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:-3.8673,1.2207,.7914;1.9383,-3.62,.8058;1.9453,2.8892,.5355;1.3612,-.9509,.5886;-3.8062,-.5636,.1695;-3.4015,-.668,-1.3036;-2.0968,1.8573,.7188;-4.4797,1.2738,2.5687;-4.9629,2.2648,-.3257;-2.8479,-2.0317,-1.7064;-1.5798,2.4782,-.4176;-1.1995,1.6208,1.7672;-1.5684,-2.4374,-1.0169;-.2406,2.8353,-.53;.1351,1.9738,1.6829;.6306,2.5782,.5257;-.6435,-1.4984,-.5625;-1.2708,-3.7874,-.8473;.5293,-1.8961,.0568;-.0888,-4.1998,-.2482;.7983,-3.2489,.2049;2.5504,3.4459,-.6283;2.8353,2.4153,-1.6993;2.6524,-.8468,.1445;3.5358,-.1844,.9879;3.0737,-1.3301,-1.0866;4.8548,-.0171,.5968;4.4,-1.1575,-1.4615;5.2963,-.5057,-.6267;-3.0863,-1.0917,.8049;-4.7652,-1.0665,.3289;-2.6693,.1019,-1.5663;-4.271,-.4552,-1.9296;-3.8783,.642,3.2254;-4.4534,2.2873,2.9733;-5.5105,.9201,2.6385;-5.992,1.8996,-.311;-4.982,3.3086,-.0067;-4.6297,2.2469,-1.3653;-3.6015,-2.8017,-1.5213;-2.6759,-2.0376,-2.7876;-2.2267,2.6917,-1.2611;-1.5417,1.1442,2.6794;.0966,3.3069,-1.4429;.8057,1.7804,2.5116;-.8271,-.4353,-.6657;-1.9752,-4.537,-1.1856;.1327,-5.2512,-.1182;3.4853,3.8809,-.2756;1.9455,4.269,-1.0188;3.3051,2.9086,-2.5511;3.5238,1.6517,-1.3385;1.9331,1.9224,-2.0617;3.1905,.1914,1.9429;2.3868,-1.8297,-1.758;5.5413,.4969,1.2567;4.7284,-1.5376,-2.4199;6.3276,-.3773,-.9266; 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 3005.3535223595 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 5.183e-06 Time for diagonalization 0.386 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.426 sec Total time needed 0.823 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:-3.8673,1.2207,.7914;1.9383,-3.62,.8058;1.9453,2.8892,.5355;1.3612,-.9509,.5886;-3.8061,-.5636,.1695;-3.4015,-.668,-1.3036;-2.0968,1.8573,.7188;-4.4797,1.2738,2.5687;-4.9629,2.2648,-.3257;-2.8479,-2.0317,-1.7064;-1.5798,2.4782,-.4176;-1.1995,1.6208,1.7672;-1.5684,-2.4374,-1.0169;-.2406,2.8353,-.5299;.1351,1.9738,1.6829;.6306,2.5782,.5257;-.6435,-1.4984,-.5625;-1.2708,-3.7874,-.8473;.5293,-1.8961,.0568;-.0888,-4.1998,-.2482;.7983,-3.2489,.2049;2.5504,3.4459,-.6283;2.8353,2.4153,-1.6993;2.6524,-.8468,.1445;3.5358,-.1844,.9879;3.0737,-1.3301,-1.0866;4.8548,-.0171,.5968;4.4,-1.1575,-1.4615;5.2963,-.5057,-.6267;-3.0863,-1.0917,.8049;-4.7652,-1.0665,.3289;-2.6693,.1019,-1.5663;-4.271,-.4552,-1.9296;-3.8783,.642,3.2254;-4.4534,2.2873,2.9733;-5.5105,.9201,2.6385;-5.992,1.8996,-.311;-4.982,3.3086,-.0067;-4.6297,2.2469,-1.3653;-3.6015,-2.8017,-1.5213;-2.6758,-2.0376,-2.7876;-2.2267,2.6917,-1.2611;-1.5417,1.1442,2.6794;.0966,3.3069,-1.4429;.8057,1.7804,2.5116;-.8271,-.4353,-.6657;-1.9752,-4.537,-1.1856;.1327,-5.2512,-.1182;3.4853,3.8809,-.2756;1.9455,4.269,-1.0188;3.3051,2.9086,-2.5511;3.5238,1.6517,-1.3385;1.9331,1.9224,-2.0617;3.1905,.1914,1.9429;2.3868,-1.8297,-1.758;5.5413,.4969,1.2567;4.7284,-1.5376,-2.4199;6.3276,-.3773,-.9266; 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:-3.8673,1.2207,.7914;1.9383,-3.62,.8058;1.9453,2.8892,.5355;1.3612,-.9509,.5886;-3.8062,-.5636,.1695;-3.4015,-.668,-1.3036;-2.0968,1.8573,.7188;-4.4797,1.2738,2.5687;-4.9629,2.2648,-.3257;-2.8479,-2.0317,-1.7064;-1.5798,2.4782,-.4176;-1.1995,1.6208,1.7672;-1.5684,-2.4374,-1.0169;-.2406,2.8353,-.53;.1351,1.9738,1.6829;.6306,2.5782,.5257;-.6435,-1.4984,-.5625;-1.2708,-3.7874,-.8473;.5293,-1.8961,.0568;-.0888,-4.1998,-.2482;.7983,-3.2489,.2049;2.5504,3.4459,-.6283;2.8353,2.4153,-1.6993;2.6524,-.8468,.1445;3.5358,-.1844,.9879;3.0737,-1.3301,-1.0866;4.8548,-.0171,.5968;4.4,-1.1575,-1.4615;5.2963,-.5057,-.6267;-3.0863,-1.0917,.8049;-4.7652,-1.0665,.3289;-2.6693,.1019,-1.5663;-4.271,-.4552,-1.9296;-3.8783,.642,3.2254;-4.4534,2.2873,2.9733;-5.5105,.9201,2.6385;-5.992,1.8996,-.311;-4.982,3.3086,-.0067;-4.6297,2.2469,-1.3653;-3.6015,-2.8017,-1.5213;-2.6759,-2.0376,-2.7876;-2.2267,2.6917,-1.2611;-1.5417,1.1442,2.6794;.0966,3.3069,-1.4429;.8057,1.7804,2.5116;-.8271,-.4353,-.6657;-1.9752,-4.537,-1.1856;.1327,-5.2512,-.1182;3.4853,3.8809,-.2756;1.9455,4.269,-1.0188;3.3051,2.9086,-2.5511;3.5238,1.6517,-1.3385;1.9331,1.9224,-2.0617;3.1905,.1914,1.9429;2.3868,-1.8297,-1.758;5.5413,.4969,1.2567;4.7284,-1.5376,-2.4199;6.3276,-.3773,-.9266; 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 3343 GEPOL Volume 2908.3187 GEPOL Surface-area 1610.7920 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.05191795 3005.35352236 -4515.40544031 -8042.22603387 3526.82059356 -0.02824571 -3013.97039723 1503.91847928 2.00407831 108.999987227388 108.999987227388 217.999974454777 -135.238238914856 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 -1800.5622 -674.9853 -524.7237 -524.1632 -282.0386 -281.5888 -281.5826 -281.3931 -280.8769 -280.0299 -279.9154 -279.8123 -279.7974 -279.7968 -279.7430 -279.7323 -279.6951 -279.6873 -279.6797 -279.5825 -279.5365 -279.4917 -279.4169 -279.3155 -279.1141 -279.0996 -278.7546 -278.6699 -278.6698 -145.6256 -100.6924 -100.6777 -100.6705 -36.8665 -33.0212 -32.3024 -27.0792 -26.5985 -26.4076 -24.9281 -24.2428 -24.1506 -23.6522 -23.4772 -23.4279 -23.0604 -22.8688 -22.0575 -21.3899 -21.3520 -20.5690 -20.4673 -20.0751 -19.6940 -19.4878 -19.1650 -18.6253 -18.4510 -18.0708 -17.3246 -17.3087 -16.8963 -16.3884 -16.1615 -16.0674 -15.9841 -15.6853 -15.2798 -15.1082 -14.9488 -14.8779 -14.7633 -14.7017 -14.4018 -14.3172 -14.2909 -14.2252 -13.9839 -13.9346 -13.8924 -13.7588 -13.5045 -13.3772 -13.2291 -13.1096 -13.0309 -12.9132 -12.7308 -12.6965 -12.5406 -12.5260 -12.3483 -12.2012 -12.0222 -11.7489 -11.7349 -11.4335 -11.3648 -11.3102 -11.1316 -10.4644 -10.3070 -9.8857 -9.4739 -9.4371 -9.3051 -8.9849 -8.5068 -8.2771 1.3956 1.5956 1.6457 1.8263 1.9479 2.0748 3.1196 3.4865 3.6841 3.7454 3.8860 3.9905 4.1556 4.1801 4.2839 4.5099 4.5735 4.6512 4.7664 4.8813 4.9574 5.0304 5.1158 5.2267 5.3485 5.3768 5.5616 5.6248 5.7122 5.8087 5.8736 5.9418 6.0516 6.0962 6.1531 6.2408 6.2684 6.3238 6.5323 6.6537 6.7014 6.7522 6.8512 6.9339 7.1445 7.1912 7.2762 7.3009 7.3962 7.5141 7.5459 7.6004 7.8275 7.8530 8.0007 8.0300 8.1479 8.2363 8.2982 8.3854 8.5528 8.5955 8.7503 8.8066 8.8866 8.9639 9.0857 9.1195 9.2628 9.3314 9.4152 9.5793 9.7265 9.8907 9.9660 10.0565 10.2008 10.3046 10.3763 10.5474 10.6272 10.6822 10.8576 10.9322 10.9478 11.0700 11.1037 11.2668 11.3522 11.3698 11.4026 11.5963 11.7083 11.8057 11.9136 12.0022 12.0832 12.1950 12.2107 12.3022 12.4732 12.6151 12.6218 12.6868 12.8406 12.8771 12.9617 13.0155 13.1155 13.1771 13.2352 13.3062 13.3471 13.4822 13.5008 13.5650 13.7636 13.8200 13.8808 13.9367 14.0099 14.0798 14.2083 14.2569 14.3102 14.4100 14.5289 14.5600 14.6356 14.7006 14.7572 14.8097 14.9243 14.9787 15.0631 15.1410 15.1584 15.2589 15.3370 15.3918 15.5791 15.6745 15.7648 15.7864 15.9106 16.0451 16.0671 16.1168 16.2056 16.2986 16.3382 16.4406 16.5200 16.5954 16.7256 16.9358 16.9765 17.0815 17.1399 17.2383 17.3718 17.5011 17.5935 17.6793 17.8329 17.9690 18.0531 18.1639 18.3746 18.4220 18.5096 18.6433 18.7453 18.9805 19.1427 19.3188 19.3693 19.4987 19.5608 19.6012 19.7232 19.8292 19.8860 19.9976 20.1206 20.1455 20.3510 20.4823 20.6066 20.7070 20.8277 20.9433 21.0197 21.2470 21.3308 21.4430 21.5817 21.6479 21.6758 21.9017 21.9712 22.0186 22.1905 22.3001 22.3673 22.5498 22.6744 22.7446 22.8543 22.9995 23.0766 23.1641 23.3524 23.5264 23.6623 23.7959 23.8565 23.8972 24.1851 24.2567 24.3005 24.4233 24.4569 24.7605 24.8841 24.9918 25.1259 25.2276 25.3469 25.4361 25.5334 25.6162 25.7393 25.7718 25.9110 26.0293 26.0486 26.1055 26.2722 26.3199 26.6295 26.6983 26.9137 27.1016 27.1410 27.2989 27.4216 27.4531 27.5566 27.5906 27.7446 27.8656 27.9646 28.2481 28.3612 28.4020 28.5268 28.6001 28.8273 28.9972 29.0570 29.1134 29.2341 29.4579 29.4713 29.6147 29.7304 29.8385 29.8942 30.0677 30.2165 30.3126 30.3900 30.4485 30.5901 30.7951 30.8325 31.0294 31.0764 31.1811 31.3677 31.4377 31.6735 31.7141 31.8050 31.8975 32.0019 32.1352 32.2159 32.3256 32.4596 32.5449 32.6913 32.7931 32.9663 33.0867 33.1359 33.2956 33.4477 33.4931 33.6777 33.7693 33.8596 33.9267 34.1466 34.2317 34.2592 34.3523 34.4542 34.5245 34.7173 34.8209 35.0087 35.0594 35.2717 35.3425 35.4675 35.5788 35.6053 35.7930 35.8903 36.0357 36.1004 36.3432 36.4641 36.5721 36.6095 36.7370 36.9096 37.0012 37.1971 37.2521 37.2850 37.3891 37.6007 37.6723 37.7766 37.8093 37.9910 38.0460 38.1123 38.1407 38.4097 38.5278 38.5562 38.6534 38.7330 38.8651 38.8824 39.0082 39.0695 39.3745 39.3908 39.4594 39.5629 39.7888 39.8799 39.9194 39.9906 40.0692 40.2196 40.3955 40.4661 40.5889 40.6847 40.7696 40.9670 41.0930 41.1231 41.2350 41.3953 41.4922 41.5786 41.5992 41.8360 41.9611 42.0866 42.1340 42.2649 42.3222 42.5518 42.5983 42.7255 42.8415 42.9565 43.1378 43.2291 43.3266 43.3445 43.5631 43.5977 43.7479 43.7942 43.8379 43.9476 44.0361 44.1385 44.2051 44.3691 44.5405 44.6377 44.6948 44.8676 44.9481 45.2022 45.3212 45.3719 45.4101 45.6127 45.6353 45.7579 45.9999 46.0972 46.3071 46.4127 46.4738 46.5581 46.7682 46.8548 46.9132 47.0560 47.1329 47.3242 47.4316 47.5683 47.7269 47.9017 48.0064 48.1457 48.3312 48.4824 48.6038 48.6850 48.7858 48.9287 49.0675 49.1973 49.3750 49.4949 49.6248 49.9642 50.0749 50.1645 50.3469 50.4492 50.6789 50.7505 50.9565 51.1521 51.2062 51.5091 51.7943 51.8664 52.0874 52.1960 52.2254 52.3730 52.5410 52.8180 53.0487 53.1234 53.3376 53.3528 53.7303 53.7835 53.9062 54.1095 54.2080 54.6661 55.1607 55.2862 55.3406 55.6605 55.8480 56.0643 56.1945 56.3025 56.4314 56.6844 56.9679 57.0145 57.1200 57.4090 57.6010 57.7955 57.9406 58.1203 58.2947 58.5062 58.8339 58.9641 59.0549 59.2495 59.3510 59.5788 59.8408 59.9928 60.2894 60.3538 60.6308 60.6840 60.8541 61.1204 61.4794 61.6549 61.8991 62.0610 62.6426 62.6719 62.9316 63.1515 63.4213 63.5611 63.7146 64.0149 64.1795 64.3219 64.4158 64.8042 65.0340 65.2202 65.2860 65.4598 65.6737 65.8958 66.0071 66.3383 66.4848 66.6932 66.8563 67.2153 67.4724 67.6143 67.8594 67.9246 68.1972 68.4185 68.5576 68.7708 69.0823 69.1175 69.3053 69.6627 69.7888 70.0896 70.3488 70.7219 71.1433 71.1944 71.5404 71.7595 72.2144 72.6696 72.8134 72.8879 73.0336 73.2143 73.2883 73.5744 73.8541 73.9873 74.0166 74.1762 74.3313 74.5378 74.7086 74.9188 75.0321 75.2009 75.3402 75.4726 75.6238 75.7528 76.0395 76.1467 76.2469 76.5008 76.6177 76.8620 76.9707 77.1028 77.3081 77.4944 77.6952 77.7153 77.9745 78.0094 78.1778 78.2077 78.3390 78.4681 78.5900 78.6544 78.7704 78.9698 79.1176 79.1432 79.2893 79.4292 79.4603 79.6307 79.7180 79.7368 79.8332 79.9202 80.1336 80.2085 80.2474 80.3514 80.4156 80.6232 80.7188 80.7769 80.8997 81.0887 81.2748 81.3617 81.5209 81.6613 81.8276 82.0140 82.0901 82.2850 82.5016 82.5909 82.7073 83.1141 83.2513 83.3276 83.4179 83.5128 83.5995 83.6510 83.8255 83.8788 83.9845 84.1116 84.1502 84.2414 84.3989 84.5568 84.6485 84.7688 84.9896 85.0343 85.1156 85.1997 85.3692 85.4427 85.5641 85.6419 85.7171 85.8235 85.8771 86.0640 86.0835 86.1652 86.2705 86.3664 86.4487 86.5933 86.7463 86.7973 86.8930 86.9489 87.0481 87.1251 87.2750 87.4216 87.5451 87.7290 87.7490 87.8368 88.0051 88.0477 88.2482 88.4017 88.4602 88.5444 88.6328 88.7231 88.8228 88.9166 89.0356 89.1212 89.1981 89.2578 89.4012 89.4214 89.5536 89.7697 89.9328 89.9733 90.0434 90.1494 90.2859 90.3476 90.3911 90.5941 90.6422 90.8352 91.0023 91.1338 91.2272 91.2951 91.3434 91.5027 91.6196 91.6326 91.8290 91.8866 92.0252 92.2079 92.2937 92.3837 92.4886 92.6543 92.7235 92.8855 93.0292 93.1119 93.3078 93.3688 93.4720 93.5120 93.6402 93.7171 93.7996 93.8581 94.0810 94.1074 94.2402 94.4455 94.5262 94.6308 94.7638 94.8479 94.8834 94.9965 95.0648 95.3478 95.4189 95.5103 95.5799 95.8042 95.8831 96.1415 96.2579 96.3757 96.5132 96.6226 96.6403 96.7610 96.8292 96.9989 97.0247 97.3107 97.4059 97.5389 97.6055 97.6742 97.8455 97.9127 98.1566 98.3279 98.4023 98.4420 98.5971 98.6660 98.7169 98.8646 98.9930 99.0857 99.1635 99.2992 99.3674 99.4561 99.5822 99.7249 99.8245 100.0215 100.1283 100.1655 100.3164 100.6191 100.6462 100.7650 100.8765 100.9622 101.1534 101.2590 101.4311 101.5146 101.6863 101.8538 101.9610 102.0557 102.2634 102.3366 102.7181 102.7997 102.8800 103.0496 103.1067 103.1830 103.3627 103.4803 103.6865 103.8636 104.1339 104.1745 104.4621 104.5735 104.6319 104.8319 104.8947 105.0440 105.1796 105.2822 105.4854 105.6156 105.6817 105.8474 105.8932 105.9523 106.0927 106.3326 106.4247 106.5527 106.6198 106.7779 106.8754 107.1752 107.2454 107.3493 107.4537 107.5900 107.7033 107.8933 107.9862 108.1116 108.1673 108.4948 108.6722 108.7611 108.8350 109.0129 109.2183 109.2432 109.4515 109.5541 109.6308 109.8693 110.0392 110.1152 110.2093 110.3307 110.4364 110.4847 110.6601 110.7451 110.9540 111.0535 111.1029 111.1477 111.4327 111.5742 111.8275 111.8924 112.0746 112.2246 112.3438 112.4450 112.6646 112.8044 112.9987 113.1079 113.3263 113.4588 113.6361 113.6590 113.7881 113.8554 114.0824 114.2004 114.4102 114.4798 114.6414 114.7445 114.8173 114.8666 114.9078 115.1541 115.2992 115.4151 115.5522 115.6514 115.7308 115.8390 116.0544 116.1099 116.2093 116.3488 116.4434 116.6100 116.7622 117.0019 117.1660 117.1988 117.3641 117.5063 117.5839 117.7080 117.9049 117.9642 118.0691 118.2127 118.4155 118.4228 118.5295 118.6311 118.6618 118.8674 118.9047 118.9840 119.0432 119.1651 119.2756 119.4320 119.5857 119.6338 119.7173 119.8600 119.8864 120.2167 120.3422 120.3486 120.5239 120.5408 120.6039 120.8748 120.9207 121.0323 121.0676 121.3075 121.4251 121.6335 121.8550 121.9641 122.0892 122.1994 122.4226 122.6384 122.8274 122.9398 123.1662 123.4667 123.5702 123.7318 123.8584 124.0109 124.3664 125.0057 125.0646 125.5284 125.7564 125.8154 125.9699 126.2530 126.3600 126.7059 126.7362 126.9184 127.0282 127.2369 127.4716 127.6119 127.6358 127.6537 128.0633 128.1437 128.2968 128.4529 128.6064 128.7817 128.9924 129.1032 129.4474 129.5972 129.8476 130.1486 130.2292 130.5739 130.6961 130.8709 131.0712 131.1605 131.2129 131.3905 131.5254 131.7181 131.8184 131.9211 132.0681 132.3149 132.4681 132.7204 132.7858 132.9221 133.0499 133.2634 133.3020 133.5434 134.2289 134.4424 134.6593 135.1171 135.2772 135.3396 135.6385 135.8675 136.3177 136.4162 136.5709 136.6847 136.8631 137.0298 137.2427 137.3208 137.5448 137.9464 138.2328 138.3914 138.6003 138.6835 138.9942 139.0940 139.2156 139.6835 139.8192 139.9463 140.2374 140.4214 140.6611 140.7912 140.8875 141.4518 141.4702 141.7751 141.9663 142.2157 142.9803 143.1522 143.3354 143.4160 143.7158 143.7755 143.8963 144.0552 144.1143 144.2877 144.5351 144.7392 144.7772 145.0518 145.3616 145.5756 145.8078 146.1964 146.5032 146.7917 147.0899 147.2317 147.3128 147.7401 148.0306 148.4901 148.5758 148.6793 148.8115 148.8700 148.9110 149.1891 149.3379 149.7533 149.8084 149.9318 150.3453 150.3723 150.5149 150.6585 150.8715 151.0484 151.1577 151.5763 151.8750 151.9389 152.3803 152.4204 152.8426 153.0526 153.0931 153.2145 153.5613 153.6325 154.1311 154.5492 155.0156 155.1644 155.2315 155.3301 156.0785 156.2081 156.4287 156.5525 156.7779 156.8768 157.0973 157.2413 157.5195 157.6257 157.7451 158.2295 158.6646 158.8506 159.0199 159.2392 159.8433 159.9691 160.2396 160.4232 161.4593 161.5397 162.1674 163.1515 163.3247 164.0348 164.1450 165.3844 167.8454 168.4313 169.4937 170.5989 171.4245 171.7478 174.3286 175.1608 176.9662 180.3198 181.1185 183.1124 186.8338 187.1632 187.4196 188.1435 189.0576 189.1519 189.6264 190.2620 190.3687 191.7458 192.0503 192.8375 193.7939 195.5520 196.2666 199.8687 201.8685 202.5506 206.2402 207.1669 208.3473 212.3854 230.3806 236.0592 241.2546 248.1962 249.0735 339.0010 617.6924 621.8625 623.3082 629.6549 630.1580 631.9970 632.6408 632.9050 634.3877 634.4557 635.0458 635.5370 637.1180 637.4123 638.0334 638.9585 639.6203 641.7774 642.6995 644.3753 644.8777 647.8183 654.0414 655.6177 658.2303 1213.3539 1216.2770 1564.6742 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 0.493392 -0.219961 -0.349301 -0.325021 -0.272978 -0.105481 -0.154473 -0.454612 -0.431281 -0.119273 -0.159680 -0.093941 0.000276 -0.229863 -0.330092 0.343865 -0.185690 -0.166950 0.150388 -0.186659 0.255374 0.042850 -0.250914 0.328926 -0.309027 -0.202712 -0.103750 -0.142022 -0.189703 0.085136 0.094292 0.076962 0.093655 0.100320 0.104993 0.105287 0.108528 0.109716 0.102447 0.086800 0.094182 0.146700 0.137806 0.140751 0.137093 0.109912 0.143021 0.149628 0.112411 0.097209 0.107382 0.049140 0.096706 0.148741 0.152025 0.158656 0.160482 0.158332 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 13.5066 9.2200 8.3493 8.3250 6.2730 6.1055 6.1545 6.4546 6.4313 6.1193 6.1597 6.0939 5.9997 6.2299 6.3301 5.6561 6.1857 6.1670 5.8496 6.1867 5.7446 5.9572 6.2509 5.6711 6.3090 6.2027 6.1038 6.1420 6.1897 0.9149 0.9057 0.9230 0.9063 0.8997 0.8950 0.8947 0.8915 0.8903 0.8976 0.9132 0.9058 0.8533 0.8622 0.8592 0.8629 0.8901 0.8570 0.8504 0.8876 0.9028 0.8926 0.9509 0.9033 0.8513 0.8480 0.8413 0.8395 0.8417 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 0.4934 -0.2200 -0.3493 -0.3250 -0.2730 -0.1055 -0.1545 -0.4546 -0.4313 -0.1193 -0.1597 -0.0939 0.0003 -0.2299 -0.3301 0.3439 -0.1857 -0.1670 0.1504 -0.1867 0.2554 0.0428 -0.2509 0.3289 -0.3090 -0.2027 -0.1038 -0.1420 -0.1897 0.0851 0.0943 0.0770 0.0937 0.1003 0.1050 0.1053 0.1085 0.1097 0.1024 0.0868 0.0942 0.1467 0.1378 0.1408 0.1371 0.1099 0.1430 0.1496 0.1124 0.0972 0.1074 0.0491 0.0967 0.1487 0.1520 0.1587 0.1605 0.1583 4.1358 1.0656 2.0390 2.0417 3.8252 3.8742 3.6855 3.9160 3.8962 3.8759 3.8724 3.8357 3.6720 3.8957 3.9878 3.6879 3.9116 3.8940 3.7401 3.9334 3.9819 3.8394 3.9130 3.5523 3.9620 3.8791 3.8525 3.8779 3.8813 1.0084 1.0129 0.9969 1.0042 1.0112 1.0099 1.0111 1.0076 1.0083 1.0085 1.0030 1.0006 0.9870 0.9896 1.0048 1.0114 1.0252 0.9988 0.9985 0.9920 0.9987 1.0142 1.0123 0.9998 1.0095 1.0054 0.9898 0.9901 0.9904 4.1358 1.0656 2.0390 2.0417 3.8252 3.8742 3.6855 3.9160 3.8962 3.8759 3.8724 3.8357 3.6720 3.8957 3.9878 3.6879 3.9116 3.8940 3.7401 3.9334 3.9819 3.8394 3.9130 3.5523 3.9620 3.8791 3.8525 3.8779 3.8813 1.0084 1.0129 0.9969 1.0042 1.0112 1.0099 1.0111 1.0076 1.0083 1.0085 1.0030 1.0006 0.9870 0.9896 1.0048 1.0114 1.0252 0.9988 0.9985 0.9920 0.9987 1.0142 1.0123 0.9998 1.0095 1.0054 0.9898 0.9901 0.9904 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.9512 0.9920 0.9719 0.9673 1.0245 1.0645 0.8866 0.9106 0.9416 0.9064 0.9842 0.9751 0.9322 1.0085 0.9944 1.3213 1.3085 0.9768 0.9733 0.9756 0.9735 0.9724 0.9744 0.9415 1.0172 0.9768 1.4369 0.9815 1.4663 0.9928 1.3373 1.3719 1.3094 0.9850 1.3028 1.0152 1.3931 0.9801 1.4147 0.9879 1.3742 1.4451 0.9882 0.9436 0.9795 0.9994 0.9889 0.9880 0.9926 1.3105 1.3328 1.4367 1.0003 1.4062 0.9792 1.3848 0.9859 1.4165 0.9824 0.9899 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 -0.035125943 -1510.087043893019 -19.90130 19.22630 -0.67499 17.22240 -17.13398 0.08842 -9.11715 7.44407 -1.67307 1.80627 4.59117