 65.8097 66.1982 66.4204 66.6695 66.9934 67.3647 67.3872 67.6294 67.7763 67.8965 68.0405 68.2319 68.2627 68.4973 68.8052 68.9453 69.1813 69.4316 69.8029 70.1259 70.1817 70.3819 70.8430 71.3176 71.4018 71.4634 71.9993 72.1862 72.2371 72.5915 72.7232 72.8568 73.0977 73.3211 73.5830 73.6871 73.8505 73.9584 74.0503 74.5229 74.6712 74.8337 75.0271 75.1209 75.2998 75.3804 75.6376 76.0178 76.1924 76.3006 76.4280 76.6053 76.7871 76.9357 77.1047 77.1239 77.3772 77.4232 77.5073 77.5573 77.7522 77.7862 78.0286 78.1427 78.2581 78.4014 78.5733 78.7265 78.7830 79.1162 79.3231 79.3369 79.4145 79.4790 79.5452 79.5962 79.6706 79.7082 79.9441 79.9904 80.1300 80.2104 80.2446 80.3880 80.5108 80.6380 80.6417 80.7914 80.9177 81.0165 81.1663 81.4212 81.4758 81.6237 81.7493 81.8304 81.9562 82.0725 82.2083 82.2999 82.4007 82.5353 82.7221 82.8454 82.9560 83.1167 83.2320 83.2638 83.3697 83.4737 83.5928 83.6790 83.7192 83.8427 84.0841 84.1678 84.2386 84.3962 84.5715 84.6793 84.7102 84.7677 85.0221 85.0966 85.1663 85.2543 85.3715 85.6172 85.6530 85.7824 85.8647 85.8898 85.9819 86.0815 86.1799 86.2941 86.4946 86.5938 86.6694 86.7548 86.9809 87.0034 87.0862 87.2022 87.3282 87.4481 87.5203 87.6915 87.7092 87.8618 87.9485 87.9793 88.1243 88.2482 88.3360 88.5145 88.6533 88.7375 88.8244 88.8566 89.1210 89.2174 89.2497 89.3364 89.4052 89.5338 89.6852 89.7908 89.9109 90.0136 90.1715 90.2209 90.3240 90.3915 90.4492 90.4908 90.6525 90.7254 90.7695 90.9107 90.9795 90.9970 91.1732 91.4056 91.5683 91.7641 91.9097 92.0475 92.1184 92.1754 92.3847 92.4025 92.5890 92.7210 92.7688 92.8839 92.9527 93.1056 93.2801 93.3230 93.4817 93.5356 93.6936 93.7067 93.7654 93.9592 94.1047 94.2219 94.3425 94.3921 94.6561 94.7797 94.8131 94.9294 94.9616 95.0992 95.1943 95.3109 95.3998 95.4920 95.5567 95.7306 95.7587 95.7963 96.1820 96.4585 96.5181 96.5714 96.6231 96.6907 96.8303 96.9938 97.0397 97.1361 97.3305 97.4928 97.5786 97.8697 98.0120 98.1207 98.1626 98.2626 98.3387 98.5363 98.6076 98.7138 98.8264 98.9846 99.0569 99.1770 99.3420 99.3467 99.4877 99.5892 99.6708 99.7674 99.9565 100.0537 100.1264 100.3635 100.4310 100.5253 100.7488 100.9019 100.9819 101.2168 101.3003 101.3871 101.5051 101.7076 101.8009 101.9273 102.1771 102.2572 102.3818 102.7549 102.8288 103.0223 103.1416 103.2910 103.3849 103.6622 103.7251 103.9614 103.9982 104.3175 104.3946 104.4850 104.6363 105.0013 105.0497 105.0989 105.2519 105.3721 105.4739 105.6495 105.7138 105.7721 105.8863 106.0942 106.2386 106.3395 106.4005 106.6137 106.6685 106.9969 107.0301 107.1444 107.1743 107.2517 107.3677 107.3884 107.5990 107.7976 107.9641 108.0419 108.2085 108.4610 108.5198 108.6116 108.6907 108.8480 108.9694 109.0339 109.2873 109.3345 109.5105 109.6432 109.7651 109.8152 109.8488 110.0138 110.1679 110.3824 110.4943 110.7755 110.9108 111.1336 111.2737 111.3297 111.4077 111.6957 111.7263 111.7848 111.8703 111.9687 112.1663 112.2842 112.4035 112.5097 112.6345 112.8809 113.0942 113.1938 113.4919 113.6658 113.7435 113.8617 113.9289 114.0861 114.1535 114.2186 114.2652 114.4299 114.5499 114.6792 114.8057 114.8725 114.9280 115.1416 115.2031 115.3226 115.4189 115.5328 115.6426 115.7262 115.7979 115.9545 116.0788 116.2010 116.4016 116.6495 116.7743 116.8872 117.0182 117.1703 117.4213 117.5524 117.6269 117.7421 117.9564 118.0123 118.0968 118.3101 118.3539 118.4757 118.5864 118.6570 118.7986 118.9139 119.0419 119.0966 119.2709 119.3473 119.3601 119.4212 119.4663 119.7130 119.8145 119.9064 120.0459 120.1222 120.2374 120.3463 120.4667 120.7170 120.8187 120.9222 121.0952 121.3034 121.3266 121.5034 121.6835 121.7834 121.9363 122.1244 122.3216 122.5038 122.6784 122.7636 122.8693 123.0622 123.3206 123.7103 123.7847 124.0443 124.0810 124.2526 125.1650 125.2411 125.7193 125.9648 126.0812 126.3318 126.4224 126.5545 126.7552 127.0230 127.1124 127.1583 127.3227 127.4012 127.4639 127.5243 127.8202 127.9729 128.2308 128.5059 128.5350 128.7317 129.0482 129.2168 129.5017 129.6158 129.8316 130.1502 130.3790 130.6098 130.6836 130.8009 130.9861 131.1052 131.2245 131.6188 131.6888 131.7385 131.8475 131.9900 132.1562 132.3804 132.5272 132.6979 132.9832 133.0891 133.3625 133.4262 133.5479 134.0428 134.2628 134.3253 134.7752 135.0570 135.4248 135.5176 135.6903 135.8443 135.9687 136.2147 136.3890 136.6003 136.7033 136.9328 137.3376 137.5370 137.9434 137.9978 138.0975 138.3180 138.5528 138.7009 138.8248 138.9157 139.5778 139.6604 139.8974 139.9459 140.1813 140.5516 140.7121 140.8669 141.2728 141.4645 141.7065 141.7366 142.0599 142.1677 142.7519 143.0653 143.2176 143.4791 143.7572 143.8166 143.9537 144.1737 144.2713 144.4976 144.5817 144.7571 144.8500 145.1773 145.3046 145.9683 146.2810 146.4285 146.7836 146.9506 147.3561 147.6374 147.8909 148.1815 148.3111 148.3793 148.4185 148.5330 148.6601 148.7267 148.8265 149.0941 149.2259 149.3148 149.5734 149.8030 150.0594 150.1617 150.3098 150.4128 150.6457 150.8012 150.8352 151.0825 151.4708 151.7794 151.9311 152.2080 152.5395 152.7979 153.4480 153.7267 153.9347 154.0046 154.3138 154.9834 155.3922 155.4429 155.5922 156.1639 156.2166 156.3019 156.5692 156.6726 156.7175 156.9364 157.0975 157.2438 157.3402 157.5795 157.9019 157.9760 158.1247 158.4287 158.6047 159.1999 159.4066 159.7861 160.6841 161.1485 161.7743 161.8800 162.4794 163.0752 163.4155 164.3898 165.0009 168.2942 168.9398 169.5518 170.8646 171.6759 172.8230 174.0488 174.0800 176.2917 179.7201 180.3046 182.6391 186.0533 186.2493 187.0196 188.0409 189.0231 189.3765 189.4913 190.2760 190.4283 191.1943 192.1764 192.7308 192.7959 195.4945 196.0175 200.0963 201.9191 203.5742 205.6105 206.5165 207.8900 212.6621 229.9039 235.8975 241.1159 247.9943 248.8874 338.4503 617.7038 618.9473 621.2049 629.5688 630.1041 631.4914 632.4421 632.6342 634.2261 634.4312 635.2422 635.4808 636.6049 637.2797 637.9304 638.5215 639.7452 640.0242 642.2522 643.1141 645.2976 646.6279 654.1622 655.4440 658.2255 1214.4478 1214.8125 1563.1188 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 0.489986 -0.218536 -0.323598 -0.331760 -0.285203 -0.115760 -0.162583 -0.444597 -0.417589 -0.053641 -0.096670 -0.137589 0.006744 -0.294368 -0.251239 0.329797 -0.210272 -0.205695 0.201418 -0.163048 0.178668 0.041074 -0.275102 0.279315 -0.169342 -0.232836 -0.178707 -0.139569 -0.157836 0.090325 0.081787 0.090637 0.064032 0.110612 0.107039 0.105543 0.101120 0.100252 0.100398 0.080109 0.088164 0.136083 0.136815 0.130391 0.135219 0.143437 0.140024 0.147583 0.096938 0.109667 0.088927 0.088377 0.092634 0.154620 0.145536 0.161299 0.155086 0.155888 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 13.5100 9.2185 8.3236 8.3318 6.2852 6.1158 6.1626 6.4446 6.4176 6.0536 6.0967 6.1376 5.9933 6.2944 6.2512 5.6702 6.2103 6.2057 5.7986 6.1630 5.8213 5.9589 6.2751 5.7207 6.1693 6.2328 6.1787 6.1396 6.1578 0.9097 0.9182 0.9094 0.9360 0.8894 0.8930 0.8945 0.8989 0.8997 0.8996 0.9199 0.9118 0.8639 0.8632 0.8696 0.8648 0.8566 0.8600 0.8524 0.9031 0.8903 0.9111 0.9116 0.9074 0.8454 0.8545 0.8387 0.8449 0.8441 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 0.4900 -0.2185 -0.3236 -0.3318 -0.2852 -0.1158 -0.1626 -0.4446 -0.4176 -0.0536 -0.0967 -0.1376 0.0067 -0.2944 -0.2512 0.3298 -0.2103 -0.2057 0.2014 -0.1630 0.1787 0.0411 -0.2751 0.2793 -0.1693 -0.2328 -0.1787 -0.1396 -0.1578 0.0903 0.0818 0.0906 0.0640 0.1106 0.1070 0.1055 0.1011 0.1003 0.1004 0.0801 0.0882 0.1361 0.1368 0.1304 0.1352 0.1434 0.1400 0.1476 0.0969 0.1097 0.0889 0.0884 0.0926 0.1546 0.1455 0.1613 0.1551 0.1559 4.1373 1.0669 2.0587 2.0796 3.8691 3.8466 3.7416 3.9019 3.8903 3.7955 3.8099 3.9174 3.6964 3.9995 3.8985 3.6962 3.8868 3.9074 3.7015 3.8773 4.0567 3.7895 3.9780 3.6938 3.8872 4.0021 3.8656 3.9239 3.8423 1.0159 1.0155 1.0072 1.0056 1.0073 1.0056 1.0089 1.0084 1.0097 1.0089 1.0141 1.0087 0.9900 0.9910 1.0175 1.0130 1.0041 1.0040 0.9983 0.9856 0.9893 1.0001 1.0031 1.0060 0.9979 1.0065 0.9844 0.9912 0.9967 4.1373 1.0669 2.0587 2.0796 3.8691 3.8466 3.7416 3.9019 3.8903 3.7955 3.8099 3.9174 3.6964 3.9995 3.8985 3.6962 3.8868 3.9074 3.7015 3.8773 4.0567 3.7895 3.9780 3.6938 3.8872 4.0021 3.8656 3.9239 3.8423 1.0159 1.0155 1.0072 1.0056 1.0073 1.0056 1.0089 1.0084 1.0097 1.0089 1.0141 1.0087 0.9900 0.9910 1.0175 1.0130 1.0041 1.0040 0.9983 0.9856 0.9893 1.0001 1.0031 1.0060 0.9979 1.0065 0.9844 0.9912 0.9967 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.9666 1.0184 0.9640 0.9664 1.0662 1.0809 0.8708 0.9781 0.9321 0.9091 0.9800 0.9949 0.9115 0.9967 1.0134 1.2768 1.3617 0.9706 0.9747 0.9744 0.9697 0.9752 0.9734 0.8842 1.0076 1.0140 1.4745 0.9991 1.4457 0.9745 1.3594 1.3824 1.2999 1.0119 1.3049 0.9811 1.3701 0.9594 1.3991 0.9824 1.3665 1.4484 0.9846 0.9653 0.9758 0.9744 0.9937 0.9931 0.9931 1.3444 1.3935 1.4108 0.9784 1.4302 0.9858 1.3737 0.9824 1.4190 0.9834 0.9769 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 -0.030565245 -1510.102723793725 -16.36144 15.61933 -0.74211 34.10366 -32.61595 1.48771 4.24945 -3.74058 0.50887 1.73867 4.41934