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:-2.9823,1.3978,.0623;1.2741,-4.3223,1.3445;2.1465,4.1156,1.7959;1.8918,-2.8091,-.7684;-2.4031,-.1231,-.897;-3.4537,-1.1879,-1.1982;-1.4226,2.2801,.6461;-3.9804,.846,1.562;-4.0137,2.5457,-1.0122;-2.884,-2.4283,-1.9084;-.5875,1.6749,1.5873;-1.0033,3.5147,.1422;-1.7688,-3.0463,-1.1149;.6095,2.2438,2.002;.1853,4.1034,.5403;1.01,3.4684,1.47;-.4465,-2.7098,-1.3876;-2.0384,-3.8621,-.0194;.5833,-3.123,-.5549;-1.0148,-4.3129,.8008;.2814,-3.9242,.5367;3.1566,3.4517,2.5467;3.901,2.4035,1.7467;2.2357,-1.5436,-1.1645;1.5509,-.4104,-.7416;3.3486,-1.4297,-1.9864;1.9732,.8388,-1.1735;3.7714,-.1726,-2.3935;3.082,.9662,-1.999;-1.9166,.2061,-1.8229;-1.6039,-.5638,-.292;-4.2513,-.7731,-1.8214;-3.9314,-1.51,-.2678;-4.9117,.3572,1.2673;-3.4259,.1358,2.18;-4.2472,1.6926,2.1982;-3.4717,2.879,-1.8995;-4.9171,2.0392,-1.3605;-4.3359,3.4355,-.4672;-3.6877,-3.1531,-2.0597;-2.5216,-2.1435,-2.8994;-.8607,.7176,2.0195;-1.6104,4.0395,-.5871;1.2124,1.7176,2.7301;.4873,5.0588,.1275;-.222,-2.0854,-2.2444;-3.0596,-4.1425,.2081;-1.2215,-4.9458,1.6545;2.7441,3.0283,3.4675;3.8423,4.2447,2.8453;3.2759,1.5542,1.4716;4.3215,2.8293,.8347;4.7283,2.019,2.3453;.6952,-.4877,-.0836;3.8787,-2.3192,-2.3034;1.4301,1.7183,-.8506;4.64,-.0878,-3.034;3.4068,1.9442,-2.3288; 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 2945.9238462144 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 6.290e-06 Time for diagonalization 0.508 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.520 sec Total time needed 1.042 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:-2.9823,1.3978,.0623;1.2741,-4.3223,1.3445;2.1465,4.1156,1.7959;1.8918,-2.8091,-.7684;-2.4031,-.1231,-.897;-3.4537,-1.1879,-1.1982;-1.4226,2.2801,.6461;-3.9804,.846,1.562;-4.0137,2.5457,-1.0122;-2.884,-2.4283,-1.9084;-.5875,1.6749,1.5873;-1.0033,3.5147,.1422;-1.7688,-3.0463,-1.1149;.6095,2.2438,2.002;.1853,4.1034,.5403;1.01,3.4684,1.47;-.4465,-2.7098,-1.3876;-2.0384,-3.8621,-.0194;.5833,-3.123,-.5549;-1.0148,-4.3129,.8008;.2814,-3.9242,.5367;3.1566,3.4517,2.5467;3.901,2.4035,1.7467;2.2357,-1.5436,-1.1645;1.5509,-.4104,-.7416;3.3486,-1.4297,-1.9864;1.9732,.8388,-1.1735;3.7714,-.1726,-2.3935;3.082,.9662,-1.999;-1.9166,.2061,-1.8229;-1.6039,-.5638,-.292;-4.2513,-.7731,-1.8214;-3.9314,-1.51,-.2678;-4.9117,.3572,1.2673;-3.4259,.1358,2.18;-4.2472,1.6926,2.1982;-3.4717,2.879,-1.8995;-4.9171,2.0392,-1.3605;-4.3359,3.4355,-.4672;-3.6877,-3.1531,-2.0597;-2.5216,-2.1435,-2.8994;-.8607,.7176,2.0195;-1.6104,4.0395,-.5871;1.2124,1.7176,2.7301;.4873,5.0588,.1275;-.222,-2.0854,-2.2444;-3.0596,-4.1425,.2081;-1.2215,-4.9458,1.6545;2.7441,3.0283,3.4675;3.8423,4.2447,2.8453;3.2759,1.5542,1.4716;4.3215,2.8293,.8347;4.7283,2.019,2.3453;.6952,-.4877,-.0836;3.8787,-2.3192,-2.3034;1.4301,1.7183,-.8506;4.64,-.0878,-3.034;3.4068,1.9442,-2.3288; 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:-2.9823,1.3978,.0623;1.2741,-4.3223,1.3445;2.1465,4.1156,1.7959;1.8918,-2.8091,-.7684;-2.4031,-.1231,-.897;-3.4537,-1.1879,-1.1982;-1.4226,2.2801,.6461;-3.9804,.846,1.562;-4.0137,2.5457,-1.0122;-2.884,-2.4283,-1.9084;-.5875,1.6749,1.5873;-1.0033,3.5147,.1422;-1.7688,-3.0463,-1.1149;.6095,2.2438,2.002;.1853,4.1034,.5403;1.01,3.4684,1.47;-.4465,-2.7098,-1.3876;-2.0384,-3.8621,-.0194;.5833,-3.123,-.5549;-1.0148,-4.3129,.8008;.2814,-3.9242,.5367;3.1566,3.4517,2.5467;3.901,2.4035,1.7467;2.2357,-1.5436,-1.1645;1.5509,-.4104,-.7416;3.3486,-1.4297,-1.9864;1.9732,.8388,-1.1735;3.7714,-.1726,-2.3935;3.082,.9662,-1.999;-1.9166,.2061,-1.8229;-1.6039,-.5638,-.292;-4.2513,-.7731,-1.8214;-3.9314,-1.51,-.2678;-4.9117,.3572,1.2673;-3.4259,.1358,2.18;-4.2472,1.6926,2.1982;-3.4717,2.879,-1.8995;-4.9171,2.0392,-1.3605;-4.3359,3.4355,-.4672;-3.6877,-3.1531,-2.0597;-2.5216,-2.1435,-2.8994;-.8607,.7176,2.0195;-1.6104,4.0395,-.5871;1.2124,1.7176,2.7301;.4873,5.0588,.1275;-.222,-2.0854,-2.2444;-3.0596,-4.1425,.2081;-1.2215,-4.9458,1.6545;2.7441,3.0283,3.4675;3.8423,4.2447,2.8453;3.2759,1.5542,1.4716;4.3215,2.8293,.8347;4.7283,2.019,2.3453;.6952,-.4877,-.0836;3.8787,-2.3192,-2.3034;1.4301,1.7183,-.8506;4.64,-.0878,-3.034;3.4068,1.9442,-2.3288; 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 3383 GEPOL Volume 2928.2817 GEPOL Surface-area 1631.6573 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -1510.06716135 2945.92384621 -4455.99100756 -7921.72074227 3465.72973471 -0.02247179 -3013.97444781 1503.90728646 2.00409591 109.000112393973 109.000112393973 218.000224787945 -135.233635009844 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 -1800.6003 -674.8711 -524.7096 -524.1226 -281.9736 -281.6153 -281.5660 -281.3880 -280.9139 -279.9552 -279.8938 -279.8004 -279.7867 -279.7820 -279.7279 -279.7240 -279.7129 -279.7046 -279.7033 -279.5991 -279.5507 -279.4891 -279.4219 -279.3970 -279.1709 -279.1316 -278.7676 -278.7101 -278.6817 -145.6603 -100.7270 -100.7127 -100.7060 -36.7597 -33.0289 -32.3079 -27.0494 -26.6066 -26.4132 -24.9617 -24.1906 -24.1465 -23.6478 -23.5085 -23.4463 -23.0755 -22.8717 -22.0643 -21.3996 -21.3493 -20.6657 -20.5122 -19.9148 -19.5989 -19.4896 -19.2764 -18.6466 -18.3706 -17.9659 -17.4605 -17.2866 -16.8582 -16.3413 -16.1115 -16.0847 -15.9522 -15.6201 -15.4594 -15.1635 -14.9494 -14.8275 -14.7606 -14.6759 -14.5651 -14.3361 -14.2569 -14.2049 -14.0562 -13.9320 -13.7162 -13.6334 -13.4067 -13.3308 -13.2433 -13.2270 -12.9968 -12.9405 -12.8062 -12.7380 -12.6004 -12.4718 -12.3804 -12.1904 -12.0315 -11.8262 -11.6298 -11.6130 -11.3488 -11.2851 -11.0934 -10.4710 -10.3399 -9.9744 -9.5848 -9.4115 -9.2779 -8.9253 -8.3840 -8.2687 1.3225 1.5795 1.6556 1.8434 1.9806 2.1544 2.9870 3.4148 3.5457 3.6882 3.8181 3.9751 4.1028 4.2116 4.3161 4.5160 4.5334 4.6186 4.7258 4.8737 5.0018 5.0426 5.0844 5.1033 5.3227 5.3765 5.5156 5.5293 5.5989 5.7404 5.8431 5.9553 5.9990 6.0012 6.2084 6.2304 6.2982 6.3453 6.5512 6.5958 6.6587 6.6849 6.8004 6.8757 6.9806 7.0392 7.1692 7.2870 7.3657 7.4743 7.6496 7.8102 7.8300 7.9026 7.9918 8.0497 8.2219 8.3234 8.3893 8.5082 8.6273 8.6894 8.7487 8.7874 8.8928 8.9850 9.0556 9.0788 9.2045 9.4381 9.5040 9.5292 9.6507 9.7514 9.9376 9.9693 10.0852 10.1737 10.3091 10.3681 10.5714 10.7012 10.7533 10.8245 10.9926 11.0537 11.1341 11.1804 11.2648 11.3245 11.3902 11.4462 11.5588 11.5798 11.7303 11.8264 11.9533 12.0290 12.1743 12.3589 12.4200 12.4775 12.6012 12.6634 12.7398 12.8691 12.9320 12.9574 13.1462 13.1675 13.1734 13.3035 13.3687 13.4143 13.4319 13.5813 13.6800 13.7148 13.8168 13.8775 13.9592 14.0057 14.1269 14.2247 14.2833 14.3636 14.4708 14.4779 14.5767 14.6997 14.7064 14.7572 14.7967 14.8780 15.0425 15.1435 15.1812 15.3197 15.4000 15.4613 15.6077 15.6533 15.6924 15.8506 15.8935 15.9466 16.0317 16.0471 16.1624 16.2127 16.2554 16.3588 16.4027 16.5216 16.6133 16.6476 16.8822 16.9688 17.0754 17.1478 17.2710 17.4959 17.5136 17.6901 17.8673 17.8831 18.0216 18.1249 18.2798 18.3389 18.4772 18.5545 18.7332 18.9339 19.0018 19.1056 19.2567 19.3730 19.5138 19.5908 19.7335 19.8180 19.9409 20.1152 20.1976 20.2777 20.3504 20.5040 20.5979 20.6451 20.8179 20.9529 20.9755 21.0310 21.1622 21.2487 21.3850 21.4328 21.6954 21.8603 21.9288 22.0027 22.0909 22.2130 22.2858 22.4548 22.5349 22.5796 22.6288 22.8582 22.9748 23.0890 23.1496 23.2499 23.3996 23.4717 23.6675 23.7250 23.8638 23.9380 24.2510 24.3325 24.4562 24.5129 24.7145 24.7765 24.9555 25.0354 25.1012 25.1725 25.2889 25.4900 25.5660 25.6036 25.6343 25.8073 25.9488 26.0828 26.2008 26.3054 26.4390 26.5430 26.7263 26.7503 26.9297 26.9623 26.9936 27.2938 27.4006 27.5816 27.6080 27.7898 27.8665 28.0156 28.1808 28.2580 28.3810 28.6052 28.6263 28.6878 28.9351 29.0345 29.1634 29.2494 29.4734 29.5570 29.5806 29.6655 29.7268 29.8198 29.8809 29.9686 30.1713 30.2548 30.4805 30.5162 30.5943 30.7954 30.9029 30.9517 31.0639 31.1503 31.3378 31.4898 31.5230 31.7100 31.8310 31.9983 32.1626 32.3751 32.4535 32.5423 32.5873 32.8103 32.8646 32.9442 33.0714 33.1737 33.3234 33.3791 33.4509 33.5770 33.6580 33.6778 33.7811 33.8983 33.9959 34.1605 34.2912 34.3300 34.4800 34.5676 34.7014 34.9295 35.0447 35.1064 35.2866 35.3221 35.4205 35.5502 35.7815 35.8436 35.9510 36.0066 36.1907 36.3308 36.3908 36.5885 36.7980 36.8394 36.9700 37.0629 37.1307 37.1996 37.2863 37.3712 37.6879 37.7230 37.8306 37.9048 37.9764 38.1197 38.3155 38.3933 38.4434 38.6158 38.7915 38.8082 38.8330 38.9600 38.9928 39.1224 39.3412 39.3873 39.4340 39.6371 39.6777 39.8643 39.9274 40.1313 40.2051 40.3712 40.4762 40.5546 40.6074 40.6981 40.7638 40.9341 40.9906 41.1420 41.3336 41.4298 41.5120 41.6035 41.6549 41.7929 41.9623 42.0685 42.2091 42.3018 42.3374 42.4879 42.5982 42.6354 42.9294 43.0066 43.2021 43.3696 43.4536 43.5196 43.6464 43.7277 43.7683 43.8967 44.0763 44.2074 44.3113 44.4031 44.4251 44.6778 44.7558 44.7994 44.8499 44.9611 45.1986 45.2509 45.3859 45.4215 45.5459 45.7154 45.7981 45.9461 46.1222 46.1695 46.2704 46.4477 46.4774 46.7425 46.8109 46.8998 47.0283 47.1051 47.2099 47.3617 47.5111 47.6342 47.7687 47.9626 48.2005 48.2776 48.2986 48.4224 48.5607 48.7459 48.8094 48.9673 49.3445 49.3683 49.4298 49.4984 49.7584 49.8148 49.9402 50.0822 50.3415 50.4974 50.7085 50.9374 51.1510 51.2831 51.3855 51.5371 51.6433 51.7757 52.0807 52.2403 52.3120 52.4484 52.6118 52.8631 53.0389 53.1551 53.3242 53.3783 53.5975 53.8872 54.0958 54.1712 54.3411 54.5033 54.8881 54.9864 55.2558 55.3399 55.5101 55.8087 56.1740 56.4508 56.5196 56.8324 56.9336 57.1440 57.4013 57.4948 57.5707 57.8688 57.9249 58.0207 58.2796 58.4099 58.7322 58.7694 59.0571 59.1354 59.4934 59.5290 59.7516 60.0422 60.2163 60.3775 60.5599 60.8693 60.9832 61.5554 61.6135 61.8129 61.9999 62.3798 62.4854 62.6992 62.7743 63.0479 63.2206 63.5341 63.7047 64.0292 64.1489 64.4018 64.5125 64.5629 64.9272 65.1401 65.2829 65.4305 65.5869 65.9373 66.1511 66.2150 66.5866 66.8396 66.9579 67.4651 67.5763 67.7151 67.8037 67.8898 67.9555 68.2846 68.5143 68.7687 68.8822 69.1056 69.3292 69.6833 70.0881 70.3268 70.4144 70.6351 71.0827 71.1781 71.2601 71.5783 71.8474 72.3271 72.6077 72.7305 72.8677 73.1071 73.4443 73.7001 73.8362 73.9438 74.0545 74.2807 74.3109 74.4061 74.5985 74.6431 75.0077 75.2017 75.2955 75.4643 75.7827 75.8558 76.0406 76.3184 76.5026 76.6400 76.8100 76.9334 77.0317 77.2275 77.3068 77.5631 77.5820 77.7650 77.9846 78.1058 78.1689 78.2915 78.4568 78.5796 78.6353 78.6971 78.9085 79.0287 79.1711 79.2208 79.3857 79.4585 79.5250 79.5651 79.7570 79.8634 79.8804 80.0965 80.1398 80.1743 80.4215 80.4846 80.6364 80.7088 80.8353 80.9080 81.0827 81.1681 81.2218 81.4025 81.4914 81.8186 81.8630 82.0927 82.2204 82.4289 82.4868 82.5836 82.8064 82.9433 83.0563 83.1740 83.2188 83.2447 83.3725 83.4716 83.6129 83.7710 83.8731 84.0810 84.1377 84.2466 84.2704 84.4236 84.4986 84.6239 84.7543 84.8768 85.1387 85.1589 85.3283 85.3994 85.4831 85.5501 85.6650 85.7062 85.8077 85.9608 86.0220 86.1535 86.2090 86.3616 86.3845 86.5372 86.6579 86.7283 86.8131 86.9791 87.0332 87.1138 87.2137 87.2612 87.3906 87.5772 87.7117 87.8607 87.9736 88.0252 88.1487 88.2166 88.3051 88.4384 88.5306 88.6312 88.7373 88.7912 88.9966 89.0785 89.1477 89.2329 89.3799 89.4227 89.5524 89.6514 89.8118 89.9622 90.0666 90.1550 90.2685 90.3044 90.4290 90.5402 90.5907 90.6448 90.7939 90.9029 90.9760 91.1362 91.4765 91.5637 91.6522 91.7135 91.8621 91.9622 92.1063 92.1439 92.2852 92.3899 92.5753 92.6389 92.8231 92.9237 93.0548 93.1266 93.1444 93.3016 93.4152 93.5339 93.6536 93.8057 93.9458 93.9735 93.9919 94.0794 94.1432 94.3042 94.5551 94.6108 94.7162 94.7685 94.9028 94.9513 95.1005 95.2183 95.3907 95.6169 95.7339 95.7686 95.7928 95.9835 96.2196 96.2530 96.3733 96.5779 96.6184 96.7310 96.8880 97.0135 97.1576 97.3471 97.3932 97.4586 97.6128 97.8261 97.9244 98.0415 98.1535 98.2103 98.3994 98.5281 98.6356 98.6654 98.8683 98.8875 98.9364 99.1411 99.3249 99.3740 99.5300 99.5741 99.6769 99.8967 99.9395 99.9711 100.1870 100.2504 100.2821 100.4045 100.5802 100.6933 100.8110 101.0231 101.1072 101.1517 101.3914 101.5149 101.5984 101.8665 101.9464 102.1943 102.3300 102.5888 102.7836 102.9292 103.0937 103.2701 103.4047 103.4672 103.6476 103.8040 103.9352 104.0530 104.0660 104.2979 104.5158 104.5632 104.7944 104.9947 105.0552 105.1812 105.3918 105.4984 105.6008 105.6449 105.7903 105.8514 105.9192 106.0691 106.2813 106.4819 106.5581 106.6258 106.7494 106.9551 107.1019 107.3272 107.3471 107.5106 107.5663 107.6786 107.7745 108.0367 108.1958 108.2738 108.4819 108.5205 108.5897 108.6925 108.8020 108.9806 109.1013 109.1565 109.4250 109.5858 109.6272 109.7692 109.8905 109.9963 110.0652 110.2492 110.2905 110.7375 110.8135 110.9127 111.0727 111.2532 111.3580 111.4978 111.6612 111.7268 111.7426 111.8295 111.9097 112.0080 112.4029 112.5091 112.5829 112.6957 112.8703 112.9653 113.0422 113.2420 113.3160 113.7784 113.7833 113.9081 114.0507 114.3150 114.3766 114.3963 114.5131 114.6351 114.8337 114.9673 115.1279 115.2169 115.3330 115.3975 115.6282 115.6510 115.8524 115.9047 116.1479 116.1858 116.3093 116.4881 116.6361 116.6945 116.8819 117.0233 117.0889 117.2236 117.3047 117.3480 117.4183 117.5874 117.6715 117.7973 118.1293 118.1740 118.4014 118.4390 118.5131 118.6751 118.7173 118.9549 118.9794 119.0152 119.1380 119.2380 119.4087 119.4699 119.5057 119.5916 119.7554 119.7892 120.0144 120.1776 120.2369 120.3215 120.4260 120.5358 120.6374 120.7755 120.9388 121.1834 121.3249 121.4268 121.6082 121.7385 121.9119 122.0291 122.1621 122.5204 122.7854 122.9412 123.0709 123.1544 123.3403 123.3925 123.6925 123.8724 124.4554 124.5095 124.7485 125.1976 125.3829 125.5550 125.8819 126.1174 126.2316 126.4893 126.6514 126.7182 127.0449 127.0831 127.2138 127.2503 127.3750 127.4705 127.7691 127.7899 127.9300 128.0510 128.1414 128.5433 128.5962 128.8379 129.0311 129.1085 129.4970 129.7326 129.8958 130.1347 130.4387 130.5455 130.7712 130.8805 131.1148 131.2631 131.4132 131.5326 131.9089 131.9457 132.0083 132.1051 132.1463 132.2772 132.5246 132.6096 132.8375 133.0861 133.2324 133.5953 133.7093 134.1719 134.5033 134.5654 134.7786 135.0834 135.2412 135.5360 135.6089 135.9249 136.3336 136.4045 136.5790 136.8413 136.9142 137.2536 137.3262 137.6164 137.8436 137.8936 137.9137 138.3773 138.6573 138.8212 138.9309 139.1550 139.4629 139.7229 139.9922 140.0844 140.2515 140.4475 140.5245 140.7372 141.2051 141.4171 141.6401 141.8710 142.0124 142.5304 142.8825 143.0821 143.2436 143.5946 143.6716 143.7810 143.9156 143.9693 144.0242 144.3133 144.7984 144.9518 145.0253 145.2203 145.3015 146.3127 146.5311 146.7748 147.0949 147.2186 147.5592 147.6792 147.9060 147.9504 148.0461 148.2381 148.4044 148.7742 148.8273 148.9213 149.1814 149.2134 149.3858 149.5233 149.7760 149.9805 150.0518 150.3719 150.7027 150.7580 150.9472 151.1604 151.2702 151.5134 151.5741 151.9140 152.1036 152.2770 152.6680 152.9717 153.3216 153.5361 153.8537 154.1276 154.4380 154.6777 155.2028 155.4975 155.9039 155.9817 156.0445 156.0924 156.5207 156.7981 156.9812 157.1375 157.2559 157.3547 157.5073 157.5986 157.7208 158.1076 158.5203 158.9909 159.0440 159.2526 159.3762 159.7229 160.8551 161.0129 161.6927 162.2424 162.5961 162.7565 163.5364 164.2028 164.8523 167.8074 168.8386 169.5681 170.3731 171.6671 172.7666 174.2654 174.3867 176.4227 180.3382 180.9292 182.5824 186.3835 186.4855 186.7180 187.7502 188.8313 189.2126 189.4812 190.2535 190.3686 191.3661 192.5186 192.7985 194.0251 195.4758 196.0147 200.1072 202.1229 202.3596 205.9677 206.5223 207.5516 212.6365 229.8986 235.8818 241.1328 247.9889 248.8722 338.9989 619.1121 619.9668 623.3619 629.7504 630.4860 631.7407 632.4777 632.6885 634.4895 634.5502 634.9082 635.6201 637.0983 637.4243 637.7501 638.9112 639.1277 640.5593 643.0563 643.2963 645.7620 646.9184 653.9445 655.5850 658.3212 1212.9122 1214.9113 1563.1603 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 0.506057 -0.218115 -0.334607 -0.330813 -0.213695 -0.161325 -0.147516 -0.434062 -0.448335 -0.092345 -0.196669 -0.100589 0.056315 -0.241511 -0.253436 0.306551 -0.244079 -0.218583 0.229923 -0.166112 0.179515 0.043366 -0.255372 0.300876 -0.204511 -0.259310 -0.130667 -0.099190 -0.222785 0.091936 0.052491 0.083388 0.082176 0.104878 0.106292 0.109903 0.102586 0.105980 0.108370 0.092842 0.084792 0.138734 0.137766 0.139942 0.130004 0.145420 0.142057 0.148055 0.084608 0.107348 0.081034 0.087141 0.099609 0.180184 0.145067 0.148962 0.157118 0.152339 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 13.4939 9.2181 8.3346 8.3308 6.2137 6.1613 6.1475 6.4341 6.4483 6.0923 6.1967 6.1006 5.9437 6.2415 6.2534 5.6934 6.2441 6.2186 5.7701 6.1661 5.8205 5.9566 6.2554 5.6991 6.2045 6.2593 6.1307 6.0992 6.2228 0.9081 0.9475 0.9166 0.9178 0.8951 0.8937 0.8901 0.8974 0.8940 0.8916 0.9072 0.9152 0.8613 0.8622 0.8601 0.8700 0.8546 0.8579 0.8519 0.9154 0.8927 0.9190 0.9129 0.9004 0.8198 0.8549 0.8510 0.8429 0.8477 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 0.5061 -0.2181 -0.3346 -0.3308 -0.2137 -0.1613 -0.1475 -0.4341 -0.4483 -0.0923 -0.1967 -0.1006 0.0563 -0.2415 -0.2534 0.3066 -0.2441 -0.2186 0.2299 -0.1661 0.1795 0.0434 -0.2554 0.3009 -0.2045 -0.2593 -0.1307 -0.0992 -0.2228 0.0919 0.0525 0.0834 0.0822 0.1049 0.1063 0.1099 0.1026 0.1060 0.1084 0.0928 0.0848 0.1387 0.1378 0.1399 0.1300 0.1454 0.1421 0.1481 0.0846 0.1073 0.0810 0.0871 0.0996 0.1802 0.1451 0.1490 0.1571 0.1523 4.1013 1.0674 2.0716 2.0923 3.8062 3.9209 3.7202 3.8821 3.9256 3.8512 3.8752 3.8612 3.6038 3.8301 4.0188 3.7332 3.9136 3.9106 3.6563 3.8804 4.0677 3.8731 3.9107 3.7566 3.8390 4.0074 3.7804 3.8671 3.9527 1.0142 1.0335 1.0120 1.0006 1.0059 1.0071 1.0093 1.0091 1.0104 1.0078 1.0083 1.0108 0.9957 0.9893 1.0061 1.0158 1.0039 1.0019 0.9981 0.9945 0.9912 0.9984 1.0073 1.0119 0.9764 1.0081 1.0015 0.9877 0.9949 4.1013 1.0674 2.0716 2.0923 3.8062 3.9209 3.7202 3.8821 3.9256 3.8512 3.8752 3.8612 3.6038 3.8301 4.0188 3.7332 3.9136 3.9106 3.6563 3.8804 4.0677 3.8731 3.9107 3.7566 3.8390 4.0074 3.7804 3.8671 3.9527 1.0142 1.0335 1.0120 1.0006 1.0059 1.0071 1.0093 1.0091 1.0104 1.0078 1.0083 1.0108 0.9957 0.9893 1.0061 1.0158 1.0039 1.0019 0.9981 0.9945 0.9912 0.9984 1.0073 1.0119 0.9764 1.0081 1.0015 0.9877 0.9949 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.9518 1.0024 0.9464 0.9772 1.0661 1.0758 0.9029 0.9638 0.9590 0.9223 0.9709 0.9789 0.9295 1.0007 1.0152 1.3362 1.3105 0.9740 0.9768 0.9717 0.9745 0.9728 0.9746 0.8887 1.0113 1.0223 1.4113 0.9811 1.4837 0.9863 1.3366 1.3738 1.2795 0.9940 1.3492 0.9983 1.3509 0.9773 1.4082 0.9859 1.3849 1.4355 0.9842 0.9559 0.9936 0.9803 0.9825 0.9893 0.9863 1.3841 1.3889 1.3471 0.9411 1.4299 0.9853 1.4096 0.9813 1.4105 0.9808 0.9961 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 -0.033654680 -1510.100816025913 -15.36152 14.70320 -0.65833 20.50796 -20.22837 0.27959 -1.82933 1.62573 -0.20360 0.74365 1.89021