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:-3.481,1.7406,.78;1.7243,-5.3401,-.0031;1.6827,4.2943,-1.0795;2.2747,-2.7626,-.5437;-3.6852,.243,-.3603;-2.6128,-.8165,-.1232;-1.867,2.5862,.3016;-3.3786,1.1804,2.5739;-4.9231,2.9222,.5332;-2.4937,-1.8456,-1.2498;-1.8338,3.6312,-.628;-.6341,2.1338,.7745;-1.3762,-2.814,-.9828;-.6438,4.1806,-1.0714;.574,2.6633,.339;.5755,3.6943,-.5976;-.0642,-2.3485,-.9354;-1.6142,-4.1583,-.7165;.9799,-3.1902,-.5929;-.5723,-5.0204,-.4012;.7118,-4.5257,-.328;2.9561,3.6844,-.9022;3.1404,2.4538,-1.7647;2.6123,-1.716,.2702;1.8503,-1.3195,1.3634;3.8044,-1.0675,-.0298;2.292,-.263,2.1493;4.2347,-.0197,.7699;3.4799,.3935,1.8601;-4.6839,-.1922,-.2481;-3.6301,.6064,-1.3933;-2.8082,-1.3368,.8192;-1.6359,-.3383,-.0009;-4.2808,.6409,2.8717;-2.5327,.5133,2.7525;-3.2687,2.03,3.2514;-5.0399,3.2136,-.5127;-5.8616,2.4548,.84;-4.8084,3.8373,1.1179;-3.4366,-2.3849,-1.368;-2.3135,-1.3186,-2.1916;-2.7583,4.032,-1.0292;-.5925,1.3343,1.5065;-.6492,4.9878,-1.7945;1.4942,2.2569,.7385;.1502,-1.3077,-1.1527;-2.6255,-4.5436,-.7521;-.7582,-6.067,-.1962;3.1434,3.4622,.1529;3.6724,4.4529,-1.1931;2.475,1.637,-1.4845;2.9718,2.6871,-2.817;4.1649,2.0932,-1.6656;.9255,-1.8211,1.6169;4.3912,-1.3862,-.8825;1.6971,.0423,3.0007;5.1655,.4794,.5324;3.8162,1.2149,2.479; 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 2904.8916857227 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 5.648e-06 Time for diagonalization 0.839 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.820 sec Total time needed 1.678 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:-3.481,1.7406,.78;1.7243,-5.3401,-.0031;1.6827,4.2943,-1.0795;2.2747,-2.7626,-.5437;-3.6852,.243,-.3603;-2.6128,-.8165,-.1232;-1.867,2.5862,.3016;-3.3786,1.1804,2.5739;-4.9231,2.9222,.5332;-2.4937,-1.8456,-1.2498;-1.8338,3.6312,-.628;-.6341,2.1338,.7745;-1.3762,-2.814,-.9828;-.6438,4.1806,-1.0714;.574,2.6633,.339;.5755,3.6943,-.5976;-.0642,-2.3485,-.9354;-1.6142,-4.1583,-.7165;.9799,-3.1902,-.5929;-.5723,-5.0204,-.4012;.7118,-4.5257,-.328;2.9561,3.6844,-.9022;3.1404,2.4538,-1.7647;2.6123,-1.716,.2702;1.8503,-1.3195,1.3634;3.8044,-1.0675,-.0298;2.292,-.263,2.1493;4.2347,-.0197,.7699;3.4799,.3935,1.8601;-4.6839,-.1922,-.2481;-3.6301,.6064,-1.3933;-2.8082,-1.3368,.8192;-1.6359,-.3383,-.0009;-4.2808,.6409,2.8717;-2.5327,.5133,2.7525;-3.2687,2.03,3.2514;-5.0399,3.2136,-.5127;-5.8616,2.4548,.84;-4.8084,3.8373,1.1179;-3.4366,-2.3849,-1.368;-2.3135,-1.3185,-2.1916;-2.7583,4.032,-1.0292;-.5925,1.3343,1.5065;-.6492,4.9879,-1.7945;1.4942,2.2569,.7385;.1502,-1.3077,-1.1527;-2.6255,-4.5436,-.7521;-.7582,-6.067,-.1962;3.1434,3.4622,.1529;3.6724,4.4529,-1.1931;2.475,1.637,-1.4845;2.9718,2.6871,-2.817;4.1649,2.0932,-1.6656;.9255,-1.8211,1.6169;4.3912,-1.3862,-.8825;1.6971,.0423,3.0007;5.1655,.4794,.5324;3.8162,1.2149,2.479; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 379.3502031999997 AuxInfo=1/0/N:23,8,9,22,29,27,28,6,10,25,26,18,14,15,11,12,20,5,17,13,16,24,7,21,19,2,3,4,1/E:(2,3)(6,7)(10,11)(13,14)(15,16)/CRV:5.3,6.3,7.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3/rA:58nSiFOOCCC3CCCC3C3C3C3C3C3C3C3C3C3C3CCC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s1;s1;s1;s6;s7;s7;s10;s11;s12;s3s14s15;s13;s13;s4s17;s18;s2s19s20;s3;s22;s4;s24;s24;s25;s26;s27s28;s5;s5;s6;s6;s8;s8;s8;s9;s9;s9;s10;s10;s11;s12;s14;s15;s17;s18;s20;s22;s22;s23;s23;s23;s25;s26;s27;s28;s29;/rC:-3.481,1.7406,.78;1.7243,-5.3401,-.0031;1.6827,4.2943,-1.0795;2.2747,-2.7626,-.5437;-3.6852,.243,-.3603;-2.6128,-.8165,-.1232;-1.867,2.5862,.3016;-3.3786,1.1804,2.5739;-4.9231,2.9222,.5332;-2.4937,-1.8456,-1.2498;-1.8338,3.6312,-.628;-.6341,2.1338,.7745;-1.3762,-2.814,-.9828;-.6438,4.1806,-1.0714;.574,2.6633,.339;.5755,3.6943,-.5976;-.0642,-2.3485,-.9354;-1.6142,-4.1583,-.7165;.9799,-3.1902,-.5929;-.5723,-5.0204,-.4012;.7118,-4.5257,-.328;2.9561,3.6844,-.9022;3.1404,2.4538,-1.7647;2.6123,-1.716,.2702;1.8503,-1.3195,1.3634;3.8044,-1.0675,-.0298;2.292,-.263,2.1493;4.2347,-.0197,.7699;3.4799,.3935,1.8601;-4.6839,-.1922,-.2481;-3.6301,.6064,-1.3933;-2.8082,-1.3368,.8192;-1.6359,-.3383,-.0009;-4.2808,.6409,2.8717;-2.5327,.5133,2.7525;-3.2687,2.03,3.2514;-5.0399,3.2136,-.5127;-5.8616,2.4548,.84;-4.8084,3.8373,1.1179;-3.4366,-2.3849,-1.368;-2.3135,-1.3186,-2.1916;-2.7583,4.032,-1.0292;-.5925,1.3343,1.5065;-.6492,4.9878,-1.7945;1.4942,2.2569,.7385;.1502,-1.3077,-1.1527;-2.6255,-4.5436,-.7521;-.7582,-6.067,-.1962;3.1434,3.4622,.1529;3.6724,4.4529,-1.1931;2.475,1.637,-1.4845;2.9718,2.6871,-2.817;4.1649,2.0932,-1.6656;.9255,-1.8211,1.6169;4.3912,-1.3862,-.8825;1.6971,.0423,3.0007;5.1655,.4794,.5324;3.8162,1.2149,2.479; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Si F O C H 2.4700 1.7300 1.6280 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3386 GEPOL Volume 2923.9548 GEPOL Surface-area 1642.4405 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 1.2s) Overall time for CPCM initialization 1.4s -1510.06840007 2904.89168572 -4414.96008580 -7839.34454617 3424.38446037 -0.02326789 -3013.97946255 1503.91106248 2.00409422 109.000114990240 109.000114990240 218.000229980480 -135.231741723048 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 -1800.6061 -674.9054 -524.7192 -524.1056 -282.0240 -281.6344 -281.5946 -281.3699 -280.9101 -280.0044 -279.9117 -279.8437 -279.8297 -279.8231 -279.7706 -279.7641 -279.7150 -279.7101 -279.6882 -279.6147 -279.5204 -279.4802 -279.4206 -279.3629 -279.1761 -279.1226 -278.8097 -278.7028 -278.7011 -145.6665 -100.7313 -100.7197 -100.7128 -36.7996 -33.0463 -32.2931 -27.0783 -26.6270 -26.4038 -24.9661 -24.2194 -24.1565 -23.6707 -23.5829 -23.4424 -23.0999 -22.8690 -22.0702 -21.3890 -21.3608 -20.6895 -20.4962 -19.9441 -19.6102 -19.4831 -19.0319 -18.6515 -18.5934 -18.0421 -17.5209 -17.3009 -16.8863 -16.4021 -16.1379 -16.1014 -15.9714 -15.6495 -15.3546 -15.1536 -15.0362 -14.8905 -14.7958 -14.6456 -14.5039 -14.3460 -14.2752 -14.1924 -14.0033 -13.9234 -13.7645 -13.6759 -13.5611 -13.3725 -13.2528 -12.9932 -12.9538 -12.9040 -12.8416 -12.7472 -12.5954 -12.4664 -12.4190 -12.2220 -12.0410 -11.8435 -11.7599 -11.6117 -11.4366 -11.3081 -11.0561 -10.5041 -10.3320 -9.9549 -9.5888 -9.4165 -9.2912 -8.8877 -8.4943 -8.2820 1.2853 1.6071 1.6884 1.8120 1.8995 2.1345 2.9277 3.2589 3.3804 3.6230 3.8651 3.9472 4.1463 4.2539 4.2918 4.4012 4.4398 4.6473 4.8186 4.8864 4.9485 5.0320 5.1491 5.1766 5.2513 5.3637 5.5252 5.6103 5.8033 5.8290 5.8864 5.9155 5.9648 6.0653 6.1044 6.2405 6.2551 6.4501 6.4778 6.5475 6.5783 6.7123 6.7699 6.9268 7.0395 7.2013 7.2199 7.3740 7.4648 7.5798 7.6353 7.7458 7.7951 7.8609 7.9446 7.9502 8.0664 8.2102 8.3000 8.3888 8.4881 8.5496 8.6678 8.7140 8.8607 8.9494 8.9952 9.0989 9.2636 9.3236 9.5670 9.6642 9.7650 9.7813 9.8547 9.9980 10.0594 10.1691 10.3044 10.4583 10.6059 10.6346 10.6793 10.7846 10.9205 11.0336 11.1387 11.1685 11.2469 11.3566 11.4128 11.4557 11.5081 11.6611 11.7363 11.7907 11.9394 12.0869 12.0967 12.1849 12.3767 12.4620 12.5330 12.6279 12.6799 12.7776 12.8746 13.0295 13.0469 13.0764 13.2058 13.3123 13.3330 13.3978 13.4567 13.5524 13.6989 13.7572 13.7804 13.9016 13.9266 13.9484 14.0174 14.1431 14.2187 14.2838 14.4400 14.5170 14.5604 14.6019 14.6925 14.7396 14.8236 14.8631 15.0170 15.0555 15.1691 15.1931 15.2850 15.4081 15.4787 15.5779 15.7609 15.8162 15.8308 15.8571 16.0205 16.1015 16.1572 16.2281 16.3827 16.4031 16.5605 16.6307 16.7440 16.7880 16.8932 17.0146 17.2022 17.2425 17.3831 17.4628 17.5582 17.6621 17.7874 17.9865 18.0247 18.1666 18.3969 18.4074 18.4995 18.6822 18.8284 18.9175 19.0970 19.2025 19.2641 19.3971 19.4698 19.5681 19.6537 19.7923 19.9112 20.0641 20.1308 20.1530 20.1868 20.3142 20.4391 20.4946 20.6398 20.8830 20.9687 21.0619 21.1273 21.2660 21.4525 21.4889 21.6211 21.6858 21.8384 21.9250 21.9946 22.0683 22.2474 22.3959 22.4645 22.5088 22.6483 22.8120 22.8531 22.9673 23.1018 23.2448 23.3068 23.6599 23.7068 23.7948 23.8320 23.9461 24.0866 24.1299 24.2442 24.4054 24.4532 24.6784 24.7024 24.8725 25.0485 25.1524 25.2658 25.2812 25.5369 25.5811 25.7692 25.8898 25.8981 25.9964 26.1662 26.2395 26.3275 26.4998 26.5562 26.6671 26.7700 26.8103 27.0155 27.0723 27.3085 27.3932 27.4345 27.6172 27.7239 27.8744 27.8954 27.9808 28.0857 28.2959 28.3655 28.4665 28.6646 28.8786 28.9349 29.0151 29.1283 29.3381 29.5198 29.6097 29.6943 29.7937 29.9393 30.0679 30.1694 30.2124 30.2595 30.5117 30.6281 30.8449 30.8492 30.9392 31.1489 31.2183 31.3285 31.3501 31.5104 31.5998 31.7472 31.8003 31.9700 31.9798 32.0947 32.2977 32.4689 32.4755 32.6834 32.7767 32.8762 32.9643 33.0483 33.0824 33.3543 33.4128 33.4761 33.5335 33.7246 33.7623 33.8596 34.0741 34.1196 34.2188 34.4608 34.6274 34.6651 34.8086 34.8498 34.9612 35.1101 35.3182 35.5145 35.6704 35.6908 35.8246 35.8902 36.1272 36.2814 36.3420 36.4455 36.5558 36.6383 36.6684 36.8896 36.9297 37.1907 37.3018 37.3209 37.4739 37.5607 37.7294 37.8271 37.9216 38.0220 38.1407 38.2308 38.3228 38.4880 38.5909 38.6792 38.7974 38.8622 38.8880 38.9760 39.0799 39.2136 39.2900 39.3447 39.4461 39.4617 39.6036 39.7775 39.8822 39.9901 40.1183 40.1937 40.2948 40.4200 40.5113 40.8132 40.8875 41.0180 41.0779 41.2582 41.3938 41.5253 41.5857 41.7843 41.8311 42.0330 42.0638 42.1241 42.2249 42.3177 42.3986 42.4379 42.6052 42.7108 42.8475 42.9519 43.1695 43.1915 43.3402 43.4701 43.6345 43.6621 43.7125 43.8339 43.9616 44.0694 44.1520 44.2363 44.3145 44.4832 44.5200 44.6591 44.7094 44.8368 45.0534 45.1810 45.3084 45.4025 45.5035 45.6435 45.7333 45.7609 45.9284 46.0439 46.2708 46.3324 46.3464 46.5150 46.7919 46.8878 47.0541 47.1736 47.4128 47.4317 47.5923 47.6504 47.8278 47.9038 48.1126 48.3365 48.3981 48.4890 48.5291 48.6746 48.8613 48.9972 49.0910 49.2296 49.5311 49.6351 49.7509 50.0363 50.0514 50.0925 50.3229 50.3916 50.5399 50.6888 50.7952 50.9718 51.3111 51.4492 51.6911 51.8986 51.9296 52.2834 52.3825 52.3887 52.7010 52.7872 52.9969 53.0961 53.2243 53.3357 53.4202 53.6271 53.9740 54.1656 54.4126 54.7751 54.8298 55.1434 55.4702 55.6135 55.7402 56.1657 56.1971 56.3834 56.5887 56.6145 56.9519 57.1080 57.2051 57.2888 57.7132 57.9876 58.0790 58.2282 58.3033 58.4888 58.7200 58.9226 58.9611 59.2043 59.4528 59.5500 59.8227 59.8974 60.3792 60.4602 60.6225 60.9502 61.1895 61.2977 61.4235 61.6883 61.8463 62.3115 62.5484 62.6095 62.7090 63.0279 63.4623 63.6543 63.7102 64.1240 64.2767 64.4214 64.6387 64.8194 64.8641 65.1409 65.4233 65.5980 65.7043 66.0728 66.0990 66.4305 66.7386 67.0077 67.1857 67.4888 67.7445 67.8960 67.9471 68.0269 68.2456 68.4484 68.6862 68.9384 69.2201 69.3694 69.5774 69.6774 69.9728 70.4323 70.8564 71.0546 71.4576 71.5748 71.7055 72.1966 72.3759 72.5099 72.8611 73.0922 73.2240 73.2493 73.5826 73.7785 73.8814 74.0154 74.2777 74.3595 74.6409 74.9178 74.9702 75.1076 75.2182 75.3021 75.5385 75.7003 75.7500 75.8839 76.0418 76.3246 76.4335 76.6584 76.7772 76.9728 77.1662 77.3397 77.4180 77.6195 77.7239 77.9266 78.0854 78.1713 78.2759 78.3999 78.5074 78.6286 78.7285 78.8510 78.9394 79.0298 79.1273 79.1624 79.3811 79.4736 79.4943 79.6915 79.7301 79.8482 79.9384 80.1697 80.2351 80.2929 80.3763 80.5437 80.6786 80.7937 80.8730 81.0610 81.1656 81.3257 81.3509 81.4983 81.5979 81.8796 81.9523 81.9645 82.1152 82.2795 82.3870 82.4680 82.5250 82.6840 82.8329 83.0518 83.1428 83.2149 83.3767 83.4119 83.5313 83.6621 83.8077 83.9592 84.1712 84.2246 84.5322 84.6032 84.6614 84.7399 84.8309 84.9553 84.9936 85.1773 85.3709 85.4182 85.4826 85.5793 85.6166 85.7991 85.8658 86.0229 86.0571 86.1945 86.2568 86.2887 86.3604 86.4704 86.5616 86.7422 86.7983 86.9495 87.1144 87.1233 87.1641 87.3726 87.4289 87.4756 87.6893 87.7264 87.9184 88.0865 88.1417 88.2671 88.4131 88.5227 88.5601 88.7547 88.8155 88.9545 89.0542 89.0996 89.1850 89.2715 89.4261 89.4520 89.7704 89.8055 89.8652 89.9199 89.9912 90.0888 90.2123 90.2670 90.5249 90.5853 90.6142 90.6974 90.8585 90.9143 91.0545 91.1235 91.3057 91.5619 91.6111 91.7364 91.7947 91.8623 92.0384 92.1435 92.2313 92.4625 92.5989 92.7210 92.7647 92.8916 92.9143 92.9979 93.1336 93.2252 93.3595 93.5513 93.6522 93.6929 93.7576 93.8322 94.0439 94.0758 94.2078 94.3106 94.4190 94.4397 94.6390 94.7255 94.8128 94.9359 95.1127 95.2053 95.3751 95.4840 95.6614 95.8282 95.8922 96.0481 96.2597 96.3807 96.4940 96.5538 96.6273 96.7484 96.7878 96.8622 97.0303 97.1917 97.3776 97.5097 97.6751 97.7377 97.8852 98.0107 98.1214 98.2254 98.3252 98.5998 98.6583 98.7554 98.7618 98.8993 99.1106 99.1862 99.2756 99.3665 99.4182 99.5194 99.6769 99.8693 99.9328 99.9900 100.0078 100.2251 100.2354 100.4896 100.6570 100.7364 100.9005 101.0540 101.2341 101.3560 101.4403 101.7000 101.9385 101.9655 102.1064 102.2891 102.4744 102.5988 102.6583 102.9563 103.0500 103.1395 103.3157 103.5744 103.6809 103.7986 103.9482 104.0766 104.3053 104.3325 104.4736 104.5281 104.7577 104.9629 105.1741 105.2667 105.2959 105.5462 105.5827 105.6796 105.7674 105.8233 106.0125 106.1144 106.3149 106.4759 106.5720 106.6491 106.8578 106.9121 107.0883 107.1826 107.2658 107.3872 107.5702 107.7457 107.8771 108.0614 108.1687 108.4345 108.5023 108.5644 108.7260 108.8345 109.0168 109.1178 109.3191 109.4048 109.4543 109.6211 109.7475 109.8839 110.0333 110.1218 110.3036 110.3907 110.4558 110.6716 110.7270 110.7951 110.9958 111.1698 111.4251 111.4541 111.6610 111.7962 111.8162 111.8831 112.1519 112.2295 112.4562 112.6506 112.9023 112.9194 113.1164 113.1632 113.3153 113.4825 113.5440 113.6905 113.8995 113.9847 114.1170 114.2249 114.2711 114.4629 114.6338 114.6921 114.7676 114.9305 114.9985 115.2390 115.3275 115.3780 115.4809 115.5497 115.7778 115.8416 116.0359 116.1427 116.2584 116.3774 116.4239 116.5015 116.7395 116.8907 117.1202 117.2093 117.3482 117.4798 117.6504 117.7462 117.8916 118.1128 118.1179 118.2689 118.3208 118.3626 118.5314 118.6580 118.7695 118.8229 118.9450 118.9945 119.1120 119.1756 119.3118 119.3925 119.5105 119.5889 119.6241 119.8315 120.0036 120.1265 120.2116 120.3342 120.4641 120.6422 120.8801 120.9076 121.1075 121.2611 121.4413 121.5889 121.6075 121.9701 121.9756 122.2190 122.2747 122.5033 122.5982 122.7612 123.0066 123.2302 123.4171 123.5424 123.8301 123.9334 124.2960 124.6791 124.8708 125.1352 125.2306 125.5011 125.7994 125.9921 126.0732 126.3682 126.6276 126.6978 126.9532 127.0542 127.1093 127.3949 127.5246 127.6238 127.7685 128.0507 128.3045 128.3587 128.4238 128.7685 128.9984 129.1038 129.3131 129.6001 129.9881 130.0244 130.1309 130.2559 130.3679 130.8617 131.0820 131.1465 131.2676 131.4121 131.4667 131.6534 131.8335 132.0573 132.2164 132.3081 132.3685 132.4460 132.6125 132.9072 132.9992 133.1614 133.3464 133.5066 133.7545 134.1182 134.5079 134.9037 135.0762 135.2879 135.6059 135.7249 135.7989 136.0669 136.3239 136.3999 136.5871 136.9121 137.1204 137.6640 137.7406 137.8290 137.9103 138.1696 138.2883 138.5152 138.6818 138.9605 139.3574 139.5715 139.7417 139.7811 140.0286 140.4857 140.5139 140.8719 141.0654 141.4736 141.5081 141.8442 142.0057 142.2050 142.5100 143.0211 143.1309 143.3468 143.5743 143.7346 143.8102 143.9408 144.2064 144.3191 144.4540 144.6740 144.7664 144.9064 145.1898 145.3978 145.8761 146.2152 146.3786 146.8652 147.1165 147.3631 147.6342 147.7255 148.0408 148.1083 148.2872 148.5976 148.6789 148.9459 149.2521 149.3540 149.4360 149.6245 149.7091 149.7879 149.9070 150.2738 150.3955 150.5016 150.6046 150.7163 150.8868 151.0702 151.2568 151.4653 151.8249 151.9250 152.0765 152.3964 152.7992 153.0371 153.3618 153.6685 154.0557 154.2493 154.9549 155.0551 155.5526 155.7311 156.1089 156.2207 156.4376 156.6546 156.7182 156.9573 157.0804 157.2482 157.3664 157.4925 157.7554 157.9633 158.2292 158.5058 158.7772 159.2141 159.2831 159.8316 160.1246 160.6341 160.9760 161.6956 161.7694 162.3004 163.5209 164.1892 164.3483 164.3731 167.8498 168.6404 169.5526 169.9123 171.9099 172.8093 174.3593 174.6029 177.0009 180.6981 180.7054 182.3615 186.0846 186.1885 187.1165 187.6183 188.7031 188.8629 189.4583 190.2045 190.3576 191.0972 192.0082 192.7950 194.1235 195.4416 196.1660 200.0314 201.4755 202.3626 206.0769 206.5834 207.4774 212.5641 229.8800 235.8968 241.1486 247.9840 248.8758 338.7714 617.8624 620.1221 621.4025 629.4231 630.0470 631.9396 632.5278 632.5933 634.1771 634.4633 635.1925 635.9842 636.6699 637.1641 637.8447 638.5596 639.2856 640.0956 642.3446 644.1358 644.7521 647.4684 654.1290 655.5950 658.3718 1212.5539 1215.1386 1563.1440 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 0.487170 -0.216580 -0.338199 -0.331308 -0.257265 -0.090604 -0.143187 -0.421457 -0.457852 -0.069460 -0.102284 -0.187788 0.004001 -0.259843 -0.201870 0.289277 -0.211989 -0.180365 0.182816 -0.175598 0.200949 0.053601 -0.272849 0.320235 -0.186733 -0.238814 -0.190265 -0.150550 -0.165802 0.085745 0.074663 0.088764 0.044157 0.107290 0.099621 0.109270 0.099868 0.105188 0.105735 0.079624 0.090055 0.135351 0.149505 0.131244 0.128008 0.148500 0.140377 0.147332 0.081305 0.107302 0.080634 0.103638 0.093772 0.153999 0.143747 0.160629 0.158602 0.158690 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 13.5128 9.2166 8.3382 8.3313 6.2573 6.0906 6.1432 6.4215 6.4579 6.0695 6.1023 6.1878 5.9960 6.2598 6.2019 5.7107 6.2120 6.1804 5.8172 6.1756 5.7991 5.9464 6.2728 5.6798 6.1867 6.2388 6.1903 6.1506 6.1658 0.9143 0.9253 0.9112 0.9558 0.8927 0.9004 0.8907 0.9001 0.8948 0.8943 0.9204 0.9099 0.8646 0.8505 0.8688 0.8720 0.8515 0.8596 0.8527 0.9187 0.8927 0.9194 0.8964 0.9062 0.8460 0.8563 0.8394 0.8414 0.8413 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 0.4872 -0.2166 -0.3382 -0.3313 -0.2573 -0.0906 -0.1432 -0.4215 -0.4579 -0.0695 -0.1023 -0.1878 0.0040 -0.2598 -0.2019 0.2893 -0.2120 -0.1804 0.1828 -0.1756 0.2009 0.0536 -0.2728 0.3202 -0.1867 -0.2388 -0.1903 -0.1506 -0.1658 0.0857 0.0747 0.0888 0.0442 0.1073 0.0996 0.1093 0.0999 0.1052 0.1057 0.0796 0.0901 0.1354 0.1495 0.1312 0.1280 0.1485 0.1404 0.1473 0.0813 0.1073 0.0806 0.1036 0.0938 0.1540 0.1437 0.1606 0.1586 0.1587 4.1394 1.0707 2.0737 2.0857 3.8444 3.8810 3.7583 3.8849 3.9270 3.8139 3.8935 3.8933 3.6769 4.0364 3.8066 3.8008 3.9297 3.8952 3.6917 3.8777 4.0640 3.8475 3.9164 3.6758 3.8405 3.9467 3.8671 3.8515 3.8201 1.0140 1.0164 1.0061 1.0084 1.0074 1.0097 1.0085 1.0111 1.0112 1.0096 1.0147 1.0067 0.9883 0.9794 1.0154 1.0253 0.9961 1.0032 0.9987 0.9959 0.9931 1.0005 1.0096 1.0074 0.9998 1.0093 0.9911 0.9882 0.9906 4.1394 1.0707 2.0737 2.0857 3.8444 3.8810 3.7583 3.8849 3.9270 3.8139 3.8935 3.8933 3.6769 4.0364 3.8066 3.8008 3.9297 3.8952 3.6917 3.8777 4.0640 3.8475 3.9164 3.6758 3.8405 3.9467 3.8671 3.8515 3.8201 1.0140 1.0164 1.0061 1.0084 1.0074 1.0097 1.0085 1.0111 1.0112 1.0096 1.0147 1.0067 0.9883 0.9794 1.0154 1.0253 0.9961 1.0032 0.9987 0.9959 0.9931 1.0005 1.0096 1.0074 0.9998 1.0093 0.9911 0.9882 0.9906 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.9482 0.9930 0.9579 0.9805 1.0707 1.0707 0.8977 0.9309 0.9769 0.9195 0.9820 0.9869 0.9221 0.9960 1.0057 1.3287 1.3644 0.9738 0.9758 0.9719 0.9746 0.9747 0.9748 0.8841 1.0119 1.0079 1.4923 0.9849 1.4094 0.9540 1.3593 1.3728 1.3605 0.9945 1.3158 0.9640 1.3838 0.9672 1.4043 0.9812 1.3880 1.4292 0.9851 0.9429 0.9941 0.9822 0.9923 0.9862 0.9853 1.3339 1.3594 1.3899 0.9735 1.4200 0.9958 1.3820 0.9904 1.3626 0.9972 0.9969 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 -0.032327600 -1510.100727674083 -17.78567 17.20971 -0.57596 24.74945 -24.43964 0.30982 2.62369 -2.38709 0.23660 0.69549 1.76778