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:-4.1335,1.6299,.4582;1.7345,-4.3045,-1.5685;1.7838,2.8163,.9239;1.7064,-1.6108,-1.7179;-4.4793,-.1867,.8678;-3.4988,-1.1733,.2211;-2.2956,2.02,.5673;-5.0627,2.7306,1.6675;-4.7,1.9319,-1.3109;-2.2928,-1.4534,1.12;-1.4779,2.0244,-.5606;-1.6746,2.2838,1.795;-1.2174,-2.2314,.4195;-.1104,2.2753,-.4918;-.3197,2.5381,1.8902;.4764,2.5407,.7418;-.2354,-1.5598,-.3044;-1.1895,-3.6232,.4435;.7528,-2.2578,-.9752;-.2041,-4.3348,-.2276;.7638,-3.6428,-.9244;2.6453,2.864,-.2088;3.9951,3.3515,.2548;2.8115,-1.1043,-1.0833;3.7907,-.5666,-1.9118;2.9751,-1.1019,.2957;4.9396,-.0303,-1.3536;4.1324,-.5551,.8384;5.1201,-.023,.0243;-4.504,-.3404,1.9517;-5.4996,-.3877,.5238;-3.147,-.7957,-.7458;-3.9952,-2.1229,.0013;-4.9346,3.7896,1.4357;-6.1339,2.5185,1.6534;-4.7181,2.5757,2.6923;-4.4752,2.9455,-1.648;-4.2272,1.2403,-2.0119;-5.7792,1.7893,-1.3995;-1.8774,-.5087,1.4776;-2.6317,-1.9993,2.0041;-1.9003,1.8247,-1.5388;-2.2578,2.2922,2.7094;.4715,2.2581,-1.4034;.133,2.7434,2.8528;-.2312,-.4758,-.3419;-1.9446,-4.1661,.9983;-.1834,-5.4167,-.2023;2.2409,3.5449,-.9647;2.722,1.8709,-.6641;3.938,4.3693,.6422;4.4148,2.7079,1.0279;4.6873,3.3544,-.587;3.6524,-.5736,-2.9857;2.224,-1.5141,.9562;5.6996,.383,-2.0037;4.2551,-.5527,1.9137;6.0176,.3981,.4566; 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 2946.3389321763 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 5.340e-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 0.433 sec Total time needed 0.827 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:-4.1335,1.6299,.4582;1.7345,-4.3045,-1.5685;1.7838,2.8163,.9239;1.7064,-1.6108,-1.7179;-4.4793,-.1867,.8678;-3.4988,-1.1733,.2211;-2.2956,2.02,.5673;-5.0627,2.7306,1.6675;-4.7,1.9319,-1.3109;-2.2928,-1.4534,1.12;-1.4779,2.0244,-.5606;-1.6746,2.2838,1.795;-1.2174,-2.2314,.4195;-.1104,2.2753,-.4918;-.3197,2.5381,1.8902;.4764,2.5407,.7418;-.2354,-1.5598,-.3044;-1.1895,-3.6232,.4435;.7528,-2.2578,-.9752;-.2041,-4.3348,-.2276;.7638,-3.6428,-.9244;2.6453,2.864,-.2088;3.9951,3.3515,.2548;2.8115,-1.1043,-1.0833;3.7907,-.5666,-1.9118;2.9751,-1.1019,.2957;4.9396,-.0303,-1.3536;4.1324,-.5551,.8384;5.1201,-.023,.0243;-4.504,-.3404,1.9517;-5.4996,-.3877,.5238;-3.147,-.7957,-.7458;-3.9952,-2.1229,.0013;-4.9346,3.7895,1.4357;-6.1339,2.5185,1.6534;-4.7181,2.5757,2.6923;-4.4752,2.9455,-1.648;-4.2272,1.2403,-2.0119;-5.7792,1.7893,-1.3995;-1.8774,-.5087,1.4776;-2.6317,-1.9993,2.0041;-1.9003,1.8247,-1.5388;-2.2578,2.2922,2.7094;.4715,2.2581,-1.4034;.133,2.7434,2.8528;-.2312,-.4758,-.3419;-1.9446,-4.1661,.9983;-.1834,-5.4167,-.2023;2.2409,3.5449,-.9647;2.722,1.8709,-.6641;3.938,4.3693,.6422;4.4148,2.7079,1.0279;4.6873,3.3544,-.587;3.6524,-.5736,-2.9857;2.224,-1.5141,.9562;5.6996,.383,-2.0037;4.2551,-.5527,1.9137;6.0176,.3981,.4566; 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:-4.1335,1.6299,.4582;1.7345,-4.3045,-1.5685;1.7838,2.8163,.9239;1.7064,-1.6108,-1.7179;-4.4793,-.1867,.8678;-3.4988,-1.1733,.2211;-2.2956,2.02,.5673;-5.0627,2.7306,1.6675;-4.7,1.9319,-1.3109;-2.2928,-1.4534,1.12;-1.4779,2.0244,-.5606;-1.6746,2.2838,1.795;-1.2174,-2.2314,.4195;-.1104,2.2753,-.4918;-.3197,2.5381,1.8902;.4764,2.5407,.7418;-.2354,-1.5598,-.3044;-1.1895,-3.6232,.4435;.7528,-2.2578,-.9752;-.2041,-4.3348,-.2276;.7638,-3.6428,-.9244;2.6453,2.864,-.2088;3.9951,3.3515,.2548;2.8115,-1.1043,-1.0833;3.7907,-.5666,-1.9118;2.9751,-1.1019,.2957;4.9396,-.0303,-1.3536;4.1324,-.5551,.8384;5.1201,-.023,.0243;-4.504,-.3404,1.9517;-5.4996,-.3877,.5238;-3.147,-.7957,-.7458;-3.9952,-2.1229,.0013;-4.9346,3.7896,1.4357;-6.1339,2.5185,1.6534;-4.7181,2.5757,2.6923;-4.4752,2.9455,-1.648;-4.2272,1.2403,-2.0119;-5.7792,1.7893,-1.3995;-1.8774,-.5087,1.4776;-2.6317,-1.9993,2.0041;-1.9003,1.8247,-1.5388;-2.2578,2.2922,2.7094;.4715,2.2581,-1.4034;.133,2.7434,2.8528;-.2312,-.4758,-.3419;-1.9446,-4.1661,.9983;-.1834,-5.4167,-.2023;2.2409,3.5449,-.9647;2.722,1.8709,-.6641;3.938,4.3693,.6422;4.4148,2.7079,1.0279;4.6873,3.3544,-.587;3.6524,-.5736,-2.9857;2.224,-1.5141,.9562;5.6996,.383,-2.0037;4.2551,-.5527,1.9137;6.0176,.3981,.4566; 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 3368 GEPOL Volume 2917.0042 GEPOL Surface-area 1621.0605 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.05327798 2946.33893218 -4456.39221015 -7922.94316962 3466.55095947 -0.02482811 -3013.97008918 1503.91681120 2.00408032 109.000228534412 109.000228534412 218.000457068825 -135.233356128613 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 -1800.5745 -674.9646 -524.6955 -524.1995 -282.0592 -281.6256 -281.5307 -281.4146 -280.8755 -279.9894 -279.9234 -279.8090 -279.8066 -279.7974 -279.7963 -279.7273 -279.7151 -279.7149 -279.6896 -279.5620 -279.5496 -279.5317 -279.3710 -279.3524 -279.1594 -279.1325 -278.7966 -278.6616 -278.6502 -145.6371 -100.7047 -100.6886 -100.6818 -36.8529 -32.9679 -32.3645 -27.0722 -26.6023 -26.4432 -24.9269 -24.2740 -24.1735 -23.6349 -23.5886 -23.4789 -23.0653 -22.7954 -22.0300 -21.3586 -21.3167 -20.6045 -20.4117 -19.9288 -19.6273 -19.3788 -19.1029 -18.6928 -18.5373 -18.0469 -17.5326 -17.4489 -16.9343 -16.3787 -16.1608 -16.0962 -15.9859 -15.6532 -15.6250 -15.3587 -14.9484 -14.7476 -14.7161 -14.5981 -14.5147 -14.2521 -14.1130 -14.0340 -13.9518 -13.8896 -13.7244 -13.6589 -13.5552 -13.4425 -13.3099 -13.2373 -12.9896 -12.8893 -12.8505 -12.5384 -12.4527 -12.4419 -12.3349 -12.1729 -12.0311 -11.8214 -11.7476 -11.5778 -11.4037 -11.3086 -11.2345 -10.4481 -10.3357 -9.9014 -9.4921 -9.4128 -9.3207 -8.8606 -8.6691 -8.3150 1.2944 1.6251 1.7166 1.8130 1.9143 2.0167 3.1524 3.3264 3.6965 3.7274 3.8592 3.9198 4.0325 4.1857 4.3930 4.5308 4.6265 4.6888 4.7663 4.8356 4.8810 5.0004 5.1007 5.2220 5.3325 5.4166 5.5423 5.6202 5.7338 5.8098 5.8356 5.8923 5.9797 6.0667 6.0945 6.1628 6.2956 6.4746 6.5318 6.5501 6.6922 6.7293 6.8434 6.9211 6.9357 7.1415 7.1695 7.3034 7.4298 7.4651 7.5294 7.6532 7.7356 7.8570 7.9457 8.0723 8.1014 8.1844 8.2624 8.3491 8.5043 8.5470 8.6285 8.7937 8.8504 8.9630 9.0239 9.1067 9.3214 9.4453 9.6135 9.6167 9.6489 9.8468 9.9821 10.0022 10.1109 10.2403 10.4144 10.4684 10.5471 10.6306 10.7233 10.8370 10.9464 11.0647 11.1911 11.3435 11.4471 11.4675 11.5700 11.5833 11.8065 11.8232 11.8628 11.9193 12.0133 12.1407 12.1927 12.2565 12.3791 12.4751 12.5730 12.7044 12.7977 12.8984 12.9382 13.0170 13.1436 13.1561 13.2170 13.2751 13.3902 13.4793 13.5713 13.5862 13.6919 13.7995 13.8966 13.9331 13.9773 14.0693 14.2138 14.3050 14.3581 14.4382 14.4608 14.6108 14.6479 14.7090 14.7550 14.9244 14.9645 15.0726 15.1383 15.1796 15.1896 15.2676 15.3190 15.4406 15.4784 15.6263 15.6978 15.7704 15.8387 15.9965 16.0455 16.1212 16.2151 16.2650 16.3821 16.4486 16.5103 16.5706 16.6811 16.7491 16.8293 16.9665 17.0660 17.1776 17.2926 17.4830 17.5767 17.6274 17.6629 17.9768 18.0463 18.1532 18.2054 18.4432 18.4723 18.6761 18.7265 18.9546 19.1375 19.2773 19.3290 19.4201 19.4949 19.5150 19.7366 19.8350 19.9845 20.0528 20.1917 20.2404 20.3223 20.4693 20.6416 20.6654 20.8676 20.8865 21.0787 21.1974 21.2862 21.3869 21.5367 21.7068 21.7961 21.9546 22.0606 22.1039 22.2171 22.3046 22.3341 22.4366 22.4686 22.6440 22.8222 22.8817 23.0980 23.1811 23.3156 23.4042 23.4669 23.7170 23.8309 23.9960 24.1057 24.1966 24.2801 24.3974 24.4929 24.6006 24.7889 24.8497 24.9815 25.1600 25.2266 25.3108 25.4018 25.4285 25.6478 25.7656 25.8809 25.9455 26.0113 26.0449 26.2316 26.2858 26.4613 26.5448 26.6875 26.8288 26.9751 27.0338 27.0414 27.2809 27.3518 27.4953 27.7339 27.8135 27.9733 28.0620 28.1622 28.3174 28.4058 28.4824 28.6153 28.6824 28.8360 28.9589 29.0433 29.0476 29.2854 29.3756 29.5855 29.6876 29.7388 29.9108 29.9986 30.1643 30.3202 30.4104 30.4570 30.6154 30.7647 30.9107 31.0112 31.0750 31.2495 31.3241 31.5737 31.6129 31.6648 31.7977 31.9249 31.9601 32.1869 32.2757 32.3479 32.4883 32.5868 32.6613 32.7500 32.7879 32.9891 33.2591 33.3505 33.5077 33.6537 33.6863 33.7430 33.7832 33.8565 34.0717 34.2223 34.3074 34.4951 34.5237 34.6125 34.7922 34.9534 35.0519 35.1146 35.2816 35.3938 35.4457 35.5506 35.6519 35.8084 35.9190 36.0496 36.1593 36.2346 36.4453 36.5300 36.6111 36.8320 36.9703 37.0342 37.2488 37.2966 37.3871 37.4680 37.6636 37.7201 37.8261 38.0276 38.1054 38.3474 38.3862 38.4142 38.5246 38.6009 38.7706 38.8215 38.8652 39.0171 39.0921 39.2354 39.2844 39.3003 39.5108 39.6794 39.7680 39.8547 39.9453 40.0534 40.1362 40.2408 40.3796 40.3905 40.5656 40.5924 40.7189 40.8255 40.9310 41.1163 41.3278 41.4217 41.5039 41.5930 41.7763 41.8761 41.9679 42.0955 42.1832 42.3190 42.4280 42.5425 42.6566 42.8600 42.9119 42.9528 43.0470 43.2833 43.2997 43.3794 43.4273 43.5875 43.7389 43.8161 43.9100 43.9436 44.0668 44.2047 44.2333 44.4895 44.5424 44.6854 44.9122 44.9631 45.0213 45.1491 45.2028 45.3299 45.4707 45.5241 45.6555 45.7765 45.8287 45.8754 46.1382 46.3358 46.3967 46.4526 46.5980 46.6946 46.8614 47.0327 47.1295 47.2813 47.5720 47.6243 47.6652 47.7201 47.9135 48.0833 48.2770 48.4331 48.5283 48.6059 48.8391 49.0344 49.0919 49.1412 49.3492 49.4012 49.6042 49.7724 49.8656 49.9516 50.1927 50.2522 50.4885 50.5642 50.7941 50.9285 51.1404 51.3881 51.6017 51.6445 51.8891 52.0869 52.1286 52.3482 52.4892 52.8365 52.9011 53.1339 53.1655 53.3568 53.6209 53.7962 53.9453 54.1273 54.3284 54.5612 54.6686 54.8991 55.1189 55.3257 55.6103 55.9623 56.2078 56.4602 56.5777 56.7444 56.9542 57.1712 57.3113 57.5440 57.5999 58.0295 58.2489 58.3628 58.4195 58.5700 58.6674 58.7920 58.9388 59.1903 59.4046 59.4402 59.7582 59.7797 60.0143 60.1987 60.5980 60.9179 61.1781 61.2679 61.4263 61.5267 61.7230 62.0929 62.1494 62.4830 62.6903 62.8591 63.1108 63.4651 63.6203 63.9368 64.0977 64.3205 64.5469 64.7222 64.8193 64.9781 65.1153 65.3492 65.4665 65.5994 65.9213 66.0202 66.3128 66.6357 66.8555 67.0863 67.1879 67.5305 67.6766 67.7111 67.7550 68.2695 68.3457 68.5106 68.8436 69.1375 69.2017 69.5790 69.6928 70.1359 70.2421 70.5825 70.7539 70.9491 71.5529 71.8751 71.9282 72.1213 72.4673 72.6449 72.8977 72.9371 73.1489 73.4463 73.6043 73.8260 73.9488 74.1245 74.3332 74.4728 74.6371 74.8398 74.9381 75.1870 75.2403 75.4792 75.6060 75.7305 75.9436 76.1261 76.2289 76.3238 76.3739 76.5896 76.9680 77.0472 77.2340 77.3160 77.4842 77.5081 77.8320 78.0787 78.1127 78.2244 78.2750 78.4225 78.5190 78.7916 78.8529 78.9318 78.9836 79.2029 79.2261 79.5329 79.5648 79.6713 79.7514 79.8234 79.9893 80.0289 80.1813 80.2105 80.3370 80.3736 80.6240 80.7503 80.8705 80.9477 81.0499 81.2254 81.2536 81.3348 81.4313 81.6480 81.7931 81.8752 81.9796 82.2790 82.3244 82.3988 82.5454 82.6824 82.7549 82.9490 83.0370 83.1881 83.3084 83.3678 83.5783 83.6029 83.8148 83.9810 84.0727 84.1589 84.2462 84.2919 84.4529 84.5147 84.6614 84.8563 84.8863 84.9505 85.1244 85.2059 85.3850 85.4003 85.5327 85.7617 85.8089 85.8805 86.0857 86.0976 86.1697 86.2909 86.3462 86.4074 86.5576 86.6416 86.7175 86.9249 87.0107 87.0640 87.1632 87.2896 87.4144 87.5761 87.5956 87.7752 87.8112 87.9035 88.0201 88.0509 88.2431 88.3083 88.4605 88.5449 88.6939 88.7051 88.9594 89.0731 89.2193 89.3225 89.3754 89.4919 89.5967 89.6585 89.7419 89.8942 90.0346 90.1141 90.1294 90.2682 90.3705 90.4344 90.4844 90.7491 90.7615 90.8536 90.9796 91.1345 91.2507 91.3307 91.4635 91.7310 91.8623 92.0216 92.1095 92.2410 92.4018 92.5315 92.5883 92.7724 92.8202 92.9830 93.0166 93.2122 93.2689 93.3940 93.4193 93.5908 93.6148 93.6367 93.8026 93.9281 93.9946 94.1385 94.2256 94.3119 94.4334 94.5972 94.6677 94.7652 94.8232 94.9045 95.0159 95.1079 95.2804 95.4057 95.5202 95.6275 95.7842 95.8194 95.9303 96.0823 96.1681 96.3507 96.4848 96.5758 96.7733 96.8037 96.8413 96.9790 97.0790 97.1895 97.2941 97.5191 97.7374 97.8031 98.1692 98.2420 98.3017 98.3658 98.4636 98.4986 98.6632 98.8977 98.9413 99.0449 99.1854 99.2366 99.4071 99.5005 99.5215 99.5960 99.6858 99.8490 99.9829 100.1848 100.1981 100.5954 100.6856 100.7967 100.9259 101.1818 101.1972 101.2952 101.4027 101.6156 101.7080 101.8243 102.1310 102.1853 102.2512 102.4348 102.7102 102.8514 102.8688 103.1372 103.1535 103.3982 103.4969 103.7566 103.8972 103.9374 104.1188 104.3181 104.3896 104.5710 104.6742 104.7180 104.9400 105.0624 105.1433 105.3609 105.4790 105.5716 105.6392 105.7412 105.7989 105.8920 106.1794 106.2570 106.4342 106.5115 106.6320 106.8010 106.9822 107.1138 107.3733 107.4411 107.4939 107.6264 107.8061 107.8526 107.9901 108.1244 108.1836 108.3602 108.4267 108.6380 108.8566 108.9576 109.0357 109.2560 109.3651 109.4528 109.6039 109.7367 109.8265 109.9142 110.0697 110.0835 110.2974 110.3726 110.6071 110.6372 110.8471 110.9571 111.1180 111.2434 111.4140 111.5353 111.8721 111.9476 112.0406 112.2519 112.2977 112.3995 112.4799 112.7284 112.9457 113.0758 113.1694 113.2974 113.4605 113.6647 113.7093 113.8103 113.9634 114.1726 114.3640 114.3916 114.4870 114.5802 114.7383 114.7519 114.9052 115.0249 115.0974 115.2189 115.3756 115.5824 115.7236 115.7600 115.8732 115.9370 116.1316 116.1759 116.2367 116.4130 116.5475 116.6446 116.6534 116.8315 117.1309 117.4241 117.4979 117.6688 117.7598 117.8409 117.9322 118.0426 118.1508 118.3685 118.4390 118.6130 118.6812 118.8485 118.9017 118.9396 119.0209 119.1730 119.3004 119.3555 119.4170 119.4777 119.6417 119.7593 119.8102 119.8435 119.9643 120.2232 120.2419 120.4611 120.5373 120.7107 120.7903 120.8472 120.9891 121.0946 121.3992 121.4587 121.6132 121.9955 122.1235 122.2969 122.4453 122.5874 122.6523 122.8399 122.9188 123.2416 123.5430 123.8486 123.9395 124.2249 124.2878 124.3499 124.8617 125.1726 125.5122 125.6310 125.9995 126.0672 126.2755 126.6402 126.6815 127.0245 127.0968 127.3224 127.4938 127.6337 127.7356 127.9474 128.0918 128.2289 128.3187 128.4495 128.6875 128.7735 129.0204 129.5444 129.7336 129.8286 129.9193 130.1907 130.2950 130.4745 130.7602 130.9308 131.0228 131.1195 131.3343 131.5461 131.7358 131.7814 131.9050 131.9583 132.0437 132.2164 132.2959 132.8157 132.9665 133.1153 133.1779 133.5171 133.7041 133.8860 134.2857 134.4816 134.8842 135.1018 135.1912 135.4099 135.5951 135.6466 135.6947 136.1539 136.3466 136.5061 136.8056 136.9822 137.0795 137.5293 137.8405 138.2214 138.3663 138.3938 138.5857 138.7309 138.8256 138.9463 139.2830 139.5182 139.5755 139.7096 140.1454 140.2552 140.5227 140.7407 141.2317 141.2834 141.3827 141.6271 141.9201 142.0459 142.1834 142.9116 143.1200 143.4036 143.4652 143.7292 143.7667 143.8760 144.0337 144.1962 144.4956 144.7467 144.9355 144.9736 145.1729 145.2002 145.4252 146.0895 146.4422 147.0370 147.2093 147.4346 147.6453 147.7237 147.8015 148.2431 148.5065 148.5669 148.6415 148.7963 148.9421 149.0456 149.3531 149.4947 149.8074 149.9167 150.0342 150.1749 150.2487 150.4223 150.4732 150.6165 150.8615 151.0323 151.1473 151.5972 151.9591 152.3787 152.4845 152.6178 153.0965 153.2508 153.8383 154.0747 154.5125 154.9897 155.2122 155.3433 155.7472 155.9179 156.3035 156.4433 156.6441 156.9031 157.0038 157.0196 157.1719 157.3548 157.5742 157.6732 158.0994 158.1832 158.2501 158.4934 158.8722 159.2089 159.4010 159.9039 160.4457 160.7882 161.6341 161.9269 162.0897 163.1241 163.9083 164.4772 164.5588 165.6550 165.9734 168.7448 169.5626 170.4181 171.7606 172.3403 174.1868 175.8624 178.3574 179.6923 181.2082 181.7007 185.3855 186.7704 187.4960 188.3018 188.6111 189.0792 189.4368 190.1210 190.3260 191.0751 192.7424 192.7624 192.9130 195.5014 196.7003 199.5823 201.0264 203.4214 206.0511 206.9262 208.1108 212.3713 229.8771 235.8830 241.1412 247.9908 248.9271 338.1240 619.0781 622.7621 625.6567 629.8947 630.4572 632.0062 632.8368 632.9932 634.5036 634.9819 635.0732 635.8288 636.8249 637.0570 637.0882 637.8278 639.9909 640.7080 643.2728 643.5571 645.1900 647.4038 654.1327 656.0463 658.3832 1214.5932 1215.7662 1563.4741 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 0.496011 -0.219173 -0.339872 -0.340803 -0.282242 -0.133327 -0.174321 -0.458176 -0.433779 -0.070465 -0.154982 -0.107522 -0.041929 -0.217073 -0.280224 0.334376 -0.109653 -0.150938 0.097283 -0.205105 0.261751 0.068873 -0.300410 0.301009 -0.220771 -0.179437 -0.135758 -0.178738 -0.196923 0.083718 0.094364 0.077523 0.094592 0.104610 0.103508 0.101545 0.109595 0.101896 0.107992 0.089400 0.095784 0.144723 0.136820 0.140240 0.136720 0.101349 0.145779 0.150957 0.116963 0.063764 0.103361 0.088944 0.098741 0.143726 0.154378 0.158386 0.160112 0.162830 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 13.5040 9.2192 8.3399 8.3408 6.2822 6.1333 6.1743 6.4582 6.4338 6.0705 6.1550 6.1075 6.0419 6.2171 6.2802 5.6656 6.1097 6.1509 5.9027 6.2051 5.7382 5.9311 6.3004 5.6990 6.2208 6.1794 6.1358 6.1787 6.1969 0.9163 0.9056 0.9225 0.9054 0.8954 0.8965 0.8985 0.8904 0.8981 0.8920 0.9106 0.9042 0.8553 0.8632 0.8598 0.8633 0.8987 0.8542 0.8490 0.8830 0.9362 0.8966 0.9111 0.9013 0.8563 0.8456 0.8416 0.8399 0.8372 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 0.4960 -0.2192 -0.3399 -0.3408 -0.2822 -0.1333 -0.1743 -0.4582 -0.4338 -0.0705 -0.1550 -0.1075 -0.0419 -0.2171 -0.2802 0.3344 -0.1097 -0.1509 0.0973 -0.2051 0.2618 0.0689 -0.3004 0.3010 -0.2208 -0.1794 -0.1358 -0.1787 -0.1969 0.0837 0.0944 0.0775 0.0946 0.1046 0.1035 0.1015 0.1096 0.1019 0.1080 0.0894 0.0958 0.1447 0.1368 0.1402 0.1367 0.1013 0.1458 0.1510 0.1170 0.0638 0.1034 0.0889 0.0987 0.1437 0.1544 0.1584 0.1601 0.1628 4.1206 1.0688 2.0457 2.0671 3.8315 3.8685 3.7152 3.9100 3.8970 3.7485 3.8270 3.8489 3.6887 3.8203 4.0436 3.7179 3.8243 3.8702 3.7900 3.9064 4.0128 3.7491 3.9701 3.6360 3.9329 3.8091 3.8643 3.8836 3.8408 1.0108 1.0092 1.0043 1.0079 1.0094 1.0101 1.0118 1.0067 1.0093 1.0103 1.0138 1.0118 0.9895 0.9927 1.0125 1.0129 1.0405 1.0003 0.9979 0.9962 0.9936 1.0070 1.0004 1.0038 1.0097 1.0018 0.9903 0.9914 0.9885 4.1206 1.0688 2.0457 2.0671 3.8315 3.8685 3.7152 3.9100 3.8970 3.7485 3.8270 3.8489 3.6887 3.8203 4.0436 3.7179 3.8243 3.8702 3.7900 3.9064 4.0128 3.7491 3.9701 3.6360 3.9329 3.8091 3.8643 3.8836 3.8408 1.0108 1.0092 1.0043 1.0079 1.0094 1.0101 1.0118 1.0067 1.0093 1.0103 1.0138 1.0118 0.9895 0.9927 1.0125 1.0129 1.0405 1.0003 0.9979 0.9962 0.9936 1.0070 1.0004 1.0038 1.0097 1.0018 0.9903 0.9914 0.9885 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.9494 1.0036 0.9620 0.9661 1.0576 1.0859 0.8451 0.9133 0.9725 0.9020 0.9834 0.9781 0.9067 1.0217 0.9951 1.3273 1.2876 0.9732 0.9767 0.9764 0.9744 0.9744 0.9735 0.8715 1.0101 0.9909 1.3801 0.9880 1.5025 0.9962 1.3482 1.3617 1.2855 0.9945 1.3373 0.9949 1.3920 0.9709 1.4079 0.9855 1.3961 1.4186 0.9845 0.9452 0.9869 0.9813 0.9905 0.9942 0.9967 1.3381 1.3112 1.4447 0.9960 1.3868 0.9804 1.3588 0.9924 1.4045 0.9901 0.9956 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 -0.033729533 -1510.087007507568 -18.08632 17.56795 -0.51837 23.43280 -23.06357 0.36923 7.87379 -7.47335 0.40044 0.75192 1.91124