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:-1.1808,.6094,1.9985;-.1704,-6.0209,-1.3527;-.9732,6.5778,1.012;1.6317,-4.1326,-1.9089;-2.0025,-.2454,.5243;-1.4105,.1487,-.8272;-1.0794,2.4671,1.7095;.5663,-.0744,2.1759;-2.1903,.2727,3.5506;-1.9009,-.7122,-1.9971;-2.1018,3.3353,2.1114;.0088,3.0447,1.0563;-1.4686,-2.146,-1.8691;-2.0455,4.6959,1.8712;.0892,4.4094,.8023;-.9463,5.2469,1.2091;-.1172,-2.4663,-1.9756;-2.3748,-3.1654,-1.5971;.3253,-3.766,-1.7908;-1.9473,-4.4769,-1.4327;-.603,-4.763,-1.5213;.1131,7.2012,.3392;-.1884,8.6754,.2329;2.6081,-3.362,-1.3364;2.4245,-2.6886,-.1346;3.8301,-3.3175,-1.993;3.4766,-1.9568,.3978;4.8759,-2.5917,-1.4416;4.7033,-1.9012,-.2499;-1.9021,-1.3255,.685;-3.0792,-.0435,.5295;-.3168,.0997,-.7966;-1.6538,1.193,-1.0403;1.1551,.0734,1.2683;1.1092,.3979,2.9973;.5399,-1.1482,2.3757;-2.2397,-.7985,3.7597;-1.7606,.7569,4.4301;-3.2191,.6258,3.4524;-2.9907,-.6588,-2.0598;-1.5127,-.2942,-2.9303;-2.9716,2.9483,2.6309;.8372,2.4266,.7279;-2.8512,5.3441,2.1952;.9613,4.7959,.292;.6036,-1.6876,-2.199;-3.4301,-2.9392,-1.5104;-2.6533,-5.2701,-1.2218;.2423,6.7667,-.6578;1.0442,7.0408,.8932;.6331,9.1761,-.2798;-1.0986,8.8586,-.3391;-.2972,9.1355,1.2157;1.4781,-2.7295,.3902;3.9601,-3.8508,-2.9264;3.3315,-1.4307,1.3329;5.8277,-2.5603,-1.956;5.518,-1.3279,.1725; 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 2768.2744937944 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 6.940e-06 Time for diagonalization 0.487 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.508 sec Total time needed 1.011 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:-1.1808,.6094,1.9985;-.1704,-6.0209,-1.3527;-.9733,6.5778,1.012;1.6317,-4.1326,-1.9089;-2.0025,-.2454,.5243;-1.4105,.1487,-.8272;-1.0794,2.4671,1.7095;.5663,-.0744,2.1759;-2.1903,.2727,3.5506;-1.9009,-.7122,-1.9971;-2.1018,3.3353,2.1114;.0088,3.0447,1.0563;-1.4686,-2.146,-1.8691;-2.0455,4.6959,1.8712;.0892,4.4094,.8023;-.9463,5.2469,1.2091;-.1172,-2.4663,-1.9757;-2.3748,-3.1654,-1.5971;.3253,-3.766,-1.7908;-1.9473,-4.4769,-1.4327;-.603,-4.763,-1.5213;.1131,7.2012,.3392;-.1884,8.6754,.2329;2.6081,-3.362,-1.3364;2.4245,-2.6886,-.1346;3.8301,-3.3175,-1.993;3.4766,-1.9568,.3978;4.8759,-2.5917,-1.4416;4.7033,-1.9012,-.2499;-1.9021,-1.3255,.685;-3.0792,-.0435,.5295;-.3168,.0997,-.7966;-1.6538,1.193,-1.0403;1.1551,.0734,1.2683;1.1092,.3979,2.9973;.5399,-1.1482,2.3757;-2.2397,-.7985,3.7597;-1.7606,.7569,4.4301;-3.2191,.6258,3.4524;-2.9907,-.6588,-2.0598;-1.5127,-.2942,-2.9303;-2.9716,2.9483,2.6309;.8372,2.4266,.7279;-2.8512,5.3441,2.1952;.9613,4.7959,.292;.6036,-1.6876,-2.199;-3.4301,-2.9392,-1.5104;-2.6533,-5.2701,-1.2218;.2423,6.7667,-.6578;1.0442,7.0408,.8932;.6331,9.1761,-.2798;-1.0986,8.8586,-.3391;-.2972,9.1355,1.2157;1.4781,-2.7295,.3902;3.9601,-3.8508,-2.9264;3.3315,-1.4307,1.3329;5.8277,-2.5603,-1.956;5.518,-1.3279,.1725; 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:-1.1808,.6094,1.9985;-.1704,-6.0209,-1.3527;-.9732,6.5778,1.012;1.6317,-4.1326,-1.9089;-2.0025,-.2454,.5243;-1.4105,.1487,-.8272;-1.0794,2.4671,1.7095;.5663,-.0744,2.1759;-2.1903,.2727,3.5506;-1.9009,-.7122,-1.9971;-2.1018,3.3353,2.1114;.0088,3.0447,1.0563;-1.4686,-2.146,-1.8691;-2.0455,4.6959,1.8712;.0892,4.4094,.8023;-.9463,5.2469,1.2091;-.1172,-2.4663,-1.9756;-2.3748,-3.1654,-1.5971;.3253,-3.766,-1.7908;-1.9473,-4.4769,-1.4327;-.603,-4.763,-1.5213;.1131,7.2012,.3392;-.1884,8.6754,.2329;2.6081,-3.362,-1.3364;2.4245,-2.6886,-.1346;3.8301,-3.3175,-1.993;3.4766,-1.9568,.3978;4.8759,-2.5917,-1.4416;4.7033,-1.9012,-.2499;-1.9021,-1.3255,.685;-3.0792,-.0435,.5295;-.3168,.0997,-.7966;-1.6538,1.193,-1.0403;1.1551,.0734,1.2683;1.1092,.3979,2.9973;.5399,-1.1482,2.3757;-2.2397,-.7985,3.7597;-1.7606,.7569,4.4301;-3.2191,.6258,3.4524;-2.9907,-.6588,-2.0598;-1.5127,-.2942,-2.9303;-2.9716,2.9483,2.6309;.8372,2.4266,.7279;-2.8512,5.3441,2.1952;.9613,4.7959,.292;.6036,-1.6876,-2.199;-3.4301,-2.9392,-1.5104;-2.6533,-5.2701,-1.2218;.2423,6.7667,-.6578;1.0442,7.0408,.8932;.6331,9.1761,-.2798;-1.0986,8.8586,-.3391;-.2972,9.1355,1.2157;1.4781,-2.7295,.3902;3.9601,-3.8508,-2.9264;3.3315,-1.4307,1.3329;5.8277,-2.5603,-1.956;5.518,-1.3279,.1725; 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 3403 GEPOL Volume 2938.2442 GEPOL Surface-area 1665.7833 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -1510.07130188 2768.27449379 -4278.34579567 -7566.30428537 3287.95848969 -0.02369883 -3013.97692129 1503.90561941 2.00409978 109.000208474421 109.000208474421 218.000416948843 -135.228427699619 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 -1800.5962 -674.8745 -524.7054 -524.1771 -281.9828 -281.6230 -281.5801 -281.3929 -280.9329 -279.9752 -279.8932 -279.8260 -279.8165 -279.7919 -279.7665 -279.7204 -279.7198 -279.7164 -279.7076 -279.6235 -279.5463 -279.5057 -279.4123 -279.3724 -279.2169 -279.1358 -278.7895 -278.6935 -278.6901 -145.6569 -100.7238 -100.7085 -100.7028 -36.7566 -33.0457 -32.3807 -27.0552 -26.6202 -26.4283 -24.9573 -24.2917 -24.1728 -23.6706 -23.5317 -23.4758 -23.0630 -22.8029 -22.0513 -21.3809 -21.3561 -20.6959 -20.4366 -19.9642 -19.6309 -19.3610 -19.0716 -18.7028 -18.4789 -17.9904 -17.5458 -17.5195 -16.8107 -16.3734 -16.1667 -16.0950 -15.9758 -15.6304 -15.6210 -15.3161 -14.8925 -14.8170 -14.7572 -14.6236 -14.5546 -14.3024 -14.2726 -14.0270 -13.9864 -13.7962 -13.7335 -13.5900 -13.4817 -13.3713 -13.3126 -13.2199 -12.9601 -12.9243 -12.8990 -12.6638 -12.5342 -12.4644 -12.3301 -12.2074 -12.1768 -12.0543 -11.6959 -11.4356 -11.3005 -11.2774 -11.2568 -10.4661 -10.3598 -9.9831 -9.5968 -9.4010 -9.3363 -8.9162 -8.4242 -8.3091 1.3065 1.5971 1.6666 1.8463 1.9379 2.1816 2.9772 3.4954 3.5533 3.6956 3.7752 3.9659 4.1634 4.2347 4.2978 4.4798 4.5778 4.6520 4.7474 4.9556 4.9779 5.0942 5.1201 5.1993 5.2678 5.3905 5.4850 5.5068 5.6451 5.6937 5.6990 5.8764 5.9588 5.9962 6.1398 6.1451 6.2009 6.3045 6.3684 6.4341 6.5582 6.7439 6.7685 6.9158 6.9204 7.0263 7.0511 7.2587 7.3310 7.3735 7.5706 7.6808 7.7346 7.8004 8.0102 8.0297 8.1270 8.1801 8.3431 8.3644 8.4322 8.4887 8.6404 8.6937 8.7502 8.8218 8.9670 8.9901 9.1230 9.2161 9.3260 9.4677 9.6024 9.7187 9.8331 9.9675 9.9892 10.0570 10.2083 10.2232 10.3249 10.3679 10.4514 10.6340 10.7659 10.7884 10.8775 10.9835 11.0087 11.1585 11.3193 11.4897 11.5542 11.5675 11.6305 11.7247 11.8087 11.9144 11.9808 12.0829 12.1612 12.2252 12.3235 12.3507 12.5016 12.5687 12.7783 12.8798 12.9265 13.0246 13.0315 13.1125 13.2006 13.3698 13.4247 13.5201 13.5613 13.6601 13.6914 13.7610 13.8115 13.8509 13.9559 14.0724 14.0992 14.1658 14.2307 14.2726 14.3569 14.4328 14.5595 14.5931 14.6674 14.7419 14.8063 14.9204 14.9450 15.0661 15.1475 15.2429 15.2883 15.3606 15.4620 15.4980 15.5863 15.6147 15.7646 15.8505 15.8897 15.9384 16.0200 16.0729 16.1818 16.2639 16.3015 16.4011 16.5596 16.6164 16.8095 16.8924 16.9890 17.1299 17.2620 17.2955 17.4280 17.5901 17.7953 17.9739 18.0132 18.2425 18.2842 18.3151 18.4879 18.6560 18.7699 18.8414 19.0226 19.0988 19.1403 19.2741 19.4946 19.6353 19.8615 19.8678 19.9592 20.0259 20.0811 20.1742 20.2560 20.3082 20.3803 20.5331 20.6186 20.6705 20.7778 20.9944 21.0864 21.2827 21.3576 21.4015 21.6229 21.7399 21.7959 21.8384 21.9064 21.9847 22.1928 22.2839 22.3367 22.5152 22.6637 22.7687 22.8844 23.1979 23.2176 23.2769 23.3826 23.5291 23.6529 23.7703 23.9261 24.0073 24.0491 24.1965 24.3735 24.5489 24.6397 24.7277 24.8598 24.9471 25.0649 25.1380 25.2298 25.2992 25.4919 25.5694 25.6383 25.7494 25.8463 26.0111 26.2667 26.4196 26.5118 26.5421 26.6878 26.8542 26.9512 27.0354 27.0911 27.1132 27.2731 27.4181 27.5227 27.7219 27.8259 27.8882 27.9313 28.0858 28.1490 28.3466 28.4708 28.5111 28.7099 28.9276 29.0454 29.0862 29.2591 29.3571 29.5449 29.6463 29.7202 29.7789 29.8817 29.9746 30.0061 30.0990 30.1513 30.2985 30.3762 30.5612 30.6951 30.7568 30.8918 31.0126 31.1790 31.2977 31.4225 31.4474 31.5866 31.7681 31.9667 32.0144 32.1666 32.2521 32.3623 32.4362 32.5275 32.6495 32.7883 32.9760 33.0892 33.1531 33.3206 33.3677 33.4581 33.5154 33.7487 33.8790 34.1558 34.2234 34.2621 34.3218 34.4583 34.4877 34.6546 34.7248 34.7869 34.9043 34.9556 35.1914 35.4669 35.5991 35.6256 35.7034 35.8184 36.0841 36.1420 36.1502 36.3596 36.4898 36.5811 36.7049 36.8953 37.0608 37.2340 37.3019 37.4438 37.5919 37.7301 37.8100 37.8441 37.9828 38.0830 38.1203 38.3326 38.4106 38.4629 38.5684 38.6500 38.7062 38.8630 38.9433 39.0004 39.1745 39.2223 39.3004 39.3893 39.4592 39.4755 39.6913 39.8638 40.0191 40.2001 40.2907 40.4133 40.5267 40.6747 40.7649 40.8330 41.0136 41.1331 41.1405 41.3138 41.3392 41.4707 41.5143 41.6315 41.8273 41.9884 42.0373 42.2151 42.2417 42.3771 42.4619 42.5523 42.6901 42.7272 42.8254 42.9709 43.1227 43.2891 43.3319 43.4256 43.5399 43.7722 43.8538 43.9169 44.0468 44.0649 44.2277 44.3574 44.3896 44.4319 44.4675 44.5619 44.6361 44.8157 44.9097 44.9250 45.1401 45.2866 45.4063 45.4388 45.6190 45.6767 45.8718 46.0174 46.0736 46.1814 46.2931 46.5362 46.6729 46.7556 46.9152 46.9389 47.2042 47.2211 47.4896 47.6262 47.7683 47.7975 47.9360 48.0336 48.1751 48.2493 48.4818 48.7524 48.8756 49.0918 49.1718 49.2804 49.4340 49.4791 49.5226 49.7446 50.0929 50.1814 50.2864 50.4031 50.5532 50.6931 51.1288 51.2772 51.4729 51.7122 51.7626 51.9129 52.1122 52.4027 52.5425 52.6492 52.7761 52.9168 52.9808 53.1478 53.2526 53.5708 53.8159 53.9147 54.2355 54.3679 54.8719 55.1270 55.2009 55.3954 55.4954 55.5807 56.1853 56.3182 56.4788 56.5432 56.7374 57.0770 57.2249 57.3481 57.4870 57.5983 57.7788 57.9163 58.1928 58.3443 58.4938 58.8460 58.9443 59.1369 59.2583 59.4721 59.5820 59.7558 59.9034 60.0377 60.1056 60.5842 60.8332 61.0478 61.4231 61.4708 61.8027 61.9388 62.1213 62.5049 62.6843 62.9212 63.0760 63.4551 63.5947 63.7624 63.9780 64.2621 64.3529 64.7102 64.8049 64.9991 65.2005 65.3934 65.6022 65.6910 66.1172 66.3962 66.6115 67.1296 67.2880 67.4138 67.6300 67.7135 67.8068 68.0227 68.1489 68.2531 68.3813 68.9447 69.0160 69.2148 69.3427 69.5350 70.0853 70.2744 70.6686 70.7578 71.2608 71.3545 71.5261 71.7488 71.9965 72.1581 72.4187 72.6165 72.8549 73.0553 73.2150 73.4410 73.5376 73.6636 73.8643 74.0963 74.3695 74.5676 74.8357 75.0758 75.1972 75.2694 75.5428 75.7505 75.8285 75.9424 76.0463 76.2698 76.3730 76.5439 76.8707 76.9441 77.1038 77.1583 77.2375 77.3931 77.5961 77.7626 77.8280 77.9787 78.0491 78.2977 78.3499 78.5481 78.6650 78.7951 79.0196 79.0929 79.1940 79.2341 79.2907 79.4172 79.4850 79.6808 79.7920 79.8576 79.9597 80.0054 80.0370 80.1561 80.2215 80.3969 80.4265 80.6158 80.8916 81.0393 81.1737 81.2158 81.3279 81.3992 81.5555 81.6310 81.8106 81.9021 81.9763 82.0699 82.1076 82.2518 82.4072 82.5238 82.6742 82.8754 82.9938 83.1502 83.3561 83.5250 83.5676 83.7060 83.7286 83.9356 84.0087 84.0804 84.2728 84.3103 84.3644 84.3995 84.6535 84.7300 84.8759 84.9410 85.0550 85.1942 85.2740 85.2877 85.4140 85.5687 85.6107 85.6297 85.7344 85.8729 85.9278 86.0220 86.0856 86.2208 86.2703 86.4438 86.5369 86.7694 86.8238 86.9693 87.0891 87.2039 87.2498 87.5506 87.6076 87.6594 87.7524 87.8872 87.9517 88.1031 88.2268 88.2501 88.3677 88.5021 88.5829 88.7140 88.7552 88.9196 89.0423 89.1559 89.2274 89.3518 89.4236 89.4717 89.6384 89.6769 89.7187 89.8069 89.9313 90.0171 90.1660 90.2528 90.4698 90.5044 90.6031 90.7122 90.7713 90.8313 90.8901 91.1371 91.2768 91.4718 91.6512 91.8399 91.9099 91.9689 92.2071 92.3137 92.4855 92.6729 92.7354 92.7921 92.9998 93.0403 93.2165 93.2261 93.3226 93.4614 93.5262 93.5732 93.6913 93.7061 93.8563 93.9562 94.2286 94.3409 94.4323 94.6848 94.7327 94.8142 94.9328 95.0019 95.0762 95.1782 95.2760 95.4084 95.5539 95.5719 95.6585 95.7407 96.0456 96.0981 96.2374 96.3253 96.6311 96.6686 96.7749 96.9216 97.0034 97.1745 97.2370 97.3170 97.5201 97.6803 97.8186 97.9150 97.9995 98.0501 98.1570 98.2711 98.4455 98.5567 98.6928 98.8348 98.8725 98.8985 99.0344 99.1916 99.2594 99.5500 99.5546 99.7078 99.7867 99.8570 100.0048 100.2647 100.2838 100.4438 100.6903 100.7635 100.8311 100.9671 101.1231 101.2720 101.4636 101.5078 101.7683 101.8913 101.9751 102.0311 102.1978 102.5586 102.7051 102.9010 103.1426 103.3178 103.3618 103.4989 103.7034 103.8232 103.8874 104.1505 104.2681 104.4405 104.5427 104.6458 104.8814 104.9460 105.1695 105.3374 105.3457 105.4793 105.5028 105.5345 105.7002 105.7522 106.0221 106.1656 106.2327 106.3733 106.5441 106.6450 106.7578 106.8975 106.9206 107.0454 107.1713 107.2275 107.3147 107.5027 107.6801 107.6960 107.7119 107.8222 107.9759 108.2389 108.3272 108.3872 108.6500 108.8173 108.9991 109.1486 109.2699 109.3923 109.5270 109.5755 109.7028 109.8985 110.0469 110.2985 110.5156 110.5465 110.6137 110.7574 110.9741 111.0439 111.1040 111.2563 111.3569 111.4356 111.7037 111.8768 111.8970 112.0556 112.2247 112.2670 112.4993 112.7794 112.8481 113.0773 113.2643 113.2800 113.3593 113.5932 113.6481 113.8070 114.0611 114.1549 114.1979 114.2768 114.4785 114.5114 114.6112 114.7662 114.8743 115.0314 115.1832 115.3408 115.4284 115.6155 115.6292 115.8121 115.9100 115.9608 116.0619 116.1585 116.3245 116.3576 116.5658 116.7402 117.0116 117.1213 117.2075 117.4033 117.5302 117.6248 117.7257 117.8368 118.0094 118.1262 118.2728 118.4041 118.4274 118.4622 118.6331 118.6928 118.8611 119.0799 119.1414 119.1842 119.3276 119.3452 119.4158 119.4357 119.7483 119.8526 119.9421 120.1041 120.1852 120.3568 120.4453 120.5355 120.5614 120.6377 120.7570 120.8833 121.0673 121.2512 121.3864 121.4684 121.6193 122.0035 122.1589 122.2120 122.3815 122.5282 122.6858 122.9731 123.0641 123.3143 123.5394 123.8322 124.0260 124.3547 124.6719 124.8931 125.2655 125.6892 125.8988 126.1766 126.5031 126.6304 126.7028 126.7413 126.8981 127.0113 127.2109 127.3124 127.3387 127.4236 127.6721 128.0066 128.0907 128.1884 128.4906 128.6018 128.7875 129.1017 129.2347 129.3774 129.4509 129.6192 129.7112 130.1855 130.3141 130.6211 130.6835 130.8380 131.0522 131.2830 131.4959 131.5572 131.6357 131.9267 131.9421 132.0033 132.2693 132.4997 132.7187 132.8919 132.9557 133.1274 133.8657 134.0231 134.1166 134.3107 134.3692 134.5780 134.7538 135.2608 135.3570 135.4977 135.7311 136.0145 136.3992 136.5623 136.5974 136.7588 136.8117 137.1593 137.5462 137.8773 137.9782 138.0071 138.1757 138.3844 138.4115 138.6554 138.7725 139.2985 139.5517 139.7289 139.7531 139.8768 140.2438 140.3752 140.9350 141.0573 141.3920 141.6602 142.0661 142.1597 142.6779 142.9938 143.1423 143.3218 143.4438 143.7105 143.7296 143.9491 144.2343 144.2686 144.4042 144.4511 144.6196 144.7200 145.0999 145.2519 145.7565 146.1503 146.3019 146.6848 146.9929 147.0747 147.4517 147.7526 147.8896 148.0408 148.2095 148.2193 148.3922 148.4667 148.5802 148.6638 149.1739 149.3178 149.4597 149.7893 149.9392 150.0318 150.1556 150.2717 150.4360 150.6599 150.9579 151.1637 151.2673 151.5304 151.8566 152.0234 152.1373 152.3186 153.1301 153.2837 153.6688 153.7870 153.8506 154.1959 154.7386 155.1258 155.3252 155.6352 155.9205 156.0319 156.2068 156.5989 156.6137 156.7744 156.9125 157.2194 157.2855 157.5401 157.7216 157.8600 157.9320 158.1182 158.3845 158.7413 159.1374 159.3268 159.4711 160.7474 160.9984 161.7775 161.8558 162.0241 163.1140 163.4797 164.3584 164.6270 168.7081 168.8440 169.4304 170.3514 171.5730 172.7545 173.9684 174.0097 176.5245 179.5658 180.2651 182.5291 186.1691 186.4082 187.4080 188.1637 188.7467 189.0466 189.4757 190.1246 190.2520 191.2220 192.4022 192.5783 192.7868 195.4008 195.9968 200.0734 201.8405 203.2922 205.8743 206.4699 207.3689 212.5871 229.8882 235.8752 241.1127 247.9932 248.8911 338.9514 617.7735 618.2500 619.8624 629.2508 630.1834 631.4769 632.4169 632.5012 634.1703 634.2402 635.2893 635.3430 636.7781 637.0011 637.4547 638.6930 639.6051 640.4989 643.0160 644.2567 645.2101 646.5163 653.9373 655.6049 657.9709 1213.5321 1214.8159 1563.1224 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 0.492082 -0.217708 -0.325325 -0.330316 -0.235920 -0.141613 -0.171355 -0.430206 -0.458898 -0.091959 -0.092514 -0.149695 0.004531 -0.288810 -0.253869 0.342709 -0.201780 -0.197466 0.196523 -0.157217 0.182538 0.063367 -0.272860 0.289608 -0.191575 -0.249792 -0.149491 -0.119079 -0.195514 0.080206 0.085293 0.078952 0.088405 0.084841 0.118191 0.111299 0.104084 0.105333 0.099450 0.081261 0.099057 0.135536 0.142868 0.133193 0.135930 0.145872 0.140368 0.148229 0.092369 0.093034 0.088684 0.086739 0.087357 0.156985 0.145128 0.168144 0.157113 0.157680 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 13.5079 9.2177 8.3253 8.3303 6.2359 6.1416 6.1714 6.4302 6.4589 6.0920 6.0925 6.1497 5.9955 6.2888 6.2539 5.6573 6.2018 6.1975 5.8035 6.1572 5.8175 5.9366 6.2729 5.7104 6.1916 6.2498 6.1495 6.1191 6.1955 0.9198 0.9147 0.9210 0.9116 0.9152 0.8818 0.8887 0.8959 0.8947 0.9005 0.9187 0.9009 0.8645 0.8571 0.8668 0.8641 0.8541 0.8596 0.8518 0.9076 0.9070 0.9113 0.9133 0.9126 0.8430 0.8549 0.8319 0.8429 0.8423 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 0.4921 -0.2177 -0.3253 -0.3303 -0.2359 -0.1416 -0.1714 -0.4302 -0.4589 -0.0920 -0.0925 -0.1497 0.0045 -0.2888 -0.2539 0.3427 -0.2018 -0.1975 0.1965 -0.1572 0.1825 0.0634 -0.2729 0.2896 -0.1916 -0.2498 -0.1495 -0.1191 -0.1955 0.0802 0.0853 0.0790 0.0884 0.0848 0.1182 0.1113 0.1041 0.1053 0.0995 0.0813 0.0991 0.1355 0.1429 0.1332 0.1359 0.1459 0.1404 0.1482 0.0924 0.0930 0.0887 0.0867 0.0874 0.1570 0.1451 0.1681 0.1571 0.1577 4.1408 1.0685 2.0823 2.0823 3.7939 3.8847 3.7541 3.8995 3.9239 3.8592 3.8667 3.8954 3.6549 4.0432 3.9165 3.7559 3.9001 3.8693 3.6862 3.8727 4.0667 3.7996 3.9750 3.7258 3.8881 4.0008 3.8787 3.8912 3.9392 1.0155 1.0149 1.0016 1.0089 1.0075 1.0073 1.0036 1.0105 1.0101 1.0121 1.0110 1.0051 0.9896 0.9855 1.0148 1.0137 1.0036 1.0039 0.9976 0.9863 0.9864 1.0056 1.0038 1.0036 0.9956 1.0082 0.9859 0.9886 0.9915 4.1408 1.0685 2.0823 2.0823 3.7939 3.8847 3.7541 3.8995 3.9239 3.8592 3.8667 3.8954 3.6549 4.0432 3.9165 3.7559 3.9001 3.8693 3.6862 3.8727 4.0667 3.7996 3.9750 3.7258 3.8881 4.0008 3.8787 3.8912 3.9392 1.0155 1.0149 1.0016 1.0089 1.0075 1.0073 1.0036 1.0105 1.0101 1.0121 1.0110 1.0051 0.9896 0.9855 1.0148 1.0137 1.0036 1.0039 0.9976 0.9863 0.9864 1.0056 1.0038 1.0036 0.9956 1.0082 0.9859 0.9886 0.9915 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.9426 1.0124 0.9577 0.9718 1.0690 1.0996 0.8830 0.9569 0.9523 0.9075 0.9782 0.9784 0.9254 1.0114 0.9934 1.3110 1.3342 0.9797 0.9716 0.9717 0.9757 0.9752 0.9768 0.8982 1.0195 1.0073 1.4992 0.9834 1.4541 0.9670 1.3656 1.3571 1.3360 0.9924 1.3092 0.9738 1.3702 0.9641 1.3933 0.9899 1.3768 1.4441 0.9847 0.9682 0.9736 0.9731 0.9906 0.9940 0.9938 1.3635 1.3833 1.4002 0.9597 1.4369 0.9849 1.4310 0.9642 1.4095 0.9794 0.9832 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 -0.028657644 -1510.099959524365 -4.27988 4.49109 0.21121 37.20195 -35.53657 1.66539 11.76371 -11.92054 -0.15683 1.68604 4.28556