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:-3.0742,1.5586,-.3746;1.6835,-4.5106,-1.3524;2.4449,3.454,1.2554;1.6755,-2.375,.2918;-3.1118,-.328,-.5397;-3.34,-1.096,.7633;-1.3565,2.1296,.154;-4.3365,2.1196,.9081;-3.4791,2.3278,-2.044;-3.2405,-2.6139,.6156;-.6517,1.4943,1.177;-.7227,3.2207,-.4526;-1.9162,-3.1213,.1043;.6136,1.9014,1.5813;.5341,3.6497,-.0648;1.2192,2.9875,.9549;-.7167,-2.5033,.4483;-1.8636,-4.2376,-.7278;.4918,-2.9691,-.0429;-.6586,-4.7271,-1.21;.5101,-4.0773,-.8739;3.1584,2.8762,2.3413;4.4912,3.5741,2.4461;2.0189,-1.1913,-.3013;3.2031,-.6137,.1432;1.2661,-.5763,-1.2941;3.6347,.58,-.4129;1.709,.6258,-1.8328;2.8899,1.2097,-1.4018;-3.9017,-.593,-1.2522;-2.1758,-.6413,-1.0146;-4.335,-.8642,1.1515;-2.6479,-.7639,1.5417;-4.3757,3.2096,.9702;-5.3439,1.771,.6691;-4.0909,1.7506,1.9063;-2.7668,2.0296,-2.8163;-4.4696,2.0117,-2.3797;-3.4888,3.4191,-2.0092;-3.4484,-3.0755,1.5867;-4.0293,-2.964,-.0556;-1.0851,.6454,1.6934;-1.2149,3.7603,-1.2538;1.1071,1.3592,2.3766;.9992,4.4958,-.5569;-.7065,-1.6328,1.094;-2.7816,-4.7381,-1.0106;-.6295,-5.5952,-1.8562;3.304,1.8039,2.1773;2.5896,2.9935,3.2704;5.0839,3.4459,1.5396;4.3726,4.6418,2.6349;5.057,3.1505,3.2762;3.7837,-1.1025,.9159;.3436,-1.0107,-1.6567;4.5604,1.0211,-.0656;1.1142,1.105,-2.5999;3.2233,2.1474,-1.8262; 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 2993.0004838706 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 5.334e-06 Time for diagonalization 0.412 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.406 sec Total time needed 0.829 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:-3.0742,1.5586,-.3746;1.6835,-4.5106,-1.3524;2.4449,3.454,1.2554;1.6755,-2.375,.2918;-3.1118,-.328,-.5397;-3.34,-1.096,.7633;-1.3565,2.1296,.154;-4.3365,2.1196,.9081;-3.4791,2.3278,-2.044;-3.2405,-2.6139,.6156;-.6517,1.4943,1.177;-.7227,3.2207,-.4526;-1.9162,-3.1213,.1043;.6136,1.9014,1.5813;.5341,3.6497,-.0648;1.2192,2.9875,.9549;-.7167,-2.5033,.4483;-1.8636,-4.2376,-.7278;.4918,-2.9691,-.0429;-.6586,-4.7271,-1.21;.5102,-4.0773,-.8739;3.1584,2.8762,2.3413;4.4912,3.5741,2.4461;2.0189,-1.1913,-.3013;3.2031,-.6137,.1432;1.2661,-.5763,-1.2941;3.6347,.58,-.4129;1.709,.6258,-1.8328;2.8899,1.2097,-1.4018;-3.9017,-.593,-1.2522;-2.1758,-.6413,-1.0146;-4.335,-.8642,1.1515;-2.6479,-.7639,1.5417;-4.3757,3.2096,.9702;-5.3439,1.771,.6691;-4.0909,1.7506,1.9063;-2.7668,2.0296,-2.8163;-4.4696,2.0117,-2.3797;-3.4888,3.4191,-2.0092;-3.4484,-3.0755,1.5867;-4.0293,-2.964,-.0556;-1.0851,.6454,1.6934;-1.2149,3.7603,-1.2538;1.1071,1.3592,2.3766;.9992,4.4958,-.5569;-.7065,-1.6328,1.094;-2.7816,-4.7381,-1.0106;-.6295,-5.5952,-1.8562;3.304,1.8039,2.1773;2.5896,2.9935,3.2704;5.0839,3.4459,1.5396;4.3726,4.6418,2.6349;5.057,3.1505,3.2762;3.7837,-1.1025,.9159;.3436,-1.0107,-1.6567;4.5604,1.0211,-.0656;1.1142,1.105,-2.5999;3.2233,2.1474,-1.8262; 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:-3.0742,1.5586,-.3746;1.6835,-4.5106,-1.3524;2.4449,3.454,1.2554;1.6755,-2.375,.2918;-3.1118,-.328,-.5397;-3.34,-1.096,.7633;-1.3565,2.1296,.154;-4.3365,2.1196,.9081;-3.4791,2.3278,-2.044;-3.2405,-2.6139,.6156;-.6517,1.4943,1.177;-.7227,3.2207,-.4526;-1.9162,-3.1213,.1043;.6136,1.9014,1.5813;.5341,3.6497,-.0648;1.2192,2.9875,.9549;-.7167,-2.5033,.4483;-1.8636,-4.2376,-.7278;.4918,-2.9691,-.0429;-.6586,-4.7271,-1.21;.5101,-4.0773,-.8739;3.1584,2.8762,2.3413;4.4912,3.5741,2.4461;2.0189,-1.1913,-.3013;3.2031,-.6137,.1432;1.2661,-.5763,-1.2941;3.6347,.58,-.4129;1.709,.6258,-1.8328;2.8899,1.2097,-1.4018;-3.9017,-.593,-1.2522;-2.1758,-.6413,-1.0146;-4.335,-.8642,1.1515;-2.6479,-.7639,1.5417;-4.3757,3.2096,.9702;-5.3439,1.771,.6691;-4.0909,1.7506,1.9063;-2.7668,2.0296,-2.8163;-4.4696,2.0117,-2.3797;-3.4888,3.4191,-2.0092;-3.4484,-3.0755,1.5867;-4.0293,-2.964,-.0556;-1.0851,.6454,1.6934;-1.2149,3.7603,-1.2538;1.1071,1.3592,2.3766;.9992,4.4958,-.5569;-.7065,-1.6328,1.094;-2.7816,-4.7381,-1.0106;-.6295,-5.5952,-1.8562;3.304,1.8039,2.1773;2.5896,2.9935,3.2704;5.0839,3.4459,1.5396;4.3726,4.6418,2.6349;5.057,3.1505,3.2762;3.7837,-1.1025,.9159;.3436,-1.0107,-1.6567;4.5604,1.0211,-.0656;1.1142,1.105,-2.5999;3.2233,2.1474,-1.8262; 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 3360 GEPOL Volume 2921.8083 GEPOL Surface-area 1617.4373 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1510.06910277 2993.00048387 -4503.06958665 -8016.48295140 3513.41336475 -0.02549149 -3013.97890310 1503.90980033 2.00409553 109.000222159128 109.000222159128 218.000444318256 -135.235888403688 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 -1800.6176 -674.9211 -524.6563 -524.1611 -282.0296 -281.5797 -281.5290 -281.3518 -280.9001 -280.0372 -279.9200 -279.8297 -279.7852 -279.7624 -279.7576 -279.6992 -279.6836 -279.6709 -279.6471 -279.5152 -279.5116 -279.4643 -279.4593 -279.3924 -279.2078 -279.1228 -278.8244 -278.6834 -278.6759 -145.6737 -100.7385 -100.7258 -100.7220 -36.8120 -32.9904 -32.3572 -27.0626 -26.5721 -26.3924 -24.9668 -24.2705 -24.1881 -23.5942 -23.5064 -23.4505 -23.0612 -22.7846 -22.0459 -21.4133 -21.3429 -20.6133 -20.4219 -20.0049 -19.6243 -19.3390 -19.1451 -18.6803 -18.4561 -18.0271 -17.5347 -17.4534 -16.8609 -16.3451 -16.1640 -16.0686 -15.9680 -15.6243 -15.6137 -15.3042 -14.9236 -14.8639 -14.6893 -14.5887 -14.4703 -14.3373 -14.2046 -13.9911 -13.9320 -13.8403 -13.7283 -13.6616 -13.4860 -13.4041 -13.3217 -13.1612 -13.0098 -12.9098 -12.8698 -12.6996 -12.4218 -12.3976 -12.3372 -12.1876 -12.1684 -11.9082 -11.7703 -11.4486 -11.4187 -11.2257 -11.1871 -10.4657 -10.3040 -9.9422 -9.4948 -9.3951 -9.2970 -8.8472 -8.5645 -8.2508 1.3057 1.6287 1.7207 1.9050 1.9395 2.0873 3.0097 3.3340 3.4439 3.7783 3.8132 3.8918 4.0934 4.2451 4.4218 4.4546 4.5121 4.5798 4.7345 4.8697 5.0060 5.1002 5.2207 5.2672 5.3405 5.4054 5.5384 5.6226 5.6404 5.7751 5.8709 5.9723 6.0342 6.1991 6.2801 6.3023 6.3545 6.4969 6.6041 6.6647 6.7324 6.8413 6.9189 6.9754 6.9947 7.1027 7.1211 7.1565 7.3634 7.4608 7.5626 7.6596 7.8433 7.9433 8.0910 8.1610 8.2281 8.2955 8.4328 8.5275 8.5382 8.6214 8.6442 8.7571 8.8091 8.9286 8.9621 9.2717 9.2922 9.5294 9.5583 9.6987 9.8005 9.8294 10.0490 10.1025 10.1869 10.2668 10.2783 10.4118 10.6158 10.6671 10.7860 10.8700 10.8846 10.9960 11.1546 11.2430 11.2858 11.3167 11.4861 11.6000 11.6300 11.7527 11.8679 11.9527 12.0318 12.1481 12.2655 12.3838 12.4598 12.5786 12.7181 12.7488 12.8501 12.9798 13.0257 13.0511 13.1274 13.1817 13.3248 13.4186 13.4857 13.5610 13.6668 13.7504 13.8405 13.8793 13.9917 14.0366 14.1014 14.1989 14.2335 14.3472 14.3742 14.5144 14.5464 14.6564 14.6932 14.8330 14.8562 14.9556 14.9859 15.0424 15.1723 15.2560 15.3694 15.4574 15.4973 15.5373 15.6680 15.7265 15.7482 15.8903 15.9638 16.0728 16.1301 16.1794 16.3163 16.3855 16.4209 16.5422 16.6714 16.7259 16.7664 16.8857 17.0662 17.1881 17.1935 17.3429 17.4111 17.5290 17.6449 17.7717 17.8351 17.9177 18.0384 18.1444 18.3704 18.4666 18.6242 18.7626 18.8821 18.9900 19.0584 19.2338 19.3097 19.3577 19.5844 19.8035 19.8576 19.9046 20.0078 20.1815 20.2419 20.3078 20.4137 20.5651 20.6128 20.6997 20.8164 20.9467 21.0861 21.1804 21.3488 21.4576 21.5584 21.6676 21.7900 21.9018 21.9513 22.1259 22.2086 22.3984 22.4193 22.5716 22.7505 22.8691 22.8999 22.9702 23.1905 23.4123 23.5528 23.6123 23.7709 23.8167 23.9155 24.0556 24.1100 24.1861 24.2627 24.3989 24.5143 24.6557 24.7223 24.8453 24.9786 25.0775 25.1359 25.2567 25.4155 25.5383 25.6165 25.7566 25.8763 25.9564 26.1660 26.2564 26.3697 26.4131 26.6386 26.7253 26.8281 27.0115 27.1204 27.1733 27.2838 27.3824 27.4918 27.5249 27.5792 27.7532 27.8015 27.9253 27.9925 28.0931 28.1520 28.4866 28.5439 28.6859 28.8817 29.0754 29.1640 29.2279 29.2946 29.5178 29.6361 29.6855 29.7982 30.0365 30.1042 30.2376 30.3543 30.5998 30.6334 30.6727 30.8096 30.9098 30.9487 31.0891 31.2783 31.3788 31.4483 31.6066 31.8171 31.8420 32.0213 32.1411 32.2232 32.3649 32.4316 32.4995 32.6391 32.6763 32.7580 32.9108 33.0190 33.2020 33.3120 33.3626 33.4126 33.5919 33.7016 33.8171 33.9717 34.0693 34.2682 34.3214 34.4858 34.6112 34.7112 34.8146 34.8845 34.9442 35.0632 35.2907 35.3663 35.4221 35.5616 35.6873 35.7982 35.9032 36.0399 36.2862 36.3173 36.4103 36.5294 36.5965 36.7893 36.9069 36.9816 37.1417 37.3281 37.4369 37.5850 37.8048 37.8836 38.0209 38.1068 38.2320 38.2892 38.4226 38.4843 38.5431 38.7725 38.7990 38.8630 38.9687 39.0628 39.2451 39.3118 39.3861 39.4074 39.4581 39.5914 39.6561 39.7598 39.8466 40.0175 40.1812 40.3507 40.3806 40.5095 40.6502 40.7732 40.9995 41.1358 41.2239 41.2533 41.3207 41.4264 41.5787 41.7491 41.8059 41.8729 41.9520 42.0333 42.1903 42.3370 42.4090 42.5287 42.7271 42.8398 42.9876 43.0902 43.1450 43.2002 43.2711 43.3480 43.4204 43.6926 43.7235 43.7918 43.8990 44.1271 44.1929 44.3025 44.3424 44.4587 44.5676 44.8105 44.8741 44.9789 45.0785 45.1385 45.2463 45.3174 45.4931 45.6266 45.6986 45.9246 46.0721 46.1345 46.2752 46.4775 46.5385 46.5658 46.9407 46.9926 47.1070 47.1892 47.2823 47.3820 47.5103 47.6766 47.7906 47.9768 48.0144 48.2645 48.4403 48.5175 48.6653 48.9125 48.9832 49.0991 49.2840 49.3967 49.5004 49.6055 49.7928 49.9039 50.1887 50.3245 50.3980 50.5501 50.6563 50.8065 51.0245 51.2142 51.4662 51.5690 51.7094 51.9123 52.0641 52.2251 52.4326 52.5942 52.6195 52.9601 53.0368 53.0590 53.3155 53.3688 53.6579 53.9897 54.3151 54.4663 54.6550 54.9198 55.0215 55.2539 55.2883 55.5557 55.6485 55.9351 56.1856 56.4882 56.6406 56.9805 57.1308 57.3404 57.4730 57.6010 57.8501 58.0887 58.2332 58.2985 58.6521 58.8201 58.8715 58.9324 59.1959 59.3293 59.4586 59.5593 59.7442 59.8573 60.2132 60.3278 60.5989 60.9882 61.2370 61.3939 61.5105 61.7476 61.8699 62.1444 62.3591 62.5827 62.7410 63.0551 63.2441 63.3724 63.4500 63.9847 64.0524 64.4060 64.5466 64.7407 64.9014 64.9673 65.2842 65.4577 65.8347 65.9061 66.1233 66.2573 66.4298 66.8136 67.1554 67.2728 67.5911 67.5978 67.6360 67.8674 67.9970 68.2643 68.4756 68.5728 68.8289 68.9422 69.1578 69.4423 69.6061 70.0431 70.2078 70.7289 71.1860 71.2716 71.6728 71.8223 71.9501 72.1521 72.4238 72.6728 72.9195 73.0085 73.1641 73.3956 73.4426 73.6232 73.7948 74.0316 74.1275 74.2031 74.5164 74.7204 74.9782 75.1719 75.2709 75.3681 75.6694 75.7843 75.9749 76.2466 76.4193 76.6409 76.7596 76.8145 77.0714 77.1201 77.3449 77.4496 77.6713 77.7942 77.8796 77.9783 78.1107 78.2245 78.3860 78.5768 78.7786 78.8313 78.9129 79.1008 79.1712 79.2122 79.3298 79.4576 79.5411 79.5984 79.6906 79.7984 79.9082 80.0093 80.1548 80.2646 80.4701 80.5174 80.7205 80.7402 80.8956 81.0876 81.1340 81.2279 81.3459 81.4146 81.5415 81.6208 81.8446 81.9911 82.0848 82.2536 82.4404 82.5075 82.5939 82.7157 82.9318 83.0208 83.1062 83.2332 83.3903 83.5898 83.8059 83.9100 83.9290 84.0009 84.0098 84.2365 84.3347 84.4465 84.5985 84.7187 84.7873 84.8690 85.0334 85.2441 85.3213 85.3835 85.4551 85.5406 85.5626 85.6727 85.8687 86.0956 86.1316 86.2064 86.2635 86.3279 86.4596 86.5153 86.6618 86.7625 86.9165 86.9854 87.0638 87.1587 87.2625 87.3800 87.5027 87.5242 87.6184 87.7843 87.8597 87.9288 88.1400 88.2122 88.3503 88.4404 88.5048 88.6421 88.7693 88.8252 88.9458 89.1131 89.1471 89.3161 89.4998 89.5321 89.6123 89.7599 89.8763 89.8878 89.9822 90.0603 90.1982 90.2842 90.3967 90.4952 90.6703 90.7777 90.8637 90.9274 91.0430 91.1067 91.2836 91.4390 91.6447 91.7017 91.7953 91.9174 92.0656 92.2116 92.3957 92.4949 92.6018 92.7681 92.9436 93.0880 93.2069 93.2131 93.3141 93.4724 93.5487 93.6425 93.6974 93.8263 93.8764 93.8968 93.9829 94.1664 94.1953 94.5041 94.5557 94.7794 94.9008 95.0122 95.0987 95.1663 95.2580 95.2978 95.4899 95.5370 95.6153 95.7111 95.8102 95.8634 96.0609 96.1624 96.2843 96.3443 96.5960 96.7384 96.7711 96.9225 97.0288 97.1639 97.2476 97.3762 97.4842 97.5283 97.7005 97.8379 98.1350 98.2505 98.2690 98.3450 98.4131 98.5612 98.6588 98.7968 98.8971 99.0109 99.0858 99.2370 99.5624 99.6117 99.7363 99.8450 99.8730 100.0425 100.1279 100.3166 100.4331 100.5084 100.6798 100.7167 100.8711 101.0555 101.2042 101.3533 101.6321 101.7330 101.7498 101.8343 101.9372 102.1835 102.3262 102.6096 102.6449 102.8871 102.9876 103.1617 103.4275 103.5466 103.5854 103.7614 103.9111 104.0051 104.1311 104.2380 104.4022 104.6245 104.8088 104.8389 104.9461 105.1757 105.2059 105.2843 105.3708 105.4966 105.7737 105.8535 105.9398 106.1354 106.2270 106.3282 106.5065 106.5520 106.7072 106.8445 107.0189 107.1981 107.2969 107.4259 107.5412 107.6085 107.8097 108.0734 108.1178 108.1765 108.2302 108.4460 108.5240 108.6614 108.8254 108.8572 109.1207 109.2545 109.3878 109.4207 109.6212 109.7987 109.9056 109.9936 110.1498 110.2283 110.4074 110.4347 110.5476 110.8134 111.0224 111.1417 111.3009 111.3808 111.5290 111.6144 111.7826 112.0284 112.1125 112.2785 112.3550 112.5009 112.5814 112.7384 112.8804 112.9693 113.2338 113.3592 113.4945 113.7213 113.7865 113.8505 113.9594 114.1258 114.2834 114.3225 114.4618 114.5923 114.7080 114.9031 114.9225 114.9935 115.1300 115.2983 115.5624 115.6257 115.7822 115.8373 115.9352 116.0361 116.3557 116.4926 116.6395 116.6731 116.7080 116.9094 117.0222 117.1066 117.2574 117.4626 117.5735 117.6753 117.8102 118.0821 118.1433 118.2488 118.3110 118.4085 118.5816 118.6070 118.7064 118.8581 118.9064 119.0794 119.1564 119.2249 119.3367 119.4179 119.5588 119.6229 119.7645 119.8652 120.0147 120.1007 120.2265 120.3204 120.4938 120.5742 120.6599 120.8763 120.9314 121.0827 121.2067 121.3633 121.4771 121.6343 121.7432 121.9994 122.2322 122.2654 122.5274 122.5968 122.7776 122.9282 123.1468 123.3036 123.4941 124.0021 124.1499 124.4758 124.5916 125.2352 125.4615 125.5755 125.6988 125.8862 126.1137 126.1848 126.4949 126.6484 126.7638 126.8181 127.0414 127.1994 127.4002 127.4205 127.4768 127.7232 127.7831 127.9675 128.1882 128.3811 128.5597 128.7395 128.9749 129.1492 129.4453 129.5419 130.0193 130.2272 130.3328 130.7337 130.8374 131.0275 131.2614 131.3480 131.4474 131.6083 131.6638 131.8838 131.9398 132.0022 132.2507 132.3231 132.4359 132.8287 133.0302 133.1825 133.2869 133.6417 133.7206 133.8475 134.2189 134.3660 134.6512 134.7744 134.9850 135.2436 135.6120 136.0139 136.1540 136.5066 136.5961 136.6685 136.9453 137.0359 137.2066 137.6082 137.9638 138.0701 138.4074 138.5626 138.8222 138.9036 138.9656 139.0905 139.2191 139.3618 139.7446 140.0562 140.2059 140.3885 140.6093 140.7277 141.1226 141.4617 141.6473 141.9413 142.0329 142.3033 142.9000 143.0279 143.1487 143.3131 143.3782 143.6298 143.7326 143.9631 144.1654 144.3516 144.6290 144.7554 144.9095 145.1086 145.2043 145.3102 145.4737 146.2828 146.4824 146.8552 147.1766 147.5827 147.7660 148.0487 148.1264 148.4349 148.4863 148.5379 148.6816 148.8150 148.9635 149.1866 149.4372 149.5864 149.8097 150.0614 150.1824 150.2472 150.3715 150.5445 150.5674 150.6617 150.7627 151.2637 151.6853 151.9431 152.0837 152.1749 152.6047 153.0268 153.3254 153.5976 153.8380 154.1988 154.2507 154.3135 154.8753 155.3647 155.7051 156.0283 156.0976 156.3136 156.3905 156.6670 156.8907 157.0657 157.1005 157.2495 157.3597 157.8035 157.8996 158.1665 158.3884 158.7154 158.9807 159.2401 159.4053 159.8566 160.3039 160.6271 161.5255 162.0125 162.1513 162.9497 163.1423 164.5132 164.5909 165.3412 166.6076 168.9393 169.6325 170.2561 171.8515 172.6324 174.2232 175.8587 178.3345 179.8514 181.2248 181.9845 185.5640 186.1685 186.8639 188.1441 189.1139 189.3987 189.4837 190.2842 190.6697 191.1727 192.6659 192.8030 193.1131 195.5957 196.7764 199.7503 201.1500 203.6066 206.1808 207.0174 208.1383 212.4834 229.9051 235.9323 241.2017 248.0007 248.9868 338.2715 618.3559 620.1911 626.2715 629.8680 630.5185 632.6171 632.9886 633.5365 634.7445 634.9024 635.0773 636.4976 637.2939 637.6400 637.8600 638.6632 640.7456 641.6473 642.4408 643.6417 645.5784 646.6368 654.2701 655.6825 658.6985 1215.0334 1215.9757 1563.4432 -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 0.489816 -0.216248 -0.326448 -0.331204 -0.269348 -0.125725 -0.161759 -0.419795 -0.455864 -0.111538 -0.197848 -0.086479 0.016094 -0.230126 -0.301993 0.356230 -0.233914 -0.169273 0.189429 -0.185943 0.226993 0.040348 -0.270777 0.349502 -0.250408 -0.226601 -0.138785 -0.175197 -0.162830 0.094662 0.079737 0.092234 0.083511 0.107446 0.106235 0.103239 0.107576 0.106088 0.099624 0.094034 0.084007 0.162202 0.137708 0.131988 0.127868 0.146413 0.140352 0.147908 0.089202 0.109610 0.084436 0.090981 0.090481 0.140351 0.155107 0.159028 0.156030 0.151634 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 13.5102 9.2162 8.3264 8.3312 6.2693 6.1257 6.1618 6.4198 6.4559 6.1115 6.1978 6.0865 5.9839 6.2301 6.3020 5.6438 6.2339 6.1693 5.8106 6.1859 5.7730 5.9597 6.2708 5.6505 6.2504 6.2266 6.1388 6.1752 6.1628 0.9053 0.9203 0.9078 0.9165 0.8926 0.8938 0.8968 0.8924 0.8939 0.9004 0.9060 0.9160 0.8378 0.8623 0.8680 0.8721 0.8536 0.8596 0.8521 0.9108 0.8904 0.9156 0.9090 0.9095 0.8596 0.8449 0.8410 0.8440 0.8484 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 0.4898 -0.2162 -0.3264 -0.3312 -0.2693 -0.1257 -0.1618 -0.4198 -0.4559 -0.1115 -0.1978 -0.0865 0.0161 -0.2301 -0.3020 0.3562 -0.2339 -0.1693 0.1894 -0.1859 0.2270 0.0403 -0.2708 0.3495 -0.2504 -0.2266 -0.1388 -0.1752 -0.1628 0.0947 0.0797 0.0922 0.0835 0.1074 0.1062 0.1032 0.1076 0.1061 0.0996 0.0940 0.0840 0.1622 0.1377 0.1320 0.1279 0.1464 0.1404 0.1479 0.0892 0.1096 0.0844 0.0910 0.0905 0.1404 0.1551 0.1590 0.1560 0.1516 4.1098 1.0726 2.0504 2.0898 3.8513 3.8882 3.7468 3.8826 3.9201 3.8700 3.8369 3.7998 3.6487 3.8500 4.0375 3.6536 3.9264 3.9032 3.6980 3.8901 4.0499 3.8042 3.9694 3.6298 3.9546 3.8260 3.8517 3.8704 3.8253 1.0117 1.0130 1.0054 1.0015 1.0116 1.0055 1.0058 1.0080 1.0116 1.0107 1.0011 1.0060 0.9741 0.9879 1.0151 1.0172 1.0096 0.9999 0.9985 0.9810 0.9912 1.0048 1.0041 1.0055 1.0119 1.0043 0.9838 0.9941 0.9951 4.1098 1.0726 2.0504 2.0898 3.8513 3.8882 3.7468 3.8826 3.9201 3.8700 3.8369 3.7998 3.6487 3.8500 4.0375 3.6536 3.9264 3.9032 3.6980 3.8901 4.0499 3.8042 3.9694 3.6298 3.9546 3.8260 3.8517 3.8704 3.8253 1.0117 1.0130 1.0054 1.0015 1.0116 1.0055 1.0058 1.0080 1.0116 1.0107 1.0011 1.0060 0.9741 0.9879 1.0151 1.0172 1.0096 0.9999 0.9985 0.9810 0.9912 1.0048 1.0041 1.0055 1.0119 1.0043 0.9838 0.9941 0.9951 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.9457 1.0270 0.9550 0.9656 1.0661 1.0673 0.8766 0.9165 0.9883 0.9215 0.9765 0.9856 0.9382 0.9956 1.0034 1.3219 1.2909 0.9741 0.9722 0.9732 0.9756 0.9734 0.9770 0.9302 0.9804 1.0205 1.4169 0.9727 1.4750 0.9910 1.3380 1.3763 1.2788 0.9930 1.3145 1.0110 1.3810 0.9715 1.4102 0.9834 1.3956 1.4162 0.9849 0.9694 0.9740 0.9755 0.9899 0.9954 0.9907 1.3424 1.3091 1.4339 1.0003 1.3744 0.9799 1.3542 0.9908 1.3888 0.9892 1.0069 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 -0.035750835 -1510.104853609374 -16.26743 15.21549 -1.05195 24.21839 -24.11661 0.10177 7.32860 -6.74609 0.58251 1.20676 3.06735