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:-2.2123,1.443,-.2408;1.5639,-5.2018,-.9575;2.2922,4.2767,2.6468;1.0734,-2.8579,-2.1817;-2.4571,-.2835,.4819;-3.4182,-1.152,-.3359;-.8373,2.3128,.7076;-3.8108,2.4361,-.142;-1.6908,1.2954,-2.0474;-3.359,-2.6372,.0078;-.3862,1.8647,1.948;-.1889,3.4314,.1688;-2.0348,-3.3098,-.2606;.6568,2.4833,2.6311;.849,4.0642,.8272;1.2806,3.5942,2.07;-1.094,-2.7639,-1.1274;-1.732,-4.5211,.3599;.1257,-3.3864,-1.3469;-.5333,-5.1743,.1184;.3903,-4.5956,-.7276;2.7808,3.8514,3.9147;3.8792,4.7981,4.3314;1.4068,-1.5314,-2.0268;1.7047,-.818,-3.1793;1.4892,-.9286,-.7762;2.0886,.5124,-3.0776;1.8691,.4039,-.6916;2.1648,1.1314,-1.8372;-1.4685,-.7508,.5383;-2.811,-.2206,1.5156;-3.2419,-1.0282,-1.4085;-4.4425,-.808,-.1745;-3.6831,3.4431,-.5447;-4.6107,1.9567,-.7108;-4.1554,2.5369,.8892;-.8374,.6241,-2.1666;-2.5031,.9079,-2.6657;-1.4062,2.264,-2.4645;-3.6111,-2.778,1.0624;-4.1369,-3.1635,-.5542;-.8429,.9974,2.4113;-.4922,3.8241,-.7958;.9652,2.0856,3.5889;1.3332,4.9281,.3874;-1.2899,-1.8292,-1.6389;-2.4445,-4.9663,1.0435;-.3065,-6.1169,.6002;3.1613,2.8272,3.848;1.9726,3.8573,4.6529;3.5099,5.8184,4.4388;4.2782,4.4856,5.2959;4.7015,4.7989,3.6155;1.6372,-1.3013,-4.1463;1.2657,-1.485,.1259;2.3187,1.067,-3.9783;1.9352,.8745,.2815;2.4553,2.171,-1.7615; 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 2915.8312196582 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 6.204e-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 0.458 sec Total time needed 0.851 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:-2.2123,1.443,-.2408;1.5639,-5.2018,-.9575;2.2922,4.2767,2.6468;1.0734,-2.8579,-2.1817;-2.4571,-.2835,.4819;-3.4182,-1.152,-.3359;-.8373,2.3128,.7076;-3.8108,2.4361,-.142;-1.6908,1.2954,-2.0474;-3.359,-2.6372,.0078;-.3862,1.8647,1.948;-.1889,3.4314,.1688;-2.0348,-3.3098,-.2606;.6568,2.4833,2.6311;.849,4.0642,.8272;1.2806,3.5942,2.07;-1.094,-2.7639,-1.1274;-1.732,-4.5211,.3599;.1257,-3.3864,-1.3468;-.5333,-5.1743,.1184;.3903,-4.5956,-.7276;2.7808,3.8514,3.9147;3.8792,4.7981,4.3314;1.4068,-1.5314,-2.0268;1.7047,-.818,-3.1793;1.4892,-.9286,-.7762;2.0886,.5124,-3.0776;1.8691,.4039,-.6916;2.1648,1.1314,-1.8372;-1.4685,-.7508,.5383;-2.811,-.2206,1.5156;-3.2419,-1.0282,-1.4085;-4.4425,-.808,-.1745;-3.6831,3.4431,-.5447;-4.6107,1.9567,-.7108;-4.1554,2.5369,.8892;-.8374,.6241,-2.1666;-2.5031,.9079,-2.6657;-1.4062,2.264,-2.4645;-3.6111,-2.778,1.0624;-4.1369,-3.1635,-.5542;-.8429,.9974,2.4113;-.4922,3.8241,-.7958;.9652,2.0856,3.5889;1.3332,4.9281,.3874;-1.2899,-1.8292,-1.6389;-2.4445,-4.9663,1.0435;-.3065,-6.1169,.6002;3.1613,2.8272,3.848;1.9726,3.8573,4.6529;3.5099,5.8184,4.4388;4.2782,4.4856,5.2959;4.7015,4.7989,3.6155;1.6372,-1.3013,-4.1463;1.2657,-1.485,.1259;2.3187,1.067,-3.9783;1.9352,.8745,.2815;2.4553,2.171,-1.7615; 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:-2.2123,1.443,-.2408;1.5639,-5.2018,-.9575;2.2922,4.2767,2.6468;1.0734,-2.8579,-2.1817;-2.4571,-.2835,.4819;-3.4182,-1.152,-.3359;-.8373,2.3128,.7076;-3.8108,2.4361,-.142;-1.6908,1.2954,-2.0474;-3.359,-2.6372,.0078;-.3862,1.8647,1.948;-.1889,3.4314,.1688;-2.0348,-3.3098,-.2606;.6568,2.4833,2.6311;.849,4.0642,.8272;1.2806,3.5942,2.07;-1.094,-2.7639,-1.1274;-1.732,-4.5211,.3599;.1257,-3.3864,-1.3469;-.5333,-5.1743,.1184;.3903,-4.5956,-.7276;2.7808,3.8514,3.9147;3.8792,4.7981,4.3314;1.4068,-1.5314,-2.0268;1.7047,-.818,-3.1793;1.4892,-.9286,-.7762;2.0886,.5124,-3.0776;1.8691,.4039,-.6916;2.1648,1.1314,-1.8372;-1.4685,-.7508,.5383;-2.811,-.2206,1.5156;-3.2419,-1.0282,-1.4085;-4.4425,-.808,-.1745;-3.6831,3.4431,-.5447;-4.6107,1.9567,-.7108;-4.1554,2.5369,.8892;-.8374,.6241,-2.1666;-2.5031,.9079,-2.6657;-1.4062,2.264,-2.4645;-3.6111,-2.778,1.0624;-4.1369,-3.1635,-.5542;-.8429,.9974,2.4113;-.4922,3.8241,-.7958;.9652,2.0856,3.5889;1.3332,4.9281,.3874;-1.2899,-1.8292,-1.6389;-2.4445,-4.9663,1.0435;-.3065,-6.1169,.6002;3.1613,2.8272,3.848;1.9726,3.8573,4.6529;3.5099,5.8184,4.4388;4.2782,4.4856,5.2959;4.7015,4.7989,3.6155;1.6372,-1.3013,-4.1463;1.2657,-1.485,.1259;2.3187,1.067,-3.9783;1.9352,.8745,.2815;2.4553,2.171,-1.7615; 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 3399 GEPOL Volume 2904.6382 GEPOL Surface-area 1627.7502 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -1510.05320396 2915.83121966 -4425.88442362 -7861.89050637 3436.00608275 -0.02731439 -3013.93347911 1503.88027515 2.00410467 108.999897717875 108.999897717875 217.999795435750 -135.230345035044 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 -1800.5725 -674.9119 -524.6948 -524.1958 -281.9834 -281.5791 -281.5746 -281.4111 -280.8991 -280.0221 -279.8956 -279.8100 -279.8083 -279.7778 -279.7674 -279.7244 -279.7132 -279.7111 -279.7063 -279.6080 -279.5504 -279.5269 -279.4253 -279.3388 -279.1808 -279.1322 -278.7767 -278.6496 -278.6286 -145.6328 -100.6975 -100.6850 -100.6799 -36.7945 -32.9532 -32.3541 -27.0425 -26.6086 -26.4296 -24.9477 -24.2679 -24.1466 -23.6494 -23.4799 -23.4716 -23.0989 -22.8026 -22.0204 -21.4045 -21.2964 -20.6125 -20.4251 -19.9222 -19.6540 -19.3583 -19.1105 -18.7024 -18.4727 -18.0260 -17.5141 -17.4972 -16.7845 -16.3477 -16.1147 -16.0742 -15.9536 -15.6311 -15.6226 -15.3531 -14.8571 -14.8345 -14.8066 -14.6153 -14.4748 -14.2859 -14.2192 -14.0721 -13.9968 -13.7922 -13.7317 -13.5756 -13.5331 -13.4174 -13.3434 -13.2209 -12.9727 -12.8907 -12.7782 -12.5438 -12.4925 -12.4218 -12.3137 -12.1813 -12.1200 -12.0460 -11.7622 -11.3973 -11.3568 -11.3053 -11.1996 -10.4170 -10.3402 -9.8883 -9.5982 -9.4051 -9.3320 -8.9116 -8.4718 -8.3216 1.3630 1.5326 1.6455 1.8006 1.9569 2.1975 3.1182 3.3874 3.6449 3.7544 3.9191 3.9545 4.1461 4.2214 4.4289 4.5037 4.5489 4.5796 4.8008 4.9638 5.1082 5.1449 5.1863 5.2860 5.3172 5.4072 5.5263 5.5676 5.6722 5.7280 5.7840 5.9152 5.9436 6.1055 6.1969 6.2220 6.3430 6.3949 6.5016 6.5677 6.6747 6.8469 6.8905 6.9475 6.9853 7.1059 7.1928 7.2430 7.3900 7.4322 7.5672 7.7282 7.7656 7.8321 7.8695 8.1062 8.1940 8.2731 8.2877 8.3382 8.5748 8.6657 8.6922 8.7794 8.8768 8.9620 9.1180 9.1443 9.3828 9.4106 9.4597 9.5540 9.5859 9.7264 9.8882 9.9987 10.1186 10.2890 10.3221 10.4859 10.4995 10.6607 10.8638 10.9194 11.0082 11.0572 11.1560 11.2406 11.3309 11.4451 11.4932 11.5920 11.6519 11.7399 11.8278 11.9723 12.0802 12.1452 12.1970 12.2324 12.4083 12.4620 12.5057 12.6343 12.8225 12.8937 12.9404 13.0522 13.1195 13.1877 13.2957 13.3629 13.5128 13.5481 13.5969 13.6202 13.6462 13.7561 13.8368 13.9495 13.9939 14.1198 14.1840 14.2359 14.2911 14.3411 14.4858 14.5282 14.6051 14.6439 14.6900 14.7371 14.8662 14.9832 15.0145 15.2095 15.2586 15.3147 15.3717 15.5039 15.5206 15.6460 15.7615 15.8177 15.8416 15.9084 15.9232 15.9953 16.1138 16.2103 16.2854 16.4585 16.5084 16.6020 16.6474 16.7115 16.8728 16.9517 17.0339 17.2262 17.3344 17.3656 17.5641 17.6922 17.7987 17.9865 18.0559 18.2831 18.3335 18.4040 18.4470 18.5647 18.7423 18.7767 19.1430 19.2498 19.3210 19.4045 19.4758 19.6005 19.7963 19.8810 19.9634 20.1451 20.2255 20.3380 20.3800 20.5695 20.6325 20.7495 20.8129 20.8315 21.0185 21.0618 21.2362 21.3287 21.4497 21.5082 21.6348 21.8138 21.8820 22.1029 22.1542 22.2253 22.3444 22.4559 22.6490 22.7042 22.7712 22.9292 23.0326 23.0896 23.2221 23.3564 23.4986 23.5911 23.6798 23.7996 23.8901 24.0453 24.1236 24.2716 24.3901 24.5522 24.6451 24.7461 24.8036 24.8611 24.9961 25.0576 25.2430 25.3023 25.4801 25.6562 25.7910 25.9499 26.0497 26.1834 26.3306 26.3739 26.4230 26.5619 26.7129 26.8076 26.9438 27.0852 27.1093 27.2096 27.2624 27.4082 27.5335 27.7518 27.8063 27.9479 28.0302 28.1223 28.2942 28.3767 28.4753 28.7391 28.8990 29.0208 29.0904 29.2930 29.4158 29.4822 29.6141 29.6679 29.7131 29.7729 29.9883 30.0875 30.1050 30.1975 30.3316 30.3705 30.4988 30.7338 30.8199 30.9426 31.0231 31.2787 31.3217 31.5439 31.5636 31.6671 31.7013 31.9393 31.9743 32.0381 32.2732 32.2926 32.6430 32.6638 32.7656 32.9190 33.0000 33.1885 33.2676 33.3844 33.3962 33.4914 33.5759 33.6586 33.7766 33.8718 34.0970 34.2715 34.3095 34.6584 34.7230 34.8203 34.8801 34.9783 34.9974 35.1625 35.2830 35.4207 35.5443 35.6113 35.6891 35.8893 36.0336 36.1631 36.2933 36.3327 36.5101 36.5996 36.8661 36.9270 37.0139 37.0689 37.1715 37.2982 37.4980 37.6023 37.6518 37.8034 37.8670 37.9319 38.1735 38.2930 38.3809 38.4763 38.5528 38.7734 38.8486 38.9399 39.1547 39.1589 39.2575 39.3002 39.4992 39.5822 39.6594 39.7509 39.8570 40.0055 40.0678 40.0926 40.1510 40.3598 40.4829 40.5771 40.7595 40.8334 40.8530 40.9259 41.1288 41.2429 41.3634 41.4068 41.5810 41.6766 41.8180 41.8560 41.9996 42.1545 42.3380 42.3462 42.4550 42.5527 42.6691 42.7153 42.8007 42.8875 43.0493 43.1175 43.1424 43.2955 43.4600 43.6811 43.8169 43.9356 43.9682 44.1023 44.2301 44.3185 44.4304 44.5143 44.5709 44.6576 44.7275 44.8017 44.9875 45.1369 45.2662 45.3185 45.5265 45.5740 45.6564 45.8281 45.9199 45.9896 46.2530 46.2954 46.5185 46.5590 46.7033 46.7524 46.9956 47.0896 47.2568 47.3139 47.4961 47.6422 47.9147 48.1186 48.2037 48.2891 48.3828 48.4892 48.6661 48.6975 48.8011 48.8917 49.1099 49.3392 49.3673 49.6817 49.7835 49.8389 49.9620 49.9786 50.2054 50.4993 50.5868 50.8094 51.0945 51.2409 51.3256 51.4984 51.6778 51.9382 52.0393 52.1391 52.2691 52.7085 52.8437 52.8895 53.0790 53.1123 53.3933 53.4857 53.7258 53.9602 54.0136 54.2652 54.6644 54.8538 55.0506 55.3659 55.5773 55.7824 56.0472 56.1851 56.2430 56.4153 56.8154 56.9655 57.1214 57.2485 57.4483 57.7095 57.8667 58.0145 58.1419 58.3006 58.3916 58.6558 58.8955 58.9882 59.0641 59.4137 59.4431 59.5710 59.9806 60.2370 60.3391 60.4702 60.7281 60.8064 60.9314 61.0385 61.3998 61.5940 61.7095 62.1297 62.5603 62.6433 62.7500 63.0428 63.0966 63.3711 63.6542 63.7458 64.0671 64.2967 64.4746 64.7623 64.8511 65.0529 65.3401 65.3614 65.7715 65.8813 66.2514 66.2806 66.5415 66.7966 67.1362 67.4881 67.5038 67.7196 67.9682 68.1617 68.3594 68.4939 68.5735 68.7700 68.9943 69.2409 69.3150 69.7249 69.9230 70.3153 70.4938 70.9135 70.9958 71.3489 71.8231 71.8794 71.9738 72.1991 72.4681 72.7323 72.9851 73.1379 73.2678 73.3148 73.4548 73.6619 74.2288 74.4022 74.4690 74.6948 75.0985 75.1299 75.2366 75.4951 75.6952 75.9623 75.9938 76.1162 76.3667 76.4068 76.6339 76.7243 76.9534 77.1512 77.1778 77.3275 77.4370 77.5612 77.7567 77.8146 77.9892 78.1203 78.1981 78.2496 78.5494 78.5829 78.7154 78.9408 79.0161 79.1625 79.2079 79.3574 79.3996 79.4250 79.6245 79.6990 79.7313 79.8207 79.9607 80.0604 80.1507 80.1996 80.2673 80.5355 80.6849 80.7938 80.9438 81.1402 81.1941 81.3585 81.4245 81.5832 81.6942 81.9753 82.0448 82.1674 82.2606 82.3634 82.3893 82.4521 82.6752 82.7508 82.9535 83.1510 83.2773 83.2975 83.3398 83.3673 83.6538 83.6899 83.8196 84.0378 84.0861 84.2491 84.4180 84.4861 84.5624 84.6533 84.7628 84.8512 85.0006 85.0583 85.2542 85.3244 85.3892 85.6016 85.6672 85.7486 85.8560 85.9309 86.1096 86.1724 86.2142 86.2930 86.4182 86.5629 86.6479 86.7425 86.8138 86.8674 87.0062 87.1057 87.2214 87.3228 87.4904 87.6479 87.6934 87.7417 87.8904 87.9467 88.0470 88.1908 88.3070 88.4310 88.4893 88.6083 88.8404 88.9169 89.0261 89.0664 89.2323 89.3546 89.4224 89.4651 89.5756 89.7062 89.7916 89.9276 89.9398 90.0147 90.2655 90.3555 90.4219 90.5667 90.6730 90.7102 90.8154 90.9483 91.0157 91.2495 91.2986 91.4198 91.5260 91.5594 91.7757 91.7895 92.0888 92.1931 92.2170 92.4557 92.5524 92.7353 92.8066 92.8983 93.1084 93.1798 93.1895 93.3879 93.4538 93.6057 93.6288 93.7821 93.8344 94.0048 94.1940 94.3042 94.3544 94.4621 94.5655 94.7292 94.8949 94.9689 95.1533 95.1866 95.3627 95.4029 95.5114 95.6061 95.6670 95.8596 95.9494 96.0950 96.3322 96.4298 96.6066 96.7315 96.7939 96.8272 96.9951 97.0414 97.1203 97.2226 97.4474 97.4869 97.7466 97.8012 97.9684 98.0578 98.1434 98.2246 98.2592 98.4262 98.4351 98.5639 98.6994 98.8846 99.0099 99.1616 99.2350 99.4388 99.5635 99.6068 99.6792 99.7450 99.9918 100.1886 100.2649 100.3945 100.4885 100.5634 100.5916 100.7647 100.9656 100.9830 101.1398 101.3050 101.4935 101.5539 101.7225 101.9243 102.0354 102.0824 102.2889 102.5977 102.8187 103.0216 103.2096 103.3944 103.4432 103.5760 103.7092 103.8585 103.9768 104.1483 104.3170 104.3783 104.4644 104.6323 104.7884 104.9029 105.1376 105.2475 105.2880 105.4493 105.5479 105.6056 105.8303 106.0062 106.1294 106.2657 106.2947 106.4075 106.5022 106.7055 106.8336 106.9303 107.0119 107.0880 107.1691 107.2485 107.3807 107.5991 107.7746 107.8069 108.0980 108.1628 108.2986 108.4386 108.5609 108.5703 108.8189 108.9530 109.2407 109.3919 109.4639 109.7033 109.7862 109.8328 109.9733 110.1502 110.1920 110.3585 110.4592 110.6277 110.7848 111.0667 111.1178 111.2752 111.4142 111.4464 111.5486 111.5978 111.8029 111.9014 112.1352 112.3489 112.4711 112.6109 112.6212 112.6997 112.8994 113.0717 113.2194 113.3252 113.4674 113.5972 113.7864 113.9208 113.9863 114.1414 114.3045 114.4185 114.5876 114.6283 114.8892 115.0407 115.0923 115.2263 115.3287 115.4646 115.5924 115.6612 115.7836 115.9661 116.0051 116.0791 116.2181 116.3181 116.3826 116.5145 116.6200 116.7638 116.9659 117.2246 117.3476 117.5338 117.6796 117.7933 117.9120 118.0098 118.1909 118.3052 118.4710 118.5144 118.6709 118.7865 118.7999 118.9751 119.0355 119.0734 119.1453 119.4411 119.4901 119.5706 119.6293 119.7032 119.7956 119.9093 120.0924 120.1391 120.3396 120.3892 120.4382 120.6391 120.7084 120.9180 120.9543 121.0958 121.3052 121.3488 121.5363 121.6988 121.7553 121.9430 122.1719 122.2914 122.3991 122.4502 122.5451 122.8354 122.9523 123.2752 123.4833 123.8738 124.0737 124.2811 124.8877 125.1591 125.4143 125.7543 125.9633 126.0751 126.1089 126.2705 126.8570 127.0394 127.0537 127.1491 127.2346 127.3618 127.4732 127.6330 127.6881 128.1035 128.2843 128.4263 128.6423 128.8195 128.9670 129.1069 129.4082 129.5781 129.7424 130.1770 130.2065 130.2511 130.4012 130.5686 130.7582 130.8889 131.2743 131.3796 131.5419 131.5567 131.7577 131.8476 131.9517 132.1117 132.2395 132.4680 132.6376 132.7229 132.9399 133.0546 133.3278 133.7573 134.0173 134.1492 134.3304 134.5435 134.6117 134.9227 135.1758 135.6319 135.7075 135.9998 136.3832 136.6909 136.7739 136.8138 137.0350 137.3426 137.3892 137.8668 138.1814 138.2469 138.4282 138.5817 138.7341 138.8682 138.9212 139.3939 139.5522 139.6986 139.9363 140.0867 140.3728 140.4226 140.7961 140.8802 141.3145 141.4597 141.6859 141.7840 142.3520 142.8583 143.2382 143.2919 143.4275 143.5621 143.8031 144.1212 144.1690 144.3186 144.4262 144.5647 144.7679 144.9160 145.0451 145.6395 145.9102 146.3141 146.5120 146.7341 147.0762 147.1846 147.4872 147.6511 147.8851 148.1739 148.2364 148.2868 148.4331 148.4825 148.7789 148.9706 149.0583 149.2023 149.4019 149.4483 149.7612 149.8972 149.9567 150.1975 150.5182 150.7092 150.7774 151.2434 151.4754 151.6323 152.1252 152.3738 152.4443 152.8049 152.9929 153.2383 153.3387 153.5657 153.9137 154.1093 154.5394 154.7534 155.3497 155.4255 155.6714 156.0699 156.1907 156.3569 156.6008 156.6718 156.8770 157.0151 157.2647 157.5076 157.7416 157.8984 158.0195 158.2029 158.6735 159.0351 159.4114 159.7572 160.0453 160.2015 160.8699 161.6137 161.8021 162.0045 162.2569 162.7079 163.9591 164.2178 164.4570 168.5112 168.5884 169.3961 170.2449 171.6813 172.7930 173.9398 174.1896 176.2470 179.4946 180.1257 182.1642 186.0119 186.3996 186.5902 187.8341 188.8249 189.4119 189.4686 190.0960 190.2330 191.2888 192.6255 192.7627 193.0139 195.8089 196.1140 200.0525 201.6796 203.2739 205.5174 206.4727 207.4389 212.5322 229.8637 235.8634 241.0935 247.9488 248.9231 338.7391 617.3458 621.2592 624.6506 629.8509 630.3351 631.7034 632.4397 632.4800 634.1941 634.5400 635.0227 635.5767 637.1734 637.5038 637.7491 639.5966 640.3414 641.6068 643.3199 644.6848 644.8491 646.5972 654.0803 655.5440 658.0994 1213.5475 1214.7693 1563.1357 -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 0.460039 -0.220694 -0.339216 -0.348049 -0.272382 -0.108825 -0.082809 -0.437087 -0.408168 -0.104115 -0.185951 -0.160963 0.019249 -0.239246 -0.280460 0.350645 -0.196549 -0.217003 0.189865 -0.173950 0.185552 0.066501 -0.275578 0.267941 -0.214319 -0.183757 -0.130473 -0.136942 -0.209375 0.082297 0.099814 0.078815 0.093289 0.101126 0.101968 0.102425 0.050800 0.117160 0.117790 0.086919 0.095857 0.142416 0.134370 0.138303 0.135431 0.165599 0.142981 0.150361 0.095684 0.094648 0.087582 0.090720 0.087211 0.147040 0.156685 0.160239 0.171893 0.156697 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 13.5400 9.2207 8.3392 8.3480 6.2724 6.1088 6.0828 6.4371 6.4082 6.1041 6.1860 6.1610 5.9808 6.2392 6.2805 5.6494 6.1965 6.2170 5.8101 6.1739 5.8144 5.9335 6.2756 5.7321 6.2143 6.1838 6.1305 6.1369 6.2094 0.9177 0.9002 0.9212 0.9067 0.8989 0.8980 0.8976 0.9492 0.8828 0.8822 0.9131 0.9041 0.8576 0.8656 0.8617 0.8646 0.8344 0.8570 0.8496 0.9043 0.9054 0.9124 0.9093 0.9128 0.8530 0.8433 0.8398 0.8281 0.8433 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 0.4600 -0.2207 -0.3392 -0.3480 -0.2724 -0.1088 -0.0828 -0.4371 -0.4082 -0.1041 -0.1860 -0.1610 0.0192 -0.2392 -0.2805 0.3506 -0.1965 -0.2170 0.1899 -0.1739 0.1856 0.0665 -0.2756 0.2679 -0.2143 -0.1838 -0.1305 -0.1369 -0.2094 0.0823 0.0998 0.0788 0.0933 0.1011 0.1020 0.1024 0.0508 0.1172 0.1178 0.0869 0.0959 0.1424 0.1344 0.1383 0.1354 0.1656 0.1430 0.1504 0.0957 0.0946 0.0876 0.0907 0.0872 0.1470 0.1567 0.1602 0.1719 0.1567 4.1161 1.0646 2.0652 2.0657 3.8468 3.8892 3.6931 3.9158 3.8864 3.8900 3.8894 3.8519 3.6740 3.8636 4.0067 3.7232 3.8542 3.9353 3.7001 3.8728 4.0680 3.7911 3.9729 3.6880 3.9634 3.8526 3.8942 3.8201 3.8766 1.0081 1.0164 0.9995 1.0044 1.0103 1.0081 1.0095 1.0340 1.0109 1.0123 1.0036 1.0015 0.9930 0.9947 1.0128 1.0135 0.9808 0.9992 0.9969 0.9866 0.9870 1.0031 1.0054 1.0034 1.0057 1.0000 0.9884 0.9738 0.9955 4.1161 1.0646 2.0652 2.0657 3.8468 3.8892 3.6931 3.9158 3.8864 3.8900 3.8894 3.8519 3.6740 3.8636 4.0067 3.7232 3.8542 3.9353 3.7001 3.8728 4.0680 3.7911 3.9729 3.6880 3.9634 3.8526 3.8942 3.8201 3.8766 1.0081 1.0164 0.9995 1.0044 1.0103 1.0081 1.0095 1.0340 1.0109 1.0123 1.0036 1.0015 0.9930 0.9947 1.0128 1.0135 0.9808 0.9992 0.9969 0.9866 0.9870 1.0031 1.0054 1.0034 1.0057 1.0000 0.9884 0.9738 0.9955 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.9595 1.0217 0.9693 0.9419 1.0727 1.0853 0.8766 0.9430 0.9403 0.9034 0.9876 0.9796 0.9409 1.0208 0.9931 1.3353 1.2722 0.9776 0.9732 0.9746 0.9786 0.9793 0.9778 0.9476 1.0182 0.9727 1.4325 0.9877 1.4875 1.0075 1.3294 1.3872 1.3075 0.9785 1.3220 1.0025 1.3695 0.9505 1.4156 0.9887 1.3961 1.4203 0.9858 0.9667 0.9732 0.9740 0.9937 0.9902 0.9936 1.3865 1.3304 1.4237 0.9910 1.3850 0.9824 1.4156 0.9851 1.3740 0.9704 0.9904 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 -0.033517610 -1510.086721574061 -13.12405 12.09364 -1.03041 28.06672 -27.57542 0.49130 11.89696 -10.53277 1.36419 1.77880 4.52135