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:-3.8768,1.1525,.2437;3.1533,-.1448,-.6021;.8854,2.3127,3.7879;1.6356,-.6477,-2.8259;-3.3044,.1268,-1.2428;-3.1772,-1.3847,-1.0437;-2.4367,1.5119,1.4007;-5.2395,.2552,1.1823;-4.52,2.7956,-.4193;-2.183,-1.8342,.0248;-2.3948,1.0654,2.7187;-1.3312,2.2442,.9485;-.7583,-1.3772,-.1589;-1.3105,1.3133,3.5554;-.2428,2.5038,1.7584;-.2195,2.0304,3.0727;-.1845,-1.2524,-1.4227;.0338,-1.1012,.9519;1.1289,-.8398,-1.5724;1.3539,-.694,.818;1.8867,-.5567,-.4444;1.006,1.7965,5.1066;2.3601,2.1937,5.6396;2.7008,-1.3937,-3.2482;3.0705,-2.597,-2.662;3.3975,-.897,-4.3435;4.159,-3.2918,-3.1737;4.4771,-1.6059,-4.8452;4.8688,-2.8039,-4.2608;-4.0263,.3074,-2.0474;-2.3625,.5477,-1.6116;-2.9228,-1.857,-1.9978;-4.1535,-1.7968,-.7739;-6.0805,.0334,.5212;-4.9054,-.6933,1.6075;-5.6301,.8613,2.0028;-5.3767,2.652,-1.0819;-4.8383,3.4597,.3872;-3.7554,3.3251,-.9928;-2.5252,-1.5086,1.011;-2.1966,-2.9287,.0614;-3.2239,.4982,3.1269;-1.3062,2.6197,-.0693;-1.3362,.9382,4.5698;.6031,3.0653,1.3797;-.7583,-1.4639,-2.3172;-.3863,-1.1938,1.9457;1.9575,-.4672,1.6877;.9059,.7057,5.0967;.2116,2.1963,5.746;2.4777,1.8092,6.6528;3.1662,1.7817,5.0315;2.4744,3.2775,5.6794;2.5241,-3.0039,-1.8203;3.0949,.0404,-4.7937;4.4479,-4.2276,-2.7125;5.0186,-1.2128,-5.6961;5.716,-3.3519,-4.6513; 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 2885.4866024205 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 5.799e-06 Time for diagonalization 0.762 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.560 sec Total time needed 1.339 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:-3.8768,1.1525,.2437;3.1533,-.1448,-.6021;.8854,2.3127,3.7879;1.6356,-.6477,-2.8259;-3.3044,.1268,-1.2428;-3.1772,-1.3847,-1.0437;-2.4367,1.5119,1.4007;-5.2395,.2552,1.1823;-4.52,2.7956,-.4193;-2.183,-1.8342,.0248;-2.3948,1.0654,2.7187;-1.3312,2.2442,.9485;-.7583,-1.3772,-.1589;-1.3105,1.3133,3.5554;-.2428,2.5038,1.7584;-.2195,2.0304,3.0727;-.1845,-1.2524,-1.4227;.0338,-1.1012,.9519;1.1289,-.8398,-1.5724;1.3539,-.694,.818;1.8867,-.5567,-.4444;1.006,1.7965,5.1066;2.3601,2.1937,5.6396;2.7008,-1.3937,-3.2482;3.0705,-2.597,-2.662;3.3975,-.897,-4.3435;4.159,-3.2918,-3.1737;4.4771,-1.6059,-4.8452;4.8688,-2.8039,-4.2608;-4.0263,.3074,-2.0474;-2.3625,.5477,-1.6116;-2.9228,-1.857,-1.9978;-4.1535,-1.7968,-.7739;-6.0805,.0334,.5212;-4.9054,-.6933,1.6075;-5.6301,.8613,2.0028;-5.3767,2.652,-1.0819;-4.8383,3.4597,.3872;-3.7554,3.3251,-.9928;-2.5252,-1.5086,1.011;-2.1966,-2.9287,.0614;-3.2239,.4982,3.1269;-1.3062,2.6197,-.0693;-1.3362,.9382,4.5698;.6031,3.0653,1.3797;-.7583,-1.4639,-2.3172;-.3863,-1.1938,1.9457;1.9575,-.4672,1.6877;.9059,.7057,5.0967;.2116,2.1963,5.746;2.4777,1.8092,6.6528;3.1662,1.7817,5.0315;2.4744,3.2775,5.6794;2.5241,-3.0039,-1.8203;3.0949,.0404,-4.7937;4.4479,-4.2276,-2.7125;5.0185,-1.2128,-5.6961;5.716,-3.3519,-4.6513; 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:-3.8768,1.1525,.2437;3.1533,-.1448,-.6021;.8854,2.3127,3.7879;1.6356,-.6477,-2.8259;-3.3044,.1268,-1.2428;-3.1772,-1.3847,-1.0437;-2.4367,1.5119,1.4007;-5.2395,.2552,1.1823;-4.52,2.7956,-.4193;-2.183,-1.8342,.0248;-2.3948,1.0654,2.7187;-1.3312,2.2442,.9485;-.7583,-1.3772,-.1589;-1.3105,1.3133,3.5554;-.2428,2.5038,1.7584;-.2195,2.0304,3.0727;-.1845,-1.2524,-1.4227;.0338,-1.1012,.9519;1.1289,-.8398,-1.5724;1.3539,-.694,.818;1.8867,-.5567,-.4444;1.006,1.7965,5.1066;2.3601,2.1937,5.6396;2.7008,-1.3937,-3.2482;3.0705,-2.597,-2.662;3.3975,-.897,-4.3435;4.159,-3.2918,-3.1737;4.4771,-1.6059,-4.8452;4.8688,-2.8039,-4.2608;-4.0263,.3074,-2.0474;-2.3625,.5477,-1.6116;-2.9228,-1.857,-1.9978;-4.1535,-1.7968,-.7739;-6.0805,.0334,.5212;-4.9054,-.6933,1.6075;-5.6301,.8613,2.0028;-5.3767,2.652,-1.0819;-4.8383,3.4597,.3872;-3.7554,3.3251,-.9928;-2.5252,-1.5086,1.011;-2.1966,-2.9287,.0614;-3.2239,.4982,3.1269;-1.3062,2.6197,-.0693;-1.3362,.9382,4.5698;.6031,3.0653,1.3797;-.7583,-1.4639,-2.3172;-.3863,-1.1938,1.9457;1.9575,-.4672,1.6877;.9059,.7057,5.0967;.2116,2.1963,5.746;2.4777,1.8092,6.6528;3.1662,1.7817,5.0315;2.4744,3.2775,5.6794;2.5241,-3.0039,-1.8203;3.0949,.0404,-4.7937;4.4479,-4.2276,-2.7125;5.0186,-1.2128,-5.6961;5.716,-3.3519,-4.6513; 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 3385 GEPOL Volume 2919.3602 GEPOL Surface-area 1627.8896 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 1.5s) Overall time for CPCM initialization 1.7s -1510.06945419 2885.48660242 -4395.55605661 -7801.70272227 3406.14666566 -0.02401530 -3013.96842903 1503.89897485 2.00410299 109.000353243075 109.000353243075 218.000706486150 -135.230651605967 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 -1800.5939 -674.9361 -524.6791 -524.1710 -282.0139 -281.5711 -281.5524 -281.3731 -280.9314 -280.0009 -279.8865 -279.7965 -279.7949 -279.7839 -279.7152 -279.7113 -279.6986 -279.6857 -279.6654 -279.5608 -279.5321 -279.4932 -279.4535 -279.3686 -279.2143 -279.1090 -278.8095 -278.7154 -278.6523 -145.6548 -100.7206 -100.7076 -100.7002 -36.8137 -33.0043 -32.3742 -27.0525 -26.5760 -26.4109 -24.9229 -24.2796 -24.2091 -23.6310 -23.4881 -23.4392 -23.0347 -22.8058 -22.0291 -21.4751 -21.3355 -20.5536 -20.4291 -20.0628 -19.6700 -19.3744 -19.1430 -18.6954 -18.4116 -18.0309 -17.5254 -17.3022 -16.8834 -16.3817 -16.0751 -16.0329 -15.9765 -15.6528 -15.6234 -15.2022 -14.9882 -14.8515 -14.6991 -14.6793 -14.4927 -14.2494 -14.2251 -14.1620 -14.0199 -13.8346 -13.7180 -13.6911 -13.4786 -13.3891 -13.3251 -13.0112 -12.9357 -12.8880 -12.8309 -12.7591 -12.5159 -12.4116 -12.3430 -12.1851 -11.9792 -11.9172 -11.8588 -11.5254 -11.3454 -11.3014 -11.2255 -10.4694 -10.3239 -9.9006 -9.4502 -9.4356 -9.2552 -8.9631 -8.4823 -8.2611 1.3927 1.6408 1.6779 1.8274 1.9732 2.1109 3.0217 3.2153 3.5799 3.6954 3.8964 3.9820 4.0936 4.2390 4.4021 4.5467 4.5951 4.6760 4.7565 4.9141 4.9855 5.0455 5.1378 5.2648 5.3697 5.4212 5.5184 5.5760 5.6518 5.6951 5.7796 5.8422 5.9054 5.9706 6.1142 6.1650 6.2727 6.3309 6.4130 6.4803 6.5549 6.6168 6.7330 6.7570 6.9799 7.1071 7.2467 7.3038 7.3141 7.4484 7.6207 7.7016 7.8185 7.9291 7.9874 8.0609 8.1254 8.1970 8.3078 8.3298 8.4113 8.5202 8.6113 8.6180 8.7104 8.8252 8.9662 8.9939 9.0645 9.1278 9.3124 9.3760 9.4353 9.5801 9.7953 9.8373 9.9337 10.1044 10.2622 10.3571 10.4829 10.5407 10.5841 10.6274 10.6833 10.8907 11.0316 11.1396 11.3394 11.4010 11.4122 11.4809 11.6430 11.6780 11.7036 11.8378 11.9405 11.9867 12.1178 12.1343 12.3129 12.3445 12.3975 12.5306 12.6091 12.6710 12.8907 12.9403 13.0875 13.1848 13.2438 13.3306 13.4095 13.4136 13.4598 13.5839 13.5938 13.8529 13.9133 13.9706 14.0193 14.0305 14.0847 14.1251 14.1995 14.2492 14.3456 14.4208 14.4682 14.5109 14.5756 14.7267 14.8308 14.8485 14.8592 14.9585 14.9985 15.0836 15.1606 15.2097 15.2922 15.3516 15.4145 15.5155 15.6402 15.7077 15.8314 15.9541 16.0489 16.0664 16.1015 16.2290 16.2796 16.4552 16.4786 16.5245 16.6876 16.8061 16.8798 17.0050 17.1105 17.2981 17.4107 17.4437 17.5946 17.6633 17.8165 17.9653 18.1081 18.2438 18.3333 18.5717 18.5913 18.7669 18.8623 18.9804 19.0407 19.1402 19.2584 19.4240 19.4972 19.6808 19.8297 19.9040 19.9467 20.0221 20.1477 20.2733 20.4168 20.5682 20.6360 20.8402 20.8642 20.9962 21.0949 21.1665 21.3275 21.5067 21.5410 21.7238 21.8703 21.9959 22.1537 22.1838 22.2775 22.3551 22.4833 22.5173 22.5615 22.6811 22.8272 22.9178 23.0751 23.0947 23.2100 23.2362 23.5060 23.6412 23.7390 23.8715 24.0983 24.1917 24.3365 24.3916 24.4955 24.6055 24.7304 24.8158 24.9555 25.0381 25.1506 25.2136 25.3405 25.5155 25.6896 25.8408 25.8823 25.9922 26.1038 26.2835 26.3788 26.6015 26.7005 26.8329 26.8705 26.9127 26.9908 27.2049 27.2594 27.3658 27.4178 27.5614 27.7288 27.7535 28.0347 28.1100 28.1597 28.2986 28.5181 28.6001 28.7497 28.8592 29.0083 29.1065 29.1947 29.2926 29.5422 29.5857 29.6249 29.7179 29.8677 29.9427 30.0094 30.0956 30.2044 30.3382 30.4640 30.5902 30.6841 30.9563 31.0899 31.1294 31.1840 31.3476 31.4286 31.5719 31.6319 31.8840 31.9124 32.0765 32.2336 32.3313 32.4723 32.5052 32.6569 32.9079 33.0127 33.0678 33.1254 33.2186 33.3381 33.5366 33.6498 33.7615 33.8152 33.9171 34.0771 34.0859 34.1443 34.3758 34.4746 34.5685 34.7070 34.7939 34.8457 34.9558 35.0588 35.1326 35.2559 35.4815 35.5381 35.6823 35.9018 35.9533 36.0524 36.0686 36.2460 36.2910 36.5141 36.6916 36.7034 36.8743 36.9887 37.2137 37.4199 37.4807 37.6499 37.7369 37.8888 37.9681 38.0290 38.1000 38.2420 38.3937 38.4834 38.6265 38.6647 38.7767 38.8903 38.9995 39.0184 39.0468 39.2683 39.3580 39.5204 39.5726 39.7558 39.8013 39.8496 40.0276 40.1019 40.3656 40.4757 40.5925 40.6486 40.7383 40.8425 40.9399 41.0475 41.1111 41.2926 41.3524 41.5361 41.6409 41.6696 41.7717 41.8034 42.0682 42.1478 42.2668 42.3098 42.3663 42.4529 42.5160 42.7392 42.8607 42.9318 42.9837 43.0947 43.2162 43.3134 43.3696 43.5603 43.6477 43.7327 43.8543 43.9113 44.0351 44.1116 44.3507 44.4555 44.5369 44.6674 44.8639 45.0107 45.0640 45.1551 45.3535 45.4014 45.6016 45.6490 45.7590 45.8419 45.9463 45.9950 46.1577 46.2200 46.3242 46.4183 46.5128 46.5743 46.7040 46.9209 47.0468 47.3297 47.4508 47.5673 47.7391 47.8033 47.9363 48.0239 48.2447 48.4840 48.5629 48.7575 48.8629 48.9809 49.1521 49.3442 49.5505 49.6894 49.8063 49.9134 50.0177 50.1587 50.2984 50.6219 50.7028 50.8288 50.8708 50.9774 51.1682 51.5853 51.7374 51.8211 51.9801 52.4233 52.4518 52.6618 52.7795 52.8505 53.0568 53.2511 53.3972 53.5430 53.8560 54.1405 54.2703 54.6386 54.9060 55.0289 55.5206 55.5682 55.7084 55.7460 55.9635 56.0756 56.2634 56.5611 56.7561 56.9964 57.2620 57.3554 57.4304 57.5939 57.7611 57.8499 58.3155 58.3362 58.4980 58.5493 58.7400 59.0045 59.1299 59.5100 59.7211 59.8553 59.9031 60.3092 60.6588 60.8888 60.9681 61.1409 61.3840 61.7386 61.8121 61.9969 62.0666 62.2374 62.5069 62.5986 63.2006 63.2936 63.5363 63.6928 63.7847 64.2034 64.4452 64.6849 64.7826 64.9039 65.1212 65.4282 65.5917 65.7855 66.0510 66.1610 66.5913 66.6687 66.8332 67.2154 67.2273 67.4286 67.5207 67.7611 67.8796 68.1235 68.4859 68.6238 68.7588 69.0660 69.1780 69.4880 69.5914 69.7070 69.9953 70.4944 70.6938 70.9375 71.3052 71.4596 71.8412 72.0244 72.0856 72.3137 72.7247 72.8797 72.9230 73.1415 73.3392 73.4532 73.6010 73.9320 74.0800 74.3125 74.4473 74.5919 74.7589 74.9021 75.0500 75.3299 75.5980 75.7251 75.8559 76.0583 76.1666 76.2917 76.4435 76.6895 76.8075 77.0050 77.2696 77.4139 77.5204 77.5462 77.7540 77.9005 78.0067 78.1966 78.2881 78.3569 78.4278 78.7139 78.8629 78.9138 79.0314 79.1213 79.1961 79.3007 79.3549 79.5462 79.5667 79.6277 79.7662 79.8144 79.9171 79.9240 80.1035 80.2634 80.3968 80.4743 80.5778 80.6391 80.7734 81.1598 81.2633 81.3919 81.4664 81.5710 81.7878 81.8314 82.0960 82.1337 82.1417 82.2132 82.2603 82.4810 82.6991 82.7831 82.9906 83.1736 83.2788 83.3772 83.4919 83.6866 83.8284 83.8931 84.1525 84.2154 84.3368 84.5310 84.6384 84.6751 84.7703 84.8479 84.8961 84.9502 85.0843 85.1408 85.1753 85.2991 85.3168 85.5491 85.5919 85.6210 85.8065 85.9002 86.0184 86.0536 86.0783 86.2422 86.3068 86.4037 86.6885 86.7987 86.8619 87.0143 87.1737 87.2398 87.3909 87.5066 87.6399 87.6806 87.7928 87.8420 88.1061 88.1632 88.2020 88.2655 88.3782 88.5456 88.6197 88.6371 88.7607 88.8922 89.0232 89.1363 89.2672 89.3865 89.4478 89.5253 89.6033 89.6813 89.7572 89.8109 89.9349 90.0204 90.1709 90.2212 90.3231 90.6044 90.6625 90.7105 90.7845 90.9790 91.1084 91.2072 91.3211 91.4349 91.5087 91.6882 91.7984 91.9338 92.1769 92.3952 92.6435 92.7350 92.7528 92.8514 92.8976 93.0199 93.1331 93.2891 93.3047 93.4335 93.4751 93.6252 93.6488 93.7883 93.7995 93.9348 94.1345 94.2619 94.3449 94.4432 94.7011 94.7382 94.8109 94.9618 95.2401 95.3021 95.3500 95.4148 95.6261 95.7397 95.7891 95.8433 95.9259 96.0819 96.1286 96.1685 96.4163 96.6192 96.6980 96.8738 96.8895 96.9857 97.0371 97.2758 97.3537 97.4648 97.5902 97.8366 97.9513 98.0251 98.1129 98.1871 98.2574 98.3319 98.6081 98.7260 98.7593 98.8666 99.0057 99.0481 99.2464 99.3589 99.4626 99.5433 99.6850 99.9061 100.0378 100.0846 100.2139 100.2791 100.5023 100.6519 100.7841 101.0490 101.1873 101.2147 101.4335 101.4861 101.5258 101.7733 101.9265 102.0006 102.2020 102.2608 102.4932 102.7044 102.8153 102.9479 103.0719 103.2415 103.3342 103.5880 103.9050 103.9997 104.0879 104.2618 104.3403 104.5140 104.5567 104.8934 104.9311 105.0311 105.1708 105.2673 105.4150 105.4818 105.5588 105.6479 105.7606 105.8545 105.9446 106.0515 106.1636 106.4540 106.5791 106.5907 106.8628 106.9548 107.0140 107.1493 107.1985 107.3008 107.3660 107.5219 107.6965 107.7646 107.9584 108.0147 108.2138 108.3945 108.4142 108.5400 108.7310 108.9719 109.2772 109.3451 109.3848 109.6178 109.6237 109.7651 109.8330 109.9072 109.9731 110.2000 110.4234 110.7113 110.7723 110.9570 111.0161 111.1634 111.3499 111.3814 111.6267 111.6464 111.7044 112.1229 112.2448 112.3359 112.4226 112.6550 112.7727 113.0644 113.1865 113.4125 113.5197 113.6193 113.7258 113.7927 113.8815 114.0098 114.1614 114.2901 114.4114 114.4579 114.6075 114.6509 114.7640 114.8518 115.0581 115.2227 115.2555 115.3351 115.4968 115.6412 115.9195 116.0240 116.1743 116.1870 116.3711 116.3874 116.4782 116.5472 116.5885 116.8387 116.9974 117.1299 117.3465 117.6081 117.7037 117.7786 117.9087 118.0268 118.1642 118.2779 118.4325 118.5371 118.6387 118.7315 118.8239 118.9016 118.9385 119.0592 119.3480 119.4149 119.4484 119.5738 119.6637 119.8607 119.9176 120.0498 120.0865 120.1439 120.2210 120.2878 120.4294 120.4706 120.5893 120.8752 121.1050 121.2534 121.3370 121.4646 121.6889 121.7883 122.0667 122.1586 122.2312 122.2476 122.4730 122.6900 122.7898 122.9979 123.2969 123.6479 123.7484 123.7736 124.2082 124.4869 124.8167 125.3760 125.4827 125.7320 125.9475 126.0626 126.1271 126.4965 126.8024 127.0387 127.1381 127.2780 127.3675 127.4223 127.4377 127.5967 127.7851 127.8831 128.1028 128.1760 128.4880 128.7055 129.0200 129.1909 129.4377 129.5120 129.6727 129.7681 129.9265 130.2944 130.3865 130.4966 130.6409 130.9030 131.1834 131.4005 131.4735 131.6732 131.8663 131.8785 132.0344 132.2290 132.6085 132.7493 132.7841 133.2213 133.2632 133.4570 133.5951 133.8678 134.0996 134.1800 134.2821 134.4515 134.8917 135.0480 135.1953 135.3078 135.4861 135.6691 136.1454 136.5413 136.5868 136.7253 136.8240 136.9780 137.5778 137.7104 138.0347 138.2732 138.4846 138.5156 138.5626 138.6941 138.8017 139.2083 139.6518 139.7343 139.8839 140.0757 140.1685 140.4867 140.5833 141.1489 141.2264 141.9425 142.0854 142.4278 142.7035 142.9862 143.2120 143.2745 143.5288 143.5705 143.9596 143.9738 144.1410 144.3245 144.3467 144.4535 144.6633 144.8060 145.0698 145.4772 146.1432 146.3536 146.4834 146.6423 146.9055 147.3021 147.6108 147.8637 148.1666 148.2178 148.3086 148.3347 148.4971 148.5697 148.7210 148.9949 149.1702 149.3323 149.4911 149.7101 149.8569 149.9472 150.1407 150.3175 150.4126 150.7814 151.0005 151.1695 151.6828 151.8546 152.1152 152.2861 152.3423 152.9967 153.2637 153.3418 153.4813 153.8826 154.0624 154.2095 154.4513 155.0180 155.1288 155.2844 155.9569 156.1376 156.3285 156.4629 156.6302 156.6982 157.0627 157.2548 157.4572 157.6940 157.7313 157.8842 157.9546 158.3911 158.4102 159.1202 159.3497 159.4772 159.8293 160.1989 160.7291 161.6334 161.9257 162.7580 163.6177 164.0181 164.4610 165.4015 168.2256 168.7944 169.5198 170.5963 171.2637 171.8775 174.1210 174.9659 177.0046 179.6651 180.2464 182.8713 185.7313 186.5826 187.7670 188.5766 188.7600 188.8932 189.5877 190.1800 190.2645 191.4049 192.6118 192.8324 192.9589 195.2351 196.2701 199.7740 201.3229 203.4768 206.1869 206.8992 207.6097 212.4221 230.3276 236.0484 241.2866 248.2279 249.2106 338.7962 617.8494 618.9500 624.4363 629.8566 630.4976 631.6466 632.6465 633.0588 634.1842 634.7313 635.2205 635.8216 636.7759 637.2876 637.8800 638.2530 639.7005 642.8359 643.5110 643.9149 646.1990 646.5593 654.3427 655.7689 657.9837 1214.1295 1215.2565 1564.8779 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 0.484024 -0.217900 -0.326793 -0.325694 -0.270303 -0.148989 -0.118046 -0.439510 -0.451816 -0.078687 -0.159662 -0.100327 0.048767 -0.253386 -0.318382 0.365186 -0.244487 -0.200035 0.155351 -0.189048 0.267614 0.059538 -0.273711 0.288739 -0.179195 -0.249609 -0.162318 -0.122654 -0.188897 0.095597 0.084003 0.086994 0.091346 0.113359 0.102653 0.111760 0.101145 0.099808 0.099661 0.078136 0.098574 0.143878 0.131520 0.134915 0.129921 0.132649 0.147056 0.146016 0.092234 0.096719 0.089045 0.087284 0.087283 0.151804 0.143943 0.158626 0.156768 0.157536 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 13.5160 9.2179 8.3268 8.3257 6.2703 6.1490 6.1180 6.4395 6.4518 6.0787 6.1597 6.1003 5.9512 6.2534 6.3184 5.6348 6.2445 6.2000 5.8446 6.1890 5.7324 5.9405 6.2737 5.7113 6.1792 6.2496 6.1623 6.1227 6.1889 0.9044 0.9160 0.9130 0.9087 0.8866 0.8973 0.8882 0.8989 0.9002 0.9003 0.9219 0.9014 0.8561 0.8685 0.8651 0.8701 0.8674 0.8529 0.8540 0.9078 0.9033 0.9110 0.9127 0.9127 0.8482 0.8561 0.8414 0.8432 0.8425 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 0.4840 -0.2179 -0.3268 -0.3257 -0.2703 -0.1490 -0.1180 -0.4395 -0.4518 -0.0787 -0.1597 -0.1003 0.0488 -0.2534 -0.3184 0.3652 -0.2445 -0.2000 0.1554 -0.1890 0.2676 0.0595 -0.2737 0.2887 -0.1792 -0.2496 -0.1623 -0.1227 -0.1889 0.0956 0.0840 0.0870 0.0913 0.1134 0.1027 0.1118 0.1011 0.0998 0.0997 0.0781 0.0986 0.1439 0.1315 0.1349 0.1299 0.1326 0.1471 0.1460 0.0922 0.0967 0.0890 0.0873 0.0873 0.1518 0.1439 0.1586 0.1568 0.1575 4.1028 1.0686 2.0695 2.0743 3.8427 3.8981 3.6787 3.9138 3.9034 3.8196 3.8599 3.8237 3.6130 3.8647 4.0080 3.6825 3.9561 3.8777 3.7656 3.8788 3.9696 3.7961 3.9764 3.6861 3.8703 3.9942 3.9154 3.8986 3.9040 1.0092 1.0129 1.0001 0.9984 1.0082 1.0067 1.0090 1.0111 1.0102 1.0109 1.0086 1.0031 0.9894 0.9937 1.0133 1.0162 1.0173 0.9954 1.0019 0.9863 0.9867 1.0058 1.0033 1.0034 1.0037 1.0097 0.9909 0.9893 0.9906 4.1028 1.0686 2.0695 2.0743 3.8427 3.8981 3.6787 3.9138 3.9034 3.8196 3.8599 3.8237 3.6130 3.8647 4.0080 3.6825 3.9561 3.8777 3.7656 3.8788 3.9696 3.7961 3.9764 3.6861 3.8703 3.9942 3.9154 3.8986 3.9040 1.0092 1.0129 1.0001 0.9984 1.0082 1.0067 1.0090 1.0111 1.0102 1.0109 1.0086 1.0031 0.9894 0.9937 1.0133 1.0162 1.0173 0.9954 1.0019 0.9863 0.9867 1.0058 1.0033 1.0034 1.0037 1.0097 0.9909 0.9893 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 0.9498 0.9878 0.9747 0.9581 1.0290 1.0928 0.8797 0.9155 0.9751 0.9214 0.9781 0.9826 0.9170 1.0069 1.0068 1.3170 1.2868 0.9729 0.9729 0.9763 0.9759 0.9769 0.9771 0.9208 1.0199 0.9759 1.4338 0.9850 1.4668 1.0011 1.3352 1.3427 1.2959 0.9826 1.3064 1.0141 1.4251 0.9808 1.3913 0.9897 1.3680 1.4268 0.9959 0.9675 0.9739 0.9741 0.9907 0.9940 0.9940 1.3344 1.3615 1.4100 0.9680 1.4550 0.9849 1.4287 0.9759 1.3952 0.9804 0.9825 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 -0.031528885 -1510.100983072348 -24.78310 23.90997 -0.87312 3.26002 -4.23522 -0.97520 15.06913 -13.84024 1.22889 1.79542 4.56360