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:-3.4199,1.1318,1.1834;1.5775,-4.4457,-.3403;2.0395,3.5768,.2162;1.7353,-2.1312,-1.7865;-3.4447,-.5468,.3206;-3.2987,-.4504,-1.1966;-1.7313,1.9183,.8817;-3.7062,.9007,3.0316;-4.7492,2.2625,.4726;-3.143,-1.8078,-1.887;-1.5599,3.302,.8855;-.5878,1.144,.6469;-1.8909,-2.5311,-1.4743;-.3233,3.9029,.6733;.6512,1.7169,.4272;.7932,3.105,.4401;-.6408,-1.9966,-1.7876;-1.9403,-3.7168,-.7504;.5227,-2.6388,-1.4066;-.778,-4.3715,-.3578;.4401,-3.8305,-.698;2.25,4.9831,.191;3.7082,5.2314,-.1076;2.6213,-1.7116,-.8271;2.2641,-1.482,.4946;3.9247,-1.4907,-1.257;3.2292,-1.0366,1.389;4.8736,-1.0413,-.353;4.5341,-.8153,.9755;-2.6434,-1.163,.744;-4.3759,-1.0661,.5718;-2.441,.1774,-1.457;-4.1734,.0515,-1.6181;-2.9597,.2363,3.4712;-3.6529,1.8517,3.5653;-4.6889,.4677,3.2307;-4.7866,3.2228,.9903;-4.5816,2.4681,-.5863;-5.7378,1.8081,.5668;-4.0122,-2.4313,-1.6655;-3.1338,-1.6557,-2.9698;-2.4105,3.9523,1.0578;-.6569,.0612,.6285;-.2531,4.9822,.6893;1.52,1.0965,.2429;-.564,-1.0699,-2.345;-2.8992,-4.1454,-.488;-.8205,-5.2967,.2021;1.9767,5.4241,1.1551;1.6203,5.4464,-.5754;3.8924,6.305,-.1324;4.3545,4.8,.6572;3.9939,4.8216,-1.0766;1.2469,-1.6267,.8367;4.1874,-1.671,-2.2919;2.9464,-.8579,2.418;5.8879,-.8716,-.69;5.2795,-.4685,1.6783; 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 2897.0239020515 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 5.398e-06 Time for diagonalization 0.385 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.399 sec Total time needed 0.792 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:-3.4199,1.1318,1.1834;1.5775,-4.4457,-.3403;2.0395,3.5768,.2162;1.7353,-2.1312,-1.7865;-3.4447,-.5469,.3206;-3.2987,-.4504,-1.1966;-1.7313,1.9183,.8817;-3.7062,.9007,3.0316;-4.7492,2.2625,.4726;-3.143,-1.8078,-1.887;-1.5599,3.302,.8855;-.5878,1.144,.6469;-1.8909,-2.5311,-1.4743;-.3233,3.9029,.6733;.6512,1.7169,.4272;.7932,3.105,.4401;-.6408,-1.9966,-1.7876;-1.9403,-3.7168,-.7504;.5227,-2.6388,-1.4066;-.778,-4.3715,-.3578;.4401,-3.8305,-.698;2.25,4.9831,.191;3.7082,5.2314,-.1076;2.6213,-1.7116,-.8271;2.2641,-1.482,.4946;3.9247,-1.4907,-1.257;3.2292,-1.0366,1.389;4.8736,-1.0413,-.353;4.5341,-.8153,.9755;-2.6434,-1.163,.744;-4.3759,-1.0661,.5718;-2.441,.1774,-1.457;-4.1734,.0515,-1.6181;-2.9597,.2363,3.4712;-3.6529,1.8517,3.5653;-4.6888,.4677,3.2307;-4.7866,3.2228,.9903;-4.5816,2.4681,-.5863;-5.7378,1.8081,.5668;-4.0122,-2.4313,-1.6655;-3.1338,-1.6557,-2.9698;-2.4105,3.9523,1.0578;-.6569,.0612,.6285;-.2531,4.9822,.6893;1.52,1.0965,.2429;-.564,-1.0699,-2.345;-2.8992,-4.1454,-.488;-.8205,-5.2967,.2021;1.9767,5.4241,1.1551;1.6203,5.4464,-.5754;3.8924,6.305,-.1324;4.3545,4.8,.6572;3.9939,4.8216,-1.0766;1.2469,-1.6267,.8367;4.1874,-1.671,-2.2919;2.9464,-.8579,2.418;5.8879,-.8716,-.69;5.2795,-.4685,1.6783; 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:-3.4199,1.1318,1.1834;1.5775,-4.4457,-.3403;2.0395,3.5768,.2162;1.7353,-2.1312,-1.7865;-3.4447,-.5468,.3206;-3.2987,-.4504,-1.1966;-1.7313,1.9183,.8817;-3.7062,.9007,3.0316;-4.7492,2.2625,.4726;-3.143,-1.8078,-1.887;-1.5599,3.302,.8855;-.5878,1.144,.6469;-1.8909,-2.5311,-1.4743;-.3233,3.9029,.6733;.6512,1.7169,.4272;.7932,3.105,.4401;-.6408,-1.9966,-1.7876;-1.9403,-3.7168,-.7504;.5227,-2.6388,-1.4066;-.778,-4.3715,-.3578;.4401,-3.8305,-.698;2.25,4.9831,.191;3.7082,5.2314,-.1076;2.6213,-1.7116,-.8271;2.2641,-1.482,.4946;3.9247,-1.4907,-1.257;3.2292,-1.0366,1.389;4.8736,-1.0413,-.353;4.5341,-.8153,.9755;-2.6434,-1.163,.744;-4.3759,-1.0661,.5718;-2.441,.1774,-1.457;-4.1734,.0515,-1.6181;-2.9597,.2363,3.4712;-3.6529,1.8517,3.5653;-4.6889,.4677,3.2307;-4.7866,3.2228,.9903;-4.5816,2.4681,-.5863;-5.7378,1.8081,.5668;-4.0122,-2.4313,-1.6655;-3.1338,-1.6557,-2.9698;-2.4105,3.9523,1.0578;-.6569,.0612,.6285;-.2531,4.9822,.6893;1.52,1.0965,.2429;-.564,-1.0699,-2.345;-2.8992,-4.1454,-.488;-.8205,-5.2967,.2021;1.9767,5.4241,1.1551;1.6203,5.4464,-.5754;3.8924,6.305,-.1324;4.3545,4.8,.6572;3.9939,4.8216,-1.0766;1.2469,-1.6267,.8367;4.1874,-1.671,-2.2919;2.9464,-.8579,2.418;5.8879,-.8716,-.69;5.2795,-.4685,1.6783; 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 3392 GEPOL Volume 2932.1081 GEPOL Surface-area 1646.2622 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.05475990 2897.02390205 -4407.07866195 -7824.77086369 3417.69220175 -0.02791082 -3013.95929874 1503.90453884 2.00408950 109.000090563055 109.000090563055 218.000181126109 -135.229682299552 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 -1800.5819 -674.9899 -524.7415 -524.1872 -282.0623 -281.6127 -281.5950 -281.3873 -280.8891 -279.9953 -279.9240 -279.8267 -279.8081 -279.8045 -279.7687 -279.7304 -279.7138 -279.7000 -279.6968 -279.5778 -279.5464 -279.4834 -279.3868 -279.3388 -279.1762 -279.1363 -278.7783 -278.6568 -278.6557 -145.6412 -100.7083 -100.6928 -100.6870 -36.8666 -33.0101 -32.3435 -27.0888 -26.6092 -26.4262 -24.9491 -24.2584 -24.2240 -23.6679 -23.5207 -23.4428 -23.0553 -22.7936 -22.0294 -21.3693 -21.3206 -20.5818 -20.4077 -20.0885 -19.6876 -19.3607 -19.1578 -18.6889 -18.4523 -18.0655 -17.5281 -17.3329 -16.9127 -16.4255 -16.1458 -16.0374 -15.9484 -15.6958 -15.6332 -15.3552 -14.9179 -14.8109 -14.6860 -14.6716 -14.4164 -14.2979 -14.2533 -14.0247 -13.8825 -13.8217 -13.7661 -13.7021 -13.4765 -13.3914 -13.3061 -13.2050 -13.0023 -12.8971 -12.8538 -12.6573 -12.5088 -12.4114 -12.3172 -12.2848 -12.1665 -11.9359 -11.7482 -11.4022 -11.3544 -11.3073 -11.1897 -10.4368 -10.3351 -9.9473 -9.4677 -9.4370 -9.3168 -8.9761 -8.5457 -8.3369 1.3533 1.5673 1.6694 1.8435 1.9226 2.1005 3.0859 3.5286 3.5370 3.7176 3.8670 3.9801 4.1554 4.2274 4.3216 4.4620 4.6158 4.7372 4.7736 4.9387 5.0650 5.0902 5.1503 5.2281 5.2912 5.3323 5.5580 5.6424 5.6794 5.7584 5.7739 5.9624 6.0099 6.0510 6.1374 6.1844 6.2296 6.2940 6.4271 6.4927 6.5649 6.7453 6.7786 6.8778 6.9540 6.9567 7.1470 7.1741 7.2511 7.4209 7.4918 7.5625 7.7147 7.7487 7.9914 8.0474 8.1157 8.1689 8.2438 8.4127 8.4604 8.5859 8.6169 8.6795 8.8033 8.8858 9.0543 9.1366 9.2075 9.2483 9.3894 9.4115 9.6428 9.7079 9.7438 9.9182 9.9505 10.1028 10.2092 10.3427 10.4356 10.4707 10.5343 10.6335 10.7830 10.9997 11.0688 11.0803 11.2433 11.2966 11.3331 11.3671 11.4561 11.5251 11.6413 11.7853 11.7987 11.9667 11.9915 12.1372 12.2189 12.3660 12.4922 12.6294 12.6933 12.7416 12.8705 12.9502 12.9960 13.0849 13.1733 13.2372 13.3458 13.4210 13.5382 13.5647 13.6211 13.7006 13.7629 13.7981 13.8514 13.9751 14.0458 14.1046 14.1432 14.2389 14.2781 14.3474 14.4788 14.6141 14.6726 14.7706 14.7905 14.8190 14.8941 14.9449 15.0725 15.0841 15.2007 15.3369 15.3524 15.3980 15.5185 15.5887 15.7050 15.8481 15.8825 15.9708 15.9874 16.0288 16.1822 16.2391 16.3014 16.3767 16.4165 16.5576 16.6445 16.7159 16.7906 16.8679 17.1410 17.2709 17.3683 17.4902 17.6500 17.7422 17.9022 17.9870 18.0691 18.1312 18.2333 18.4828 18.5320 18.7439 18.7650 18.9433 19.0306 19.0969 19.3523 19.4816 19.5717 19.6504 19.8083 19.9507 20.0601 20.1192 20.2261 20.3278 20.5166 20.6691 20.6795 20.9396 21.0737 21.1724 21.2487 21.3197 21.3481 21.4227 21.5811 21.6156 21.7895 21.8463 21.9206 22.0639 22.1468 22.3111 22.3601 22.4544 22.6647 22.7396 22.7991 22.9780 23.0450 23.2200 23.4204 23.4928 23.6469 23.7605 23.7972 23.9477 23.9768 24.0665 24.4134 24.4983 24.6916 24.7459 24.7677 24.8709 25.0552 25.1008 25.2586 25.3117 25.4131 25.6145 25.6619 25.7442 25.8480 26.0091 26.1247 26.1506 26.3193 26.4991 26.5995 26.7437 26.8477 26.9017 27.0927 27.1358 27.2760 27.3481 27.4772 27.5183 27.6628 27.6715 27.7708 27.9904 28.2058 28.3971 28.5215 28.5650 28.6689 28.8073 28.9550 29.0125 29.1335 29.1832 29.3937 29.4812 29.5567 29.6391 29.7573 29.9079 29.9285 30.0063 30.2393 30.2577 30.2701 30.4097 30.5966 30.8708 31.0116 31.1198 31.2507 31.2547 31.4385 31.5237 31.5754 31.7421 31.8490 31.9140 32.0576 32.0788 32.3277 32.3653 32.5221 32.6047 32.6896 32.7119 33.0191 33.1928 33.2862 33.2943 33.3690 33.5640 33.6658 33.7753 33.8850 33.9495 34.0599 34.1431 34.2635 34.3410 34.5433 34.6860 34.7632 34.8055 34.8419 35.1119 35.1488 35.4344 35.4659 35.5623 35.7455 35.8528 35.9813 36.1067 36.4364 36.4804 36.6464 36.8102 36.8982 36.9438 37.1378 37.2359 37.3359 37.4411 37.5898 37.6609 37.7972 37.9081 37.9981 38.0675 38.1794 38.2907 38.3778 38.5064 38.5190 38.6718 38.6914 38.8977 38.9466 38.9638 39.1291 39.3358 39.3871 39.5040 39.6726 39.6970 39.8354 39.8800 40.0532 40.1016 40.2581 40.4306 40.5509 40.5858 40.9007 40.9868 41.0455 41.1527 41.2307 41.3419 41.3677 41.5268 41.5626 41.6361 41.8727 41.9558 42.2081 42.2909 42.3680 42.4930 42.5379 42.5979 42.6925 42.8381 42.9265 43.0589 43.1199 43.1896 43.3526 43.4704 43.5080 43.6363 43.7206 43.8466 43.8757 44.1763 44.2132 44.4137 44.4501 44.6410 44.6782 44.7036 44.8285 44.8723 44.9756 45.1097 45.1912 45.2615 45.3874 45.5215 45.6326 45.8555 45.9158 46.0442 46.0957 46.3234 46.3796 46.4895 46.5607 46.8489 46.9230 46.9426 47.1589 47.2691 47.3450 47.4943 47.7497 47.8793 47.9504 48.0788 48.3214 48.4012 48.4329 48.5331 48.8557 49.0392 49.1539 49.2235 49.5409 49.6382 49.7923 49.8999 50.1033 50.2015 50.4690 50.6894 50.7986 50.9222 51.2998 51.3766 51.5562 51.6607 51.9206 52.1631 52.3197 52.4441 52.5544 52.8133 53.0285 53.0983 53.2867 53.4702 53.6946 53.8399 54.0000 54.2664 54.5057 54.7001 54.8538 55.2060 55.5073 55.5779 55.6493 56.0010 56.0771 56.3869 56.5049 56.7224 56.8771 57.2743 57.3714 57.6509 57.7121 57.9140 58.1016 58.1357 58.2573 58.4316 58.7558 58.8844 58.9008 59.0924 59.1741 59.6076 59.7405 60.0244 60.2670 60.3279 60.5603 60.6538 60.9122 61.2500 61.4797 61.6092 61.8533 61.9457 62.0901 62.5289 62.7309 62.8989 63.1063 63.3290 63.3904 63.7935 63.8862 64.2252 64.5163 64.7411 64.8276 65.0672 65.2151 65.3649 65.6905 65.8626 65.9940 66.2269 66.7235 66.7694 67.1590 67.4391 67.4698 67.7608 67.8716 67.9795 68.0900 68.3109 68.6296 68.6674 68.9652 69.2467 69.2990 69.8708 69.9318 70.1762 70.5537 70.6474 70.9017 70.9934 71.3778 71.7466 71.8605 72.1152 72.2442 72.3617 72.4653 72.7807 72.9167 73.1140 73.1868 73.3753 73.5440 73.9427 74.0203 74.2898 74.4655 74.8366 74.9780 75.0939 75.4680 75.5386 75.6830 75.7810 75.9600 76.1119 76.3264 76.6775 76.7204 76.8573 76.9397 77.0518 77.1992 77.3024 77.5251 77.6558 77.8824 77.9309 78.0490 78.1267 78.2875 78.4119 78.6149 78.7922 78.8452 79.0186 79.1506 79.2296 79.3113 79.4002 79.4637 79.4976 79.5750 79.6829 79.7887 79.8590 79.9530 80.0696 80.2177 80.3513 80.4664 80.5571 80.6371 80.9137 80.9245 81.1289 81.2293 81.3629 81.5445 81.6708 81.8552 82.0117 82.1462 82.2256 82.3340 82.4653 82.4936 82.6253 82.7107 82.8958 83.0852 83.2116 83.3440 83.3751 83.4403 83.6334 83.7853 83.8742 83.9887 84.1878 84.2292 84.3534 84.4520 84.5506 84.6367 84.6839 84.8627 85.0697 85.1487 85.2360 85.2994 85.4353 85.5798 85.6301 85.6470 85.8123 85.9742 86.0609 86.0884 86.1676 86.2970 86.3583 86.4629 86.5802 86.6500 86.7236 86.8683 86.9334 87.0138 87.2344 87.3451 87.4970 87.5797 87.6212 87.7509 87.8095 87.8790 87.9144 88.0936 88.2856 88.3055 88.5225 88.5326 88.6563 88.7756 88.9373 89.1043 89.2124 89.2205 89.3294 89.4624 89.5171 89.6717 89.7354 89.8254 89.9464 90.1426 90.2695 90.2981 90.3926 90.5376 90.6274 90.7053 90.7955 90.8484 90.8802 91.1652 91.2383 91.2479 91.4345 91.4596 91.6929 91.8702 92.0096 92.1744 92.3160 92.5005 92.6734 92.7832 92.9523 92.9841 93.0481 93.1878 93.2548 93.3916 93.5079 93.5662 93.6322 93.6608 93.7876 93.9204 94.0044 94.1677 94.2066 94.3733 94.5617 94.6465 94.7726 94.8555 94.8684 95.0092 95.0890 95.2504 95.3994 95.4898 95.5862 95.6488 95.7173 95.8892 96.1851 96.2983 96.3914 96.5576 96.6237 96.7126 96.8440 96.9501 97.0269 97.2481 97.3157 97.5414 97.5645 97.6418 97.7780 97.9518 98.1410 98.2366 98.2881 98.4407 98.4884 98.5944 98.8649 98.9341 98.9994 99.0382 99.1761 99.3842 99.5128 99.7035 99.9298 99.9834 100.0066 100.0585 100.2922 100.4130 100.5545 100.5798 100.7031 100.8475 100.9830 101.2063 101.2220 101.4233 101.6795 101.7999 101.9330 102.1023 102.1343 102.3234 102.4243 102.6163 102.9205 103.0144 103.2226 103.3947 103.4366 103.5737 103.6604 103.8762 103.9079 104.1477 104.2254 104.3394 104.5339 104.5738 104.7668 104.9566 105.0716 105.3180 105.4677 105.5411 105.6340 105.7154 105.7695 105.9716 106.0170 106.1379 106.2587 106.3102 106.6326 106.7638 106.9666 107.0310 107.1209 107.1629 107.2352 107.3884 107.5376 107.6630 107.7179 107.9049 107.9810 108.2530 108.4561 108.5354 108.5690 108.6688 108.7620 108.8688 109.2788 109.3488 109.3875 109.5442 109.6202 109.6479 109.7599 109.9375 110.0316 110.2259 110.3871 110.6947 110.7627 110.9743 111.0569 111.2128 111.2900 111.4847 111.5460 111.7660 111.8566 112.0043 112.0904 112.1797 112.2946 112.4155 112.6282 112.7963 112.9333 113.1679 113.3721 113.4497 113.5278 113.7104 113.7519 113.8857 113.9992 114.1451 114.3439 114.4518 114.5604 114.5945 114.7275 114.8866 115.0397 115.1186 115.2530 115.4392 115.5342 115.6507 115.7584 115.9404 115.9935 116.1637 116.2900 116.3583 116.4494 116.5402 116.6447 116.8261 117.0627 117.2151 117.4332 117.6617 117.6871 117.7323 117.9435 118.0213 118.1626 118.2160 118.3875 118.4166 118.4326 118.6465 118.8514 118.9737 119.0049 119.0522 119.2238 119.3075 119.3564 119.5537 119.7015 119.7143 119.8427 119.9263 120.0160 120.0452 120.1621 120.3351 120.4148 120.4534 120.7062 120.7761 120.8476 121.1088 121.1730 121.2635 121.3339 121.4580 121.7957 121.9350 122.1789 122.3110 122.6922 122.7565 122.9465 123.3002 123.4442 123.7560 123.8070 124.1550 124.5607 124.9034 125.0276 125.1883 125.7031 125.7468 125.9959 126.3385 126.5102 126.6316 126.7441 126.8303 127.1511 127.1712 127.2505 127.3698 127.4566 127.5843 127.6393 127.7953 128.1120 128.1781 128.3991 128.6198 128.7090 128.9672 129.0380 129.4804 129.5459 129.8177 130.0835 130.3002 130.6023 130.8166 130.9598 131.1305 131.1845 131.2838 131.5266 131.7164 131.9164 132.0027 132.1412 132.3659 132.5848 132.8289 132.9229 132.9936 133.2392 133.5024 133.9778 134.1071 134.1865 134.2300 134.5299 134.7654 135.1781 135.3348 135.5570 135.8057 135.9111 136.1288 136.3783 136.5067 136.6627 136.7445 136.8130 137.2237 137.7570 137.9613 138.0485 138.2499 138.3292 138.4957 138.7693 138.7823 139.0588 139.3022 139.6223 139.9074 140.2372 140.2439 140.3747 140.8155 141.1186 141.2211 141.4417 141.6547 141.8110 142.2319 142.6676 142.8678 143.2531 143.4343 143.5057 143.5922 143.7996 143.9898 144.2513 144.4104 144.5514 144.6105 144.7754 144.8646 145.0484 145.4651 145.7149 146.3459 146.6681 146.7886 147.0814 147.3320 147.3680 147.5885 147.7521 148.2659 148.3009 148.4468 148.5840 148.6604 148.9270 149.0692 149.2167 149.4226 149.6758 149.8049 149.9950 150.1900 150.2692 150.4853 150.5451 150.7878 151.0310 151.2709 151.4072 151.5115 152.0321 152.1469 152.5449 152.8657 153.2763 153.3205 153.6829 153.9697 154.0505 154.4536 154.8317 155.2460 155.3036 155.5392 155.8653 156.0420 156.4132 156.5199 156.6867 156.7653 156.9559 157.0620 157.2666 157.6393 157.6703 157.8952 158.0353 158.3044 158.7126 158.9139 159.3840 159.4671 159.7130 160.3577 161.0900 161.6031 162.2031 162.8824 163.1395 164.0273 164.2432 165.2045 167.7491 168.4879 169.7239 170.4937 171.3154 171.6178 174.3663 175.1550 177.1301 179.5808 180.3284 182.7337 185.8551 186.0755 186.3854 187.8456 188.8593 189.5521 189.7012 190.1327 190.5714 191.3345 192.2527 192.5484 192.7810 195.2023 196.1605 199.7306 201.2769 203.3952 206.1506 207.0369 207.5043 212.3247 230.3386 235.9640 241.2512 248.1402 248.9291 338.4363 617.9731 620.0461 622.1946 629.4732 630.1117 631.5876 632.5328 632.6804 634.3853 634.6978 635.2628 635.5556 637.0278 637.1670 637.6891 639.5322 639.8313 640.5183 642.7904 643.3494 644.8339 646.6385 654.1428 655.6608 658.1878 1213.5553 1215.1952 1564.5601 -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 0.483699 -0.219398 -0.338125 -0.336906 -0.265807 -0.140246 -0.191110 -0.425212 -0.451539 -0.092563 -0.128784 -0.057100 0.011184 -0.281434 -0.289256 0.350826 -0.277909 -0.169094 0.205183 -0.165209 0.241867 0.064724 -0.275942 0.331859 -0.229258 -0.251921 -0.176732 -0.126786 -0.183703 0.082545 0.092558 0.083661 0.093763 0.101681 0.100878 0.102420 0.108112 0.107948 0.111991 0.082814 0.100843 0.136326 0.133935 0.140985 0.124484 0.137470 0.144037 0.151739 0.095251 0.094648 0.090816 0.087707 0.087476 0.160504 0.147109 0.161356 0.160802 0.160833 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 13.5163 9.2194 8.3381 8.3369 6.2658 6.1402 6.1911 6.4252 6.4515 6.0926 6.1288 6.0571 5.9888 6.2814 6.2893 5.6492 6.2779 6.1691 5.7948 6.1652 5.7581 5.9353 6.2759 5.6681 6.2293 6.2519 6.1767 6.1268 6.1837 0.9175 0.9074 0.9163 0.9062 0.8983 0.8991 0.8976 0.8919 0.8921 0.8880 0.9172 0.8992 0.8637 0.8661 0.8590 0.8755 0.8625 0.8560 0.8483 0.9047 0.9054 0.9092 0.9123 0.9125 0.8395 0.8529 0.8386 0.8392 0.8392 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 0.4837 -0.2194 -0.3381 -0.3369 -0.2658 -0.1402 -0.1911 -0.4252 -0.4515 -0.0926 -0.1288 -0.0571 0.0112 -0.2814 -0.2893 0.3508 -0.2779 -0.1691 0.2052 -0.1652 0.2419 0.0647 -0.2759 0.3319 -0.2293 -0.2519 -0.1767 -0.1268 -0.1837 0.0825 0.0926 0.0837 0.0938 0.1017 0.1009 0.1024 0.1081 0.1079 0.1120 0.0828 0.1008 0.1363 0.1339 0.1410 0.1245 0.1375 0.1440 0.1517 0.0953 0.0946 0.0908 0.0877 0.0875 0.1605 0.1471 0.1614 0.1608 0.1608 4.1429 1.0657 2.0685 2.0681 3.8520 3.8578 3.7830 3.8846 3.8956 3.8405 3.8818 3.7866 3.6321 3.9084 3.9729 3.8254 3.9554 3.8702 3.6767 3.9086 3.9721 3.7937 3.9732 3.6131 3.8340 3.9877 3.8875 3.8950 3.8931 1.0119 1.0149 1.0030 1.0082 1.0088 1.0096 1.0084 1.0101 1.0042 1.0063 1.0098 1.0041 0.9923 0.9772 1.0116 1.0340 1.0157 1.0019 0.9975 0.9861 0.9864 1.0057 1.0032 1.0033 1.0009 1.0088 0.9917 0.9878 0.9890 4.1429 1.0657 2.0685 2.0681 3.8520 3.8578 3.7830 3.8846 3.8956 3.8405 3.8818 3.7866 3.6321 3.9084 3.9729 3.8254 3.9554 3.8702 3.6767 3.9086 3.9721 3.7937 3.9732 3.6131 3.8340 3.9877 3.8875 3.8950 3.8931 1.0119 1.0149 1.0030 1.0082 1.0088 1.0096 1.0084 1.0101 1.0042 1.0063 1.0098 1.0041 0.9923 0.9772 1.0116 1.0340 1.0157 1.0019 0.9975 0.9861 0.9864 1.0057 1.0032 1.0033 1.0009 1.0088 0.9917 0.9878 0.9890 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.9694 1.0289 0.9584 0.9572 1.0180 1.1239 0.8796 0.9057 0.9748 0.9037 0.9851 0.9761 0.9233 1.0135 0.9974 1.3519 1.2895 0.9743 0.9750 0.9698 0.9749 0.9731 0.9713 0.9022 1.0192 1.0023 1.4351 0.9774 1.4657 0.9864 1.3464 1.3586 1.3066 0.9754 1.3674 0.9766 1.3876 0.9913 1.3985 0.9889 1.3531 1.4463 0.9823 0.9666 0.9735 0.9741 0.9903 0.9938 0.9938 1.2963 1.3557 1.3801 0.9825 1.4543 0.9876 1.4267 0.9835 1.3932 0.9821 0.9847 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 -0.030784593 -1510.085544488071 -18.02435 16.83307 -1.19128 28.45056 -27.25743 1.19312 7.04954 -6.75562 0.29392 1.71146 4.35018