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:-3.201,1.1114,1.0392;2.1205,-1.5159,-2.631;2.1862,2.5337,-1.3041;1.9503,-2.3658,-.1012;-3.1233,-.7833,1.03;-3.6657,-1.4632,-.2341;-1.5836,1.7155,.282;-3.3308,1.7373,2.8076;-4.6664,1.7238,.0283;-2.9544,-2.7796,-.5779;-.6753,2.4963,.9935;-1.1811,1.2836,-.9898;-1.5814,-2.5246,-1.1334;.5862,2.8123,.4978;.0669,1.5818,-1.5028;.9718,2.3332,-.7497;-.446,-2.6041,-.3346;-1.4332,-2.1281,-2.463;.8022,-2.2607,-.8377;-.1916,-1.799,-2.981;.9134,-1.8528,-2.1556;3.2125,3.1294,-.5176;4.4937,3.0808,-1.3123;2.091,-1.6651,1.0686;1.2811,-.5971,1.4313;3.1388,-2.0688,1.8885;1.5248,.0559,2.6336;3.3736,-1.3993,3.0787;2.5642,-.3373,3.4628;-2.0693,-1.0409,1.183;-3.6444,-1.1805,1.9064;-3.5967,-.8092,-1.1086;-4.7326,-1.657,-.1035;-2.5149,1.3687,3.4324;-3.3236,2.8275,2.863;-4.2641,1.3968,3.2616;-5.608,1.3147,.4006;-4.7433,2.8123,.0697;-4.583,1.4448,-1.024;-2.8938,-3.4103,.3123;-3.5464,-3.3255,-1.3161;-.9332,2.8669,1.9791;-1.8472,.6823,-1.5988;1.2535,3.41,1.1043;.3582,1.2207,-2.4819;-.5294,-2.9318,.6953;-2.3038,-2.0692,-3.1046;-.0814,-1.4881,-4.0119;3.327,2.5847,.4254;2.952,4.1642,-.2736;5.2962,3.5345,-.7312;4.7851,2.0549,-1.5389;4.4073,3.6331,-2.2483;.4687,-.2624,.799;3.7679,-2.898,1.5902;.8868,.883,2.9166;4.1923,-1.7163,3.7113;2.744,.1788,4.3963; 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 3045.8585412550 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 5.088e-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 0.403 sec Total time needed 0.796 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:-3.201,1.1114,1.0392;2.1205,-1.5159,-2.631;2.1862,2.5337,-1.3041;1.9503,-2.3658,-.1012;-3.1233,-.7833,1.03;-3.6657,-1.4632,-.2341;-1.5836,1.7155,.282;-3.3308,1.7373,2.8076;-4.6664,1.7238,.0283;-2.9544,-2.7796,-.5779;-.6753,2.4963,.9935;-1.1811,1.2836,-.9898;-1.5814,-2.5246,-1.1334;.5862,2.8123,.4978;.0669,1.5818,-1.5028;.9718,2.3332,-.7497;-.446,-2.6041,-.3346;-1.4332,-2.1281,-2.463;.8022,-2.2607,-.8377;-.1916,-1.799,-2.981;.9134,-1.8528,-2.1556;3.2125,3.1294,-.5176;4.4937,3.0808,-1.3123;2.091,-1.6651,1.0686;1.2811,-.5971,1.4313;3.1388,-2.0688,1.8885;1.5248,.0559,2.6336;3.3736,-1.3993,3.0787;2.5642,-.3373,3.4628;-2.0693,-1.0409,1.183;-3.6444,-1.1805,1.9064;-3.5967,-.8092,-1.1086;-4.7326,-1.657,-.1035;-2.5149,1.3687,3.4324;-3.3236,2.8275,2.863;-4.2641,1.3968,3.2615;-5.608,1.3147,.4006;-4.7433,2.8123,.0697;-4.583,1.4448,-1.024;-2.8938,-3.4103,.3123;-3.5464,-3.3255,-1.3161;-.9332,2.8669,1.9791;-1.8472,.6823,-1.5988;1.2535,3.41,1.1043;.3582,1.2207,-2.4819;-.5294,-2.9318,.6953;-2.3038,-2.0692,-3.1046;-.0814,-1.4881,-4.0119;3.327,2.5847,.4254;2.952,4.1642,-.2736;5.2962,3.5345,-.7312;4.7851,2.0549,-1.5389;4.4073,3.6331,-2.2483;.4687,-.2624,.799;3.7679,-2.898,1.5902;.8868,.883,2.9166;4.1923,-1.7163,3.7113;2.744,.1788,4.3963; 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:-3.201,1.1114,1.0392;2.1205,-1.5159,-2.631;2.1862,2.5337,-1.3041;1.9503,-2.3658,-.1012;-3.1233,-.7833,1.03;-3.6657,-1.4632,-.2341;-1.5836,1.7155,.282;-3.3308,1.7373,2.8076;-4.6664,1.7238,.0283;-2.9544,-2.7796,-.5779;-.6753,2.4963,.9935;-1.1811,1.2836,-.9898;-1.5814,-2.5246,-1.1334;.5862,2.8123,.4978;.0669,1.5818,-1.5028;.9718,2.3332,-.7497;-.446,-2.6041,-.3346;-1.4332,-2.1281,-2.463;.8022,-2.2607,-.8377;-.1916,-1.799,-2.981;.9134,-1.8528,-2.1556;3.2125,3.1294,-.5176;4.4937,3.0808,-1.3123;2.091,-1.6651,1.0686;1.2811,-.5971,1.4313;3.1388,-2.0688,1.8885;1.5248,.0559,2.6336;3.3736,-1.3993,3.0787;2.5642,-.3373,3.4628;-2.0693,-1.0409,1.183;-3.6444,-1.1805,1.9064;-3.5967,-.8092,-1.1086;-4.7326,-1.657,-.1035;-2.5149,1.3687,3.4324;-3.3236,2.8275,2.863;-4.2641,1.3968,3.2616;-5.608,1.3147,.4006;-4.7433,2.8123,.0697;-4.583,1.4448,-1.024;-2.8938,-3.4103,.3123;-3.5464,-3.3255,-1.3161;-.9332,2.8669,1.9791;-1.8472,.6823,-1.5988;1.2535,3.41,1.1043;.3582,1.2207,-2.4819;-.5294,-2.9318,.6953;-2.3038,-2.0692,-3.1046;-.0814,-1.4881,-4.0119;3.327,2.5847,.4254;2.952,4.1642,-.2736;5.2962,3.5345,-.7312;4.7851,2.0549,-1.5389;4.4073,3.6331,-2.2483;.4687,-.2624,.799;3.7679,-2.898,1.5902;.8868,.883,2.9166;4.1923,-1.7163,3.7113;2.744,.1788,4.3963; 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 3379 GEPOL Volume 2918.9718 GEPOL Surface-area 1617.8587 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.05117493 3045.85854125 -4555.90971619 -8122.46615634 3566.55644015 -0.02764684 -3013.95726854 1503.90609361 2.00408608 108.999694229436 108.999694229436 217.999388458872 -135.234407680264 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 -1800.5928 -674.9306 -524.7175 -524.1754 -282.0096 -281.6091 -281.5758 -281.3690 -280.8912 -279.9839 -279.8922 -279.8389 -279.7878 -279.7823 -279.7437 -279.7016 -279.6887 -279.6851 -279.6817 -279.5640 -279.5187 -279.5061 -279.3957 -279.3598 -279.1736 -279.1249 -278.7596 -278.6688 -278.6597 -145.6510 -100.7176 -100.7020 -100.6979 -36.8130 -32.9858 -32.3387 -27.0629 -26.6030 -26.4137 -24.9400 -24.2560 -24.1698 -23.6349 -23.5285 -23.4424 -23.0439 -22.7915 -22.0246 -21.3663 -21.3326 -20.6478 -20.3989 -19.9171 -19.5901 -19.3494 -19.2501 -18.6861 -18.4039 -17.9932 -17.5211 -17.4381 -16.8724 -16.3478 -16.1348 -16.0741 -15.9506 -15.6337 -15.6286 -15.4203 -14.8761 -14.7569 -14.7447 -14.6538 -14.4770 -14.3049 -14.1058 -14.0202 -14.0067 -13.7926 -13.6870 -13.6449 -13.4555 -13.3677 -13.3231 -13.1527 -12.9816 -12.8710 -12.8194 -12.6649 -12.5198 -12.4128 -12.3688 -12.1877 -12.1661 -11.9802 -11.6834 -11.4918 -11.3956 -11.2365 -11.1405 -10.4522 -10.2609 -9.9178 -9.5573 -9.4589 -9.2569 -8.8894 -8.4895 -8.2872 1.3320 1.5127 1.7689 1.8017 1.9586 2.1382 3.0827 3.2724 3.5323 3.7499 3.8724 4.0064 4.0918 4.2322 4.3603 4.4897 4.6570 4.6762 4.7365 4.8889 4.9767 5.1063 5.1826 5.2675 5.3447 5.3780 5.5251 5.5873 5.6979 5.7476 5.7814 5.8802 6.0408 6.1225 6.2263 6.2607 6.3805 6.4766 6.5713 6.5834 6.7385 6.7825 6.8172 6.8909 7.0396 7.1217 7.3044 7.3812 7.4675 7.5230 7.5809 7.6513 7.8210 7.9152 8.0138 8.0917 8.1676 8.2472 8.3433 8.3716 8.4883 8.6348 8.7902 8.8686 8.9883 9.0649 9.1742 9.2458 9.3794 9.4518 9.5877 9.7160 9.8488 9.8820 9.9461 10.0657 10.2112 10.2733 10.3142 10.3692 10.5331 10.5970 10.7596 10.8243 10.9343 11.0470 11.1990 11.2464 11.3380 11.3634 11.4623 11.6333 11.6840 11.8435 11.8911 11.9248 11.9572 12.0814 12.2121 12.3165 12.4109 12.5359 12.6393 12.7250 12.8211 12.9032 12.9939 13.1503 13.1986 13.3272 13.3995 13.4246 13.5105 13.5996 13.6627 13.7690 13.7879 13.8571 13.9390 14.0079 14.1503 14.1911 14.2149 14.2918 14.2998 14.3433 14.4732 14.5783 14.6356 14.7406 14.8401 14.8728 14.9127 15.1821 15.1931 15.2214 15.3054 15.4670 15.5355 15.5754 15.6276 15.6992 15.7663 15.8225 15.8625 15.9355 16.0868 16.1790 16.2210 16.3206 16.3528 16.4231 16.5756 16.7277 16.7499 16.7835 16.9577 17.1134 17.1709 17.4142 17.5343 17.6372 17.7059 17.7716 17.8357 17.9728 18.1280 18.1981 18.4544 18.6310 18.6819 18.7273 18.9520 18.9803 19.2774 19.3460 19.4301 19.5635 19.7626 19.8837 19.9609 20.0707 20.1618 20.2061 20.3210 20.4450 20.5641 20.6803 20.7902 20.8220 21.0120 21.0290 21.0822 21.0987 21.4115 21.4783 21.6548 21.7687 21.8063 21.9307 22.1116 22.1453 22.2886 22.3431 22.5289 22.6093 22.7337 22.8850 23.0358 23.1039 23.1713 23.2009 23.3269 23.4505 23.5568 23.6590 23.8398 23.9744 24.2237 24.3338 24.4617 24.5496 24.6374 24.7481 24.8582 24.8761 24.9670 25.1417 25.2763 25.4259 25.6348 25.6608 25.7810 25.9667 25.9906 26.1461 26.2100 26.4692 26.5525 26.6455 26.6644 26.7093 26.9198 27.0475 27.1354 27.2673 27.3672 27.4565 27.6246 27.6698 27.7161 27.8439 28.0318 28.1345 28.1780 28.3221 28.5207 28.5748 28.6242 28.8055 28.8547 28.9129 28.9972 29.1479 29.3594 29.5057 29.6488 29.7386 29.7917 29.8454 29.9429 30.0349 30.1527 30.2785 30.3166 30.5271 30.6666 30.8376 30.9582 31.0891 31.1237 31.2597 31.4208 31.5711 31.7002 31.7926 31.8734 31.9581 32.0536 32.2317 32.3064 32.3845 32.5123 32.5507 32.7159 32.7905 32.9427 33.1626 33.2630 33.3279 33.4121 33.5837 33.6405 33.7839 33.9313 34.0854 34.1581 34.3475 34.5641 34.6264 34.6600 34.8944 34.9759 34.9943 35.1118 35.2361 35.2474 35.3694 35.5776 35.8215 35.8571 36.0579 36.0822 36.2317 36.3096 36.3852 36.5602 36.6532 36.8686 37.0312 37.1595 37.2737 37.3733 37.4744 37.5133 37.7019 37.8307 37.9140 38.1387 38.1936 38.3409 38.4912 38.5579 38.6062 38.7532 38.7842 39.0145 39.0955 39.1990 39.3013 39.3243 39.4876 39.6801 39.8001 39.8688 39.9688 40.1270 40.2484 40.2822 40.4075 40.5451 40.7136 40.8252 40.8935 40.9600 41.0450 41.1807 41.3632 41.4687 41.5312 41.6357 41.7184 41.8057 41.8427 42.0692 42.1267 42.3192 42.3350 42.4714 42.5246 42.6027 42.7244 42.8287 42.9279 43.0134 43.1347 43.2433 43.2744 43.3990 43.5178 43.6950 43.7298 43.7796 43.8290 44.0291 44.1411 44.2872 44.4620 44.6191 44.6594 44.7720 44.8479 44.9411 45.0608 45.1301 45.1885 45.4708 45.6280 45.7324 45.8487 45.9169 46.0674 46.3232 46.4036 46.4526 46.6084 46.7460 46.8415 46.9516 47.1120 47.1924 47.2786 47.4058 47.6872 47.7569 47.9177 48.0405 48.1472 48.3539 48.4573 48.5056 48.7778 48.8116 48.9655 49.1788 49.2506 49.5415 49.6251 49.6905 49.8487 49.8722 50.3016 50.3341 50.4103 50.5161 50.9170 50.9812 51.1174 51.2838 51.3855 51.5507 51.7223 51.7896 52.1817 52.3223 52.4125 52.5062 52.8364 52.8692 53.1442 53.2000 53.3138 53.4699 53.7130 53.9141 54.3256 54.5963 54.6735 54.7712 54.9666 55.3721 55.7026 55.8103 55.9151 55.9615 56.3831 56.6070 56.7475 57.1727 57.2538 57.3392 57.6365 57.7295 57.8680 57.9176 58.3526 58.6055 58.6286 58.8495 59.1170 59.1622 59.3261 59.4634 59.6586 59.8581 60.1134 60.2133 60.2409 60.4022 60.6121 60.8292 61.1632 61.3318 61.6417 61.7928 61.9413 62.0883 62.1435 62.6595 62.8354 63.2157 63.4195 63.6349 63.7372 63.8105 64.2920 64.5147 64.5869 64.6946 64.7731 64.9134 65.3022 65.5568 65.8346 65.8973 66.1744 66.2376 66.4872 66.7705 67.1271 67.4423 67.6109 67.7342 67.8666 68.1074 68.1972 68.3795 68.5267 68.6506 68.9853 69.1408 69.3264 69.4974 70.0992 70.1869 70.3578 70.6239 71.0191 71.3113 71.4855 71.5594 71.8186 72.0172 72.2009 72.3097 72.6913 72.7570 72.8927 72.9411 73.2308 73.4698 73.5544 73.8242 74.1229 74.1788 74.4917 74.5930 74.9248 75.0678 75.2391 75.3958 75.6972 75.7616 75.9143 76.2742 76.3225 76.4030 76.7451 76.9670 77.0806 77.1629 77.2037 77.4594 77.5608 77.7827 77.9157 78.1483 78.2319 78.3883 78.4773 78.5452 78.6738 78.8382 78.9929 79.0801 79.2351 79.2960 79.3777 79.4079 79.5153 79.6368 79.6638 79.6964 79.8327 79.9301 80.1369 80.1873 80.3590 80.4471 80.5531 80.6830 80.9072 81.0054 81.2212 81.2613 81.3429 81.4563 81.5012 81.6531 81.8248 81.9339 82.0699 82.2197 82.2960 82.4666 82.6953 82.8334 82.9407 83.1664 83.2347 83.2631 83.5308 83.5596 83.5988 83.7158 83.8103 83.9806 83.9883 84.2423 84.4864 84.5267 84.6318 84.7397 84.7643 84.8923 84.9187 85.0477 85.2472 85.3257 85.3349 85.5007 85.6291 85.6876 85.7220 85.8923 86.0360 86.0557 86.2050 86.3499 86.4832 86.5499 86.5774 86.6744 86.8036 86.9714 87.0102 87.1188 87.2496 87.3100 87.3955 87.5851 87.5934 87.7986 87.9317 88.1452 88.1583 88.2843 88.3823 88.4661 88.6081 88.7319 88.8204 88.8632 89.0045 89.1178 89.2803 89.3709 89.4537 89.5858 89.6489 89.6869 89.8071 89.8913 90.0250 90.1139 90.2186 90.3166 90.3940 90.5071 90.6264 90.6953 90.8970 90.9494 91.1113 91.2688 91.3797 91.5164 91.5989 91.7135 91.8293 91.9166 92.0564 92.3415 92.4451 92.5216 92.6996 92.8162 92.9144 93.0264 93.1412 93.2221 93.3731 93.5348 93.6291 93.6815 93.8137 93.8550 93.9184 94.0333 94.0768 94.2803 94.4120 94.5504 94.5601 94.7526 94.7611 94.8440 94.9532 95.0814 95.2532 95.3374 95.5168 95.6146 95.6253 95.7802 95.9243 96.0019 96.1338 96.4439 96.4803 96.6560 96.7661 96.8819 96.9750 97.1038 97.2368 97.3166 97.4108 97.5253 97.6054 97.6949 97.8860 98.0168 98.1994 98.2995 98.3995 98.5067 98.5817 98.6060 98.8721 98.9116 99.0612 99.0807 99.2259 99.3654 99.4931 99.6482 99.7191 99.9170 100.1467 100.2091 100.4164 100.5182 100.6307 100.7268 100.9079 100.9782 101.0393 101.1426 101.2637 101.4047 101.5946 101.7011 101.8812 102.0681 102.1533 102.2569 102.3481 102.6361 102.8934 103.0151 103.1157 103.1820 103.3485 103.4500 103.5812 103.6471 103.9748 104.0468 104.1391 104.2952 104.4360 104.5854 104.8351 104.9075 105.0185 105.1710 105.2498 105.3094 105.4187 105.5445 105.6162 105.8547 105.8978 106.0129 106.2140 106.3066 106.5272 106.6843 106.8755 106.8837 107.0919 107.2244 107.3252 107.3575 107.3951 107.6747 107.8026 107.9031 108.0911 108.1547 108.2611 108.2922 108.3758 108.5339 108.7518 108.8010 109.1446 109.2583 109.4125 109.4614 109.6532 109.7194 109.8029 109.9197 110.0305 110.1692 110.3856 110.4667 110.4914 110.7847 111.0295 111.1325 111.1737 111.4790 111.5456 111.7743 111.8602 111.9543 112.0399 112.2626 112.3841 112.5344 112.5787 112.8720 113.0532 113.1059 113.2366 113.4590 113.5724 113.5908 113.7734 113.8641 113.9484 114.0788 114.1918 114.4187 114.5649 114.5985 114.7755 114.8180 115.0475 115.0621 115.2948 115.3914 115.4776 115.6488 115.7125 115.8004 115.8527 116.0850 116.2229 116.3278 116.4279 116.5839 116.8315 116.8899 116.9689 117.0326 117.1793 117.3413 117.4168 117.5384 117.7200 117.8211 118.0690 118.1154 118.3521 118.3648 118.4977 118.6568 118.7175 118.8965 118.9125 119.0480 119.0736 119.2421 119.3450 119.5262 119.5635 119.6783 119.7956 119.8996 119.9869 120.0739 120.1583 120.3119 120.4440 120.5721 120.6401 120.9648 121.0386 121.1640 121.2563 121.3419 121.6101 121.7804 121.9990 122.1682 122.3084 122.6512 122.7816 122.9941 123.1185 123.1715 123.3925 123.4843 123.6371 123.8724 123.9773 124.5129 124.6426 124.8987 125.1682 125.3753 125.5189 125.8547 126.0043 126.2772 126.3213 126.4360 126.7292 127.0386 127.1579 127.2361 127.2751 127.5152 127.8038 127.8900 127.9858 128.0323 128.2261 128.4251 128.5215 128.8774 129.0898 129.3543 129.5845 129.7504 129.9248 130.0851 130.2876 130.4734 130.5873 130.7686 130.9898 131.1206 131.3721 131.7167 131.8540 131.9267 132.0205 132.1799 132.4243 132.6147 132.9101 132.9832 133.2115 133.4652 133.5197 133.8734 133.9539 134.0844 134.2589 134.3737 134.5240 134.6340 134.9733 135.3148 135.5849 135.6563 135.8127 135.9433 136.2281 136.5902 136.8463 136.9705 137.2010 137.4193 137.6923 137.7980 138.3583 138.5538 138.6178 138.8199 138.9927 139.0119 139.1800 139.5333 139.6587 139.8843 140.2430 140.2712 140.4362 140.6965 141.1500 141.3967 141.6354 141.7609 142.1941 142.4170 142.7688 142.9182 143.1031 143.2538 143.5002 143.8284 143.8429 143.9984 144.2192 144.4438 144.5985 144.8889 144.9474 145.0634 145.4243 145.4833 146.2374 146.4355 146.8882 147.0500 147.2269 147.3400 147.6199 147.7386 147.8601 148.2633 148.3329 148.4899 148.5685 148.7996 148.9241 149.1937 149.4523 149.5517 149.6915 150.0209 150.1060 150.2798 150.3559 150.3971 150.7325 150.8729 151.1162 151.3870 151.4738 151.6936 152.1126 152.3398 152.6828 153.0068 153.0612 153.4020 153.5060 153.8136 154.0313 154.3488 154.6862 154.8988 155.2589 155.7921 156.1717 156.2038 156.2966 156.4561 156.7215 157.0197 157.2931 157.3382 157.4580 157.6700 157.7765 157.9815 158.2687 158.3208 158.7291 158.9157 159.3395 159.5305 159.8126 160.7465 161.5799 161.8210 162.3501 162.8025 163.7249 164.3947 164.5197 164.6421 168.4175 168.5955 169.5803 169.9191 171.9079 172.8481 174.2679 174.8292 177.3084 179.4906 180.7068 182.3203 186.2378 186.6884 186.7838 187.8261 188.7653 189.1327 189.4470 190.1674 190.3266 191.0927 192.0965 192.7673 193.0633 195.2993 196.3464 200.0560 201.5115 203.3840 206.2282 206.8221 207.7155 212.4415 229.9293 235.9841 241.2573 248.0866 248.9564 338.4544 619.7601 620.2298 625.3861 629.8935 630.7835 631.9952 633.1435 633.1543 634.4710 635.0878 635.2768 635.7652 636.8998 637.2672 638.0927 638.5819 639.7006 639.7878 643.3234 643.7362 645.8152 646.6258 654.3940 655.9001 658.3788 1213.9895 1215.4531 1565.0115 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 0.475036 -0.222265 -0.342836 -0.341220 -0.266286 -0.144415 -0.102756 -0.461646 -0.411509 -0.084065 -0.169732 -0.149016 0.097586 -0.273489 -0.276483 0.356462 -0.251326 -0.265543 0.265044 -0.153942 0.162447 0.071230 -0.274196 0.303606 -0.131093 -0.237116 -0.201500 -0.136800 -0.183774 0.074784 0.098201 0.072822 0.093588 0.104370 0.101990 0.108481 0.106646 0.107184 0.103163 0.086918 0.096665 0.146714 0.153957 0.137768 0.136710 0.153224 0.143304 0.151031 0.089192 0.094571 0.090668 0.086540 0.087367 0.092483 0.145924 0.165409 0.159720 0.160202 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 13.5250 9.2223 8.3428 8.3412 6.2663 6.1444 6.1028 6.4616 6.4115 6.0841 6.1697 6.1490 5.9024 6.2735 6.2765 5.6435 6.2513 6.2655 5.7350 6.1539 5.8376 5.9288 6.2742 5.6964 6.1311 6.2371 6.2015 6.1368 6.1838 0.9252 0.9018 0.9272 0.9064 0.8956 0.8980 0.8915 0.8934 0.8928 0.8968 0.9131 0.9033 0.8533 0.8460 0.8622 0.8633 0.8468 0.8567 0.8490 0.9108 0.9054 0.9093 0.9135 0.9126 0.9075 0.8541 0.8346 0.8403 0.8398 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 0.4750 -0.2223 -0.3428 -0.3412 -0.2663 -0.1444 -0.1028 -0.4616 -0.4115 -0.0841 -0.1697 -0.1490 0.0976 -0.2735 -0.2765 0.3565 -0.2513 -0.2655 0.2650 -0.1539 0.1624 0.0712 -0.2742 0.3036 -0.1311 -0.2371 -0.2015 -0.1368 -0.1838 0.0748 0.0982 0.0728 0.0936 0.1044 0.1020 0.1085 0.1066 0.1072 0.1032 0.0869 0.0967 0.1467 0.1540 0.1378 0.1367 0.1532 0.1433 0.1510 0.0892 0.0946 0.0907 0.0865 0.0874 0.0925 0.1459 0.1654 0.1597 0.1602 4.1105 1.0580 2.0535 2.0791 3.8157 3.8988 3.6938 3.9322 3.8854 3.8356 3.8437 3.8450 3.5212 3.8393 3.9821 3.7082 3.9522 3.8754 3.6045 3.8115 4.0464 3.7941 3.9747 3.7286 3.7627 3.9574 3.8931 3.9084 3.9253 1.0103 1.0100 1.0009 1.0096 1.0099 1.0105 1.0121 1.0057 1.0094 1.0097 1.0091 1.0053 0.9881 0.9707 1.0117 1.0128 1.0012 1.0022 0.9969 0.9871 0.9869 1.0057 1.0038 1.0032 1.0326 1.0093 0.9937 0.9876 0.9898 4.1105 1.0580 2.0535 2.0791 3.8157 3.8988 3.6938 3.9322 3.8854 3.8356 3.8437 3.8450 3.5212 3.8393 3.9821 3.7082 3.9522 3.8754 3.6045 3.8115 4.0464 3.7941 3.9747 3.7286 3.7627 3.9574 3.8931 3.9084 3.9253 1.0103 1.0100 1.0009 1.0096 1.0099 1.0105 1.0121 1.0057 1.0094 1.0097 1.0091 1.0053 0.9881 0.9707 1.0117 1.0128 1.0012 1.0022 0.9969 0.9871 0.9869 1.0057 1.0038 1.0032 1.0326 1.0093 0.9937 0.9876 0.9898 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.9319 1.0015 0.9747 0.9620 1.0474 1.0906 0.8760 0.9100 0.9802 0.9114 0.9830 0.9799 0.9186 1.0235 0.9927 1.3402 1.2792 0.9775 0.9773 0.9733 0.9723 0.9729 0.9759 0.8952 1.0147 1.0078 1.3989 0.9915 1.4705 0.9789 1.3444 1.3079 1.2927 0.9987 1.3268 0.9987 1.3602 0.9791 1.3904 1.0120 1.3875 1.3923 0.9984 0.9673 0.9728 0.9760 0.9900 0.9933 0.9943 1.3501 1.3619 1.3525 0.9755 1.4484 0.9873 1.4486 0.9725 1.4012 0.9831 0.9868 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 -0.036154287 -1510.087329221958 -17.58248 16.55340 -1.02909 14.66964 -14.25458 0.41506 12.55306 -11.50862 1.04445 1.52387 3.87336