Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 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 Cl F F O O O N N N 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 1 2 2 3 3 3 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 463.73560639999965 AuxInfo=1/0/N:34,32,33,22,23,11,12,15,16,17,18,25,26,20,21,10,14,19,24,30,31,28,13,29,27,1,2,3,8,9,7,6,5,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,31.2,32.1,33.1/rA:54nClFFOO1O1N2NNCCCC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s10s11;s7s10;s13;s14;s14;s15;s16;s1s17s18;s4;s20;s21;s21;s8;s22s24;s23s24;s5s8s9;;s6s9s28;s2s28;s3s28;s30;s31;s32s33;s10;s11;s11;s12;s12;s15;s16;s17;s18;s20;s20;s22;s23;s25;s26;s8;s9;s32;s33;s34;/rC:-2.8548,.2719,-5.6344;5.9366,1.7269,.489;4.8788,-2.3273,2.5396;-5.0289,1.152,.3502;1.6717,.6782,-1.0824;3.3652,.2152,2.6651;-4.9557,-.1427,.8261;1.2115,.8927,1.1443;3.3252,.2745,.3871;-4.3896,-2.3945,.4057;-3.246,-2.7194,1.3385;-4.6529,-2.8036,1.82;-4.5578,-.9906,-.0357;-4.1722,-.6791,-1.4312;-5.0357,-.0372,-2.3146;-2.9019,-1.0403,-1.8728;-4.639,.2455,-3.6116;-2.4859,-.7468,-3.1618;-3.3617,-.1037,-4.0213;-4.3816,2.0155,1.272;-2.896,1.7941,1.2554;-2.2186,1.2978,2.3616;-2.1723,2.0031,.0859;-.152,1.209,1.1173;-.8647,1.0123,2.2991;-.8183,1.7243,.0043;2.001,.6306,.0855;5.3637,-.2918,1.5087;3.9257,.0972,1.5941;6.33,.5442,.97;5.7956,-1.5044,2.0265;7.6667,.2074,.9336;7.1179,-1.8921,2.001;8.0482,-1.0212,1.4516;-4.5908,-3.1293,-.365;-2.6404,-1.8903,1.6842;-2.6983,-3.6355,1.1585;-5.0831,-3.7855,1.97;-5.0048,-2.048,2.5092;-6.0358,.2355,-2.0053;-2.2135,-1.5397,-1.2029;-5.321,.739,-4.2905;-1.4895,-1.0173,-3.4844;-4.6385,3.0236,.9413;-4.785,1.8765,2.2807;-2.7526,1.1174,3.2869;-2.6708,2.3925,-.7943;-.3602,.6173,3.1733;-.3016,1.9151,-.9221;1.6196,.741,2.0613;3.8759,.0836,-.441;8.3924,.89,.5126;7.4145,-2.852,2.4014;9.091,-1.3063,1.4275; 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 1888 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 250 Dim 1345 ENuc 3477.8493403348 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 5.582e-06 Time for diagonalization 0.411 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.407 sec Total time needed 0.828 sec 17 9 9 8 8 8 7 7 7 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 1 463.73560639999965 AuxInfo=1/0/N:34,32,33,22,23,11,12,15,16,17,18,25,26,20,21,10,14,19,24,30,31,28,13,29,27,1,2,3,8,9,7,6,5,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,31.2,32.1,33.1/rA:54nClFFOO1O1N2NNCCCC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s10s11;s7s10;s13;s14;s14;s15;s16;s1s17s18;s4;s20;s21;s21;s8;s22s24;s23s24;s5s8s9;;s6s9s28;s2s28;s3s28;s30;s31;s32s33;s10;s11;s11;s12;s12;s15;s16;s17;s18;s20;s20;s22;s23;s25;s26;s8;s9;s32;s33;s34;/rC:-2.8548,.2719,-5.6344;5.9366,1.7269,.489;4.8788,-2.3273,2.5396;-5.0289,1.152,.3502;1.6717,.6782,-1.0824;3.3652,.2152,2.6651;-4.9557,-.1427,.8261;1.2115,.8927,1.1443;3.3252,.2745,.3871;-4.3896,-2.3945,.4057;-3.246,-2.7194,1.3385;-4.6529,-2.8036,1.82;-4.5578,-.9906,-.0357;-4.1722,-.6791,-1.4312;-5.0357,-.0372,-2.3146;-2.9019,-1.0403,-1.8728;-4.639,.2455,-3.6116;-2.4859,-.7468,-3.1618;-3.3617,-.1037,-4.0213;-4.3816,2.0155,1.272;-2.896,1.7941,1.2554;-2.2186,1.2978,2.3616;-2.1723,2.0031,.0859;-.152,1.209,1.1173;-.8647,1.0123,2.2991;-.8183,1.7243,.0043;2.001,.6306,.0855;5.3637,-.2918,1.5087;3.9257,.0972,1.5941;6.33,.5442,.97;5.7956,-1.5044,2.0265;7.6667,.2074,.9336;7.1179,-1.8921,2.001;8.0482,-1.0212,1.4516;-4.5908,-3.1293,-.365;-2.6404,-1.8903,1.6842;-2.6983,-3.6355,1.1585;-5.0831,-3.7855,1.97;-5.0048,-2.048,2.5092;-6.0358,.2355,-2.0053;-2.2135,-1.5397,-1.2029;-5.321,.739,-4.2905;-1.4895,-1.0173,-3.4844;-4.6385,3.0236,.9413;-4.785,1.8765,2.2807;-2.7526,1.1174,3.2869;-2.6708,2.3925,-.7943;-.3602,.6173,3.1733;-.3016,1.9151,-.9221;1.6196,.741,2.0613;3.8759,.0836,-.441;8.3924,.89,.5126;7.4145,-2.852,2.4014;9.091,-1.3063,1.4275; 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" 463.73560639999965 AuxInfo=1/0/N:34,32,33,22,23,11,12,15,16,17,18,25,26,20,21,10,14,19,24,30,31,28,13,29,27,1,2,3,8,9,7,6,5,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,31.2,32.1,33.1/rA:54nClFFOO1O1N2NNCCCC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s10s11;s7s10;s13;s14;s14;s15;s16;s1s17s18;s4;s20;s21;s21;s8;s22s24;s23s24;s5s8s9;;s6s9s28;s2s28;s3s28;s30;s31;s32s33;s10;s11;s11;s12;s12;s15;s16;s17;s18;s20;s20;s22;s23;s25;s26;s8;s9;s32;s33;s34;/rC:-2.8548,.2719,-5.6344;5.9366,1.7269,.489;4.8788,-2.3273,2.5396;-5.0289,1.152,.3502;1.6717,.6782,-1.0824;3.3652,.2152,2.6651;-4.9557,-.1427,.8261;1.2115,.8927,1.1443;3.3252,.2745,.3871;-4.3896,-2.3945,.4057;-3.246,-2.7194,1.3385;-4.6529,-2.8036,1.82;-4.5578,-.9906,-.0357;-4.1722,-.6791,-1.4312;-5.0357,-.0372,-2.3146;-2.9019,-1.0403,-1.8728;-4.639,.2455,-3.6116;-2.4859,-.7468,-3.1618;-3.3617,-.1037,-4.0213;-4.3816,2.0155,1.272;-2.896,1.7941,1.2554;-2.2186,1.2978,2.3616;-2.1723,2.0031,.0859;-.152,1.209,1.1173;-.8647,1.0123,2.2991;-.8183,1.7243,.0043;2.001,.6306,.0855;5.3637,-.2918,1.5087;3.9257,.0972,1.5941;6.33,.5442,.97;5.7956,-1.5044,2.0265;7.6667,.2074,.9336;7.1179,-1.8921,2.001;8.0482,-1.0212,1.4516;-4.5908,-3.1293,-.365;-2.6404,-1.8903,1.6842;-2.6983,-3.6355,1.1585;-5.0831,-3.7855,1.97;-5.0048,-2.048,2.5092;-6.0358,.2355,-2.0053;-2.2135,-1.5397,-1.2029;-5.321,.739,-4.2905;-1.4895,-1.0173,-3.4844;-4.6385,3.0236,.9413;-4.785,1.8765,2.2807;-2.7526,1.1174,3.2869;-2.6708,2.3925,-.7943;-.3602,.6173,3.1733;-.3016,1.9151,-.9221;1.6196,.741,2.0613;3.8759,.0836,-.441;8.3924,.89,.5126;7.4145,-2.852,2.4014;9.091,-1.3063,1.4275; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.6280 1.8900 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 3106 GEPOL Volume 3223.3466 GEPOL Surface-area 1782.0006 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.5s -2014.66169066 3477.84934033 -5492.51103100 -9675.74769389 4183.23666289 -0.03994484 -4022.33305537 2007.67136471 2.00348181 124.999999205808 124.999999205808 249.999998411616 -167.132529843619 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 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.2870 -675.3084 -675.2601 -524.3503 -523.5527 -522.9219 -394.0600 -393.6140 -393.5972 -283.9039 -283.7332 -282.7463 -282.7261 -281.5463 -281.1795 -281.0819 -280.8975 -280.7340 -280.4232 -280.2812 -280.1424 -280.1333 -280.0546 -280.0519 -280.0349 -280.0323 -279.9922 -279.7974 -279.7841 -279.7698 -279.7414 -279.7092 -279.7092 -279.5776 -260.5600 -199.3925 -199.1616 -199.1527 -37.2567 -37.2115 -33.0262 -33.0068 -32.3340 -29.3950 -28.9318 -27.9234 -27.5787 -27.4860 -26.6646 -26.3268 -25.9886 -24.8417 -24.1243 -24.1093 -23.9121 -23.6592 -23.4921 -22.2721 -21.6546 -20.8328 -20.6351 -20.3549 -20.2389 -19.9599 -19.6350 -19.3605 -19.2869 -18.8680 -18.6780 -18.2714 -17.9145 -17.8150 -17.5278 -17.4695 -17.1343 -16.5727 -16.5693 -16.4465 -16.1870 -16.0857 -16.0105 -15.9853 -15.8764 -15.7709 -15.5392 -15.4809 -15.3216 -15.2266 -15.0317 -14.9056 -14.7773 -14.5150 -14.4198 -14.3865 -14.1158 -13.9121 -13.7004 -13.6224 -13.3437 -13.2282 -13.1328 -13.0109 -12.9383 -12.8213 -12.6604 -12.5938 -12.3824 -12.1699 -11.8938 -11.8054 -11.3430 -11.2229 -11.1210 -11.0655 -10.8129 -10.8038 -10.5512 -10.0262 -9.8295 -9.7202 -9.5104 -9.4287 -9.3105 -8.8600 -8.4671 0.5344 0.8715 1.2762 1.4404 1.5881 1.6665 2.1454 2.5052 2.9861 3.2790 3.4399 3.7843 3.8010 3.9329 4.0012 4.0936 4.2483 4.5521 4.6720 4.7276 4.8263 4.8938 4.9851 5.0433 5.0886 5.3047 5.3151 5.5053 5.6329 5.7539 5.7625 5.8400 5.9680 6.0080 6.1215 6.1964 6.2957 6.3720 6.4222 6.5337 6.6825 6.7901 6.8269 6.9246 6.9760 7.3193 7.3846 7.5431 7.5960 7.6431 7.7128 7.8580 7.9810 8.0554 8.1527 8.2888 8.3189 8.3516 8.5048 8.5656 8.6604 8.6841 8.7429 8.8029 8.8503 8.9509 9.0262 9.0945 9.1603 9.3298 9.4399 9.6423 9.6801 9.8119 9.8478 9.9960 10.0894 10.1023 10.2113 10.3465 10.4405 10.5474 10.5792 10.7365 10.7772 10.8747 10.9715 11.0613 11.1681 11.2300 11.3643 11.3996 11.5200 11.5886 11.6417 11.7064 11.7683 11.8043 11.9307 11.9750 12.1012 12.1405 12.2137 12.2411 12.3704 12.4500 12.5056 12.6523 12.7264 12.8483 12.9646 13.0123 13.0350 13.0666 13.2056 13.2887 13.3371 13.4150 13.4849 13.6126 13.6332 13.7456 13.8163 13.8626 13.9655 13.9759 14.0432 14.1815 14.1941 14.2319 14.3402 14.4991 14.5578 14.6020 14.7092 14.8198 14.8503 14.9633 15.0178 15.0654 15.2760 15.3826 15.4632 15.4978 15.5886 15.6310 15.7173 15.8298 15.8664 15.9802 16.0452 16.1307 16.2966 16.3522 16.4308 16.5806 16.6230 16.8206 16.8737 16.9866 17.1637 17.2336 17.3110 17.4463 17.4938 17.6330 17.7128 17.8151 17.8538 18.0609 18.1138 18.1501 18.2180 18.3926 18.4882 18.6611 18.7450 19.0001 19.1447 19.2207 19.3553 19.4103 19.6266 19.7070 19.7319 19.7746 19.9572 19.9671 20.2499 20.3514 20.4218 20.4941 20.5759 20.6130 20.8028 20.9631 21.0732 21.1183 21.1487 21.3118 21.4507 21.5304 21.6479 21.7363 21.7944 21.8598 22.0004 22.1070 22.2751 22.3301 22.5092 22.6102 22.6687 22.8041 22.9832 23.0210 23.0895 23.1699 23.2417 23.3119 23.5381 23.6042 23.7038 23.8981 23.9310 24.0266 24.1346 24.3407 24.4322 24.5435 24.6432 24.9002 25.0230 25.0427 25.1733 25.2942 25.3787 25.4508 25.6350 25.7381 25.8948 25.9730 26.0207 26.1186 26.3610 26.4032 26.5508 26.6291 26.7453 26.9630 27.0413 27.1743 27.3010 27.4874 27.5305 27.7425 27.8627 27.9290 28.0241 28.1396 28.1930 28.2853 28.5201 28.5652 28.5935 28.7494 28.7857 28.9647 29.0014 29.0913 29.2431 29.4151 29.5225 29.5787 29.7714 29.7929 29.9302 30.0917 30.1534 30.3083 30.4229 30.6073 30.7104 30.8403 30.9672 31.0364 31.1463 31.3606 31.3789 31.6067 31.7252 31.8181 32.0293 32.2150 32.3731 32.4458 32.4972 32.6377 32.7360 32.8266 32.9035 33.1530 33.2049 33.4318 33.5870 33.7209 33.8639 33.9465 34.1237 34.1538 34.3980 34.4780 34.5795 34.7989 34.8933 35.0003 35.0989 35.2480 35.3788 35.5016 35.6190 35.7464 35.8714 35.9983 36.0637 36.1921 36.3067 36.4836 36.5887 36.7298 36.8727 36.9545 36.9635 37.0972 37.2162 37.3847 37.4361 37.6789 37.7083 37.8686 37.9790 38.0362 38.0947 38.2989 38.3729 38.6240 38.6861 38.6958 38.7606 38.9757 39.0593 39.3469 39.4759 39.5562 39.6068 39.6970 39.7860 39.8327 40.0145 40.0377 40.2340 40.3636 40.4868 40.5147 40.6615 40.8040 40.8788 40.9460 41.1274 41.1938 41.3558 41.4288 41.5322 41.6633 41.7501 41.9209 42.1041 42.1987 42.3965 42.4380 42.5548 42.7394 43.1305 43.2025 43.2557 43.3243 43.4767 43.6656 43.6953 43.8171 43.9607 43.9885 44.0784 44.2988 44.3756 44.6538 44.7299 44.9902 45.1271 45.1759 45.2327 45.3156 45.4709 45.5495 45.6759 45.7187 45.9027 45.9945 46.2155 46.4000 46.4878 46.6236 46.7478 46.8267 46.9920 47.0757 47.3206 47.4455 47.6279 47.6810 47.8434 47.9485 48.1461 48.2670 48.4162 48.4971 48.5915 48.7030 49.0495 49.0828 49.1830 49.2387 49.3949 49.6832 49.8194 49.8640 50.0858 50.1813 50.3499 50.3970 50.6485 50.8858 50.9282 51.1567 51.4092 51.5238 51.6146 51.7392 51.8818 52.0566 52.1747 52.2913 52.5369 52.8150 52.9137 53.0589 53.1567 53.4290 53.5996 53.7393 53.9178 54.1704 54.4265 54.5050 54.7642 54.9641 55.1288 55.3994 55.7638 55.9238 56.0060 56.0483 56.2787 56.5153 56.6299 56.7263 57.0798 57.3009 57.4140 57.4868 57.5729 57.6880 57.7800 57.8580 58.1544 58.3422 58.3923 58.6046 58.6811 58.8595 58.9192 59.2197 59.3689 59.6738 59.7303 59.8737 60.0679 60.2062 60.2291 60.4935 60.9001 60.9979 61.1420 61.2460 61.4207 61.6531 61.6874 61.8901 62.1531 62.4842 62.7166 62.9171 62.9766 63.0174 63.2636 63.5633 63.7535 63.8231 63.9622 64.2002 64.3054 64.4008 64.4723 64.6805 64.8328 64.8596 65.0046 65.4187 65.4855 65.7720 65.8949 65.9474 66.1802 66.3489 66.4495 66.7582 66.8471 66.8957 67.0979 67.1980 67.2348 67.3704 67.5524 67.7436 67.8537 68.2196 68.3218 68.3299 68.6279 68.6813 69.2210 69.4424 69.7281 70.2672 70.5183 70.6623 70.7281 70.9534 71.1328 71.4223 71.5118 71.9009 71.9649 72.3302 72.8167 72.9403 73.0806 73.4521 73.9493 74.0815 74.2709 74.5243 74.7913 74.8636 74.9535 75.1700 75.4020 75.5672 75.9806 76.0507 76.1427 76.2739 76.3463 76.5944 76.6781 77.0789 77.1540 77.2770 77.3547 77.4549 77.6175 77.6326 77.8297 78.0353 78.2234 78.2677 78.5968 78.6778 78.9051 79.0133 79.0589 79.1685 79.2391 79.3649 79.4459 79.5798 79.6295 79.6884 79.8322 79.9112 80.0740 80.1985 80.2070 80.2770 80.3962 80.4896 80.6206 80.6864 80.7717 81.0314 81.1866 81.3150 81.3487 81.4115 81.5724 81.5764 81.7592 81.9421 82.1144 82.3437 82.4138 82.4682 82.5617 82.7429 82.7652 82.8503 82.9002 83.0301 83.1126 83.2356 83.3052 83.3679 83.5340 83.6457 83.7357 83.9410 84.0936 84.1938 84.2964 84.4632 84.5655 84.6291 84.7157 84.8568 84.9284 85.0628 85.1467 85.2001 85.2967 85.4700 85.5924 85.8441 85.9291 85.9762 86.0513 86.1448 86.3378 86.4524 86.4776 86.6220 86.6673 86.7196 86.9365 87.0713 87.1536 87.2602 87.3089 87.4273 87.4995 87.6695 87.7818 87.9304 88.0877 88.2219 88.3248 88.4410 88.4882 88.5257 88.8126 88.8405 88.9826 89.0774 89.1891 89.2587 89.2937 89.3449 89.5667 89.7328 89.8007 90.0486 90.0521 90.1975 90.3489 90.5101 90.5773 90.6903 90.7880 90.8477 90.9870 91.0285 91.2314 91.5392 91.5897 91.7150 91.8066 91.8272 92.0396 92.1111 92.2840 92.3892 92.5189 92.5435 92.6106 92.8029 93.0062 93.1339 93.1586 93.2463 93.4382 93.5116 93.5559 93.6567 93.7385 93.9498 94.0389 94.1238 94.1380 94.2340 94.3577 94.5947 94.6538 94.7087 94.7934 94.8423 94.9774 94.9843 95.1565 95.3843 95.5196 95.7189 95.7655 95.8178 96.0006 96.1385 96.2728 96.3161 96.5824 96.7332 96.8780 96.9107 97.0220 97.0899 97.1745 97.4016 97.4928 97.6934 97.8384 97.9160 98.0120 98.0999 98.2179 98.3284 98.4203 98.5877 98.6937 98.9671 99.0353 99.1794 99.2296 99.5344 99.5656 99.6454 99.7740 99.9078 99.9888 100.1057 100.3044 100.4380 100.5414 100.7408 100.8089 100.9373 101.2612 101.3657 101.5339 101.6337 101.7805 101.9392 102.0252 102.2247 102.3150 102.5388 102.6793 102.7339 102.7996 102.8501 103.2312 103.3345 103.5368 103.7784 103.9114 103.9510 104.0999 104.2765 104.5725 104.8377 104.9700 105.0555 105.1608 105.2287 105.4101 105.4310 105.6124 105.6973 105.7818 105.7982 105.9138 106.0237 106.1246 106.1895 106.3321 106.3950 106.5337 106.7374 106.9351 107.1064 107.1782 107.3932 107.4651 107.5898 107.7606 107.9234 108.0378 108.1329 108.3278 108.4703 108.5601 108.5764 108.8465 108.9673 109.0924 109.5436 109.6308 109.7116 109.8528 110.0263 110.2136 110.3202 110.4754 110.7103 110.8317 110.9368 111.0355 111.0767 111.2255 111.3727 111.6182 111.6832 111.9081 112.0716 112.2181 112.4011 112.5648 112.9205 112.9640 113.0538 113.1967 113.5372 113.7224 113.7654 113.9218 114.0528 114.1137 114.3719 114.4654 114.6426 114.7812 114.8583 115.0587 115.1453 115.3999 115.6162 115.7657 116.0069 116.2255 116.3388 116.4469 116.6277 116.7212 116.8948 116.9138 117.0168 117.1899 117.2272 117.3583 117.3975 117.6831 117.7457 117.8125 117.9550 118.1050 118.1440 118.2734 118.3813 118.5519 118.6161 118.7922 118.8256 118.8353 119.0025 119.2909 119.3701 119.4361 119.5345 119.6541 119.8142 119.8809 119.9453 120.0182 120.1989 120.4861 120.6776 120.7781 121.0728 121.3102 121.6034 121.6142 122.0029 122.1276 122.2547 122.4151 122.5381 122.6268 122.8187 122.8827 123.2382 123.3592 123.5777 123.7787 123.9790 124.3271 124.6534 124.7021 125.1710 125.3723 125.7534 125.7716 126.0905 126.1205 126.6614 126.7852 126.9963 127.3982 127.8309 127.8869 127.9507 128.0404 128.3383 128.5838 128.6931 128.8813 129.2360 129.4575 129.5563 129.7438 129.9743 130.0173 130.3676 130.5727 130.6451 130.7328 130.8848 130.9468 131.2273 131.3722 131.4721 131.7699 131.8675 131.9392 132.1222 132.3174 132.5342 132.7239 132.8621 132.9538 133.0925 133.2119 133.6200 133.8254 133.9060 134.1622 134.3735 134.7138 134.7748 134.9357 135.1171 135.1819 135.5905 135.6958 135.9299 136.0241 136.3815 136.9939 137.3350 138.0879 138.2172 138.4664 138.7398 138.8685 139.0390 139.1579 139.3083 139.5815 139.7694 140.0044 140.2735 140.4366 140.5973 140.8154 140.9057 141.0446 141.3230 142.2488 142.5065 142.7286 143.2379 143.3475 143.5761 143.8423 144.1329 144.4314 144.5405 144.5885 144.8013 144.9241 145.1498 145.3734 145.4253 145.6511 146.0768 146.4641 146.6445 146.8102 147.0355 147.4026 147.5698 147.6610 148.0865 148.1858 148.5002 148.6805 148.7770 149.0495 149.2131 149.4516 149.7119 149.7555 149.8939 150.1599 150.5071 150.6657 150.7796 150.9473 151.1755 151.5196 151.6495 151.8798 151.9395 152.3162 152.3798 152.7297 152.9764 153.4046 153.6580 153.9268 154.0601 154.3975 155.0758 155.3386 155.4648 156.0481 156.4225 156.7235 157.2288 157.4456 157.5621 157.6847 157.8729 158.1229 158.5610 158.9539 159.2580 159.3905 159.5653 160.3626 160.6588 161.0253 161.3748 162.0491 162.3083 162.3417 163.3106 163.7337 164.3850 165.3017 166.0786 166.5209 166.7500 167.4054 168.8474 169.6813 170.2130 171.3210 171.3993 171.4775 173.0452 173.7240 175.5197 175.9604 176.7840 177.2806 177.4132 177.4737 178.2060 178.8238 180.5513 181.1267 183.9113 185.6148 186.9635 187.6793 187.7941 188.0286 188.2586 189.0463 189.1175 189.2899 189.4164 189.8421 192.3067 192.3155 192.6661 194.7597 195.5341 195.6064 196.2720 196.3393 196.9707 197.9025 199.1908 200.7103 201.2473 203.3380 205.0759 205.5402 209.9525 212.6783 215.7043 221.6459 222.9903 223.5250 227.3148 229.5186 229.5900 230.2350 235.1262 235.3995 240.6885 241.1864 247.3101 247.4157 248.1943 248.7331 294.9428 297.5039 312.6132 611.4700 616.3773 622.6792 626.5836 629.5359 631.1716 632.0091 632.4526 633.8944 634.1004 634.6653 634.8843 635.5909 636.1485 636.6517 637.8526 638.6552 639.8925 642.1043 643.3493 646.8401 647.5866 654.3400 655.6259 657.9968 712.4427 885.2608 898.9337 905.3631 1197.2936 1198.8002 1207.7252 1562.2334 1563.8070 -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 Cl F F O O O N N N 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 -0.093938 -0.205889 -0.202447 -0.255619 -0.493714 -0.445493 -0.164711 -0.182420 -0.155428 -0.069017 -0.168910 -0.157548 0.216051 0.035217 -0.186802 -0.234331 -0.158526 -0.158847 0.118786 0.099578 -0.004109 -0.185491 -0.204105 0.204973 -0.196470 -0.209197 0.418793 -0.128987 0.396085 0.311000 0.303580 -0.245549 -0.246617 -0.062956 0.110115 0.095362 0.098064 0.099828 0.082598 0.142783 0.155759 0.142055 0.142373 0.111989 0.094511 0.141610 0.139541 0.140193 0.148862 0.199019 0.195735 0.153303 0.152646 0.166714 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 Cl F F O O O N N N 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 17.0939 9.2059 9.2024 8.2556 8.4937 8.4455 7.1647 7.1824 7.1554 6.0690 6.1689 6.1575 5.7839 5.9648 6.1868 6.2343 6.1585 6.1588 5.8812 5.9004 6.0041 6.1855 6.2041 5.7950 6.1965 6.2092 5.5812 6.1290 5.6039 5.6890 5.6964 6.2455 6.2466 6.0630 0.8899 0.9046 0.9019 0.9002 0.9174 0.8572 0.8442 0.8579 0.8576 0.8880 0.9055 0.8584 0.8605 0.8598 0.8511 0.8010 0.8043 0.8467 0.8474 0.8333 17.0000 9.0000 9.0000 8.0000 8.0000 8.0000 7.0000 7.0000 7.0000 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 -0.0939 -0.2059 -0.2024 -0.2556 -0.4937 -0.4455 -0.1647 -0.1824 -0.1554 -0.0690 -0.1689 -0.1575 0.2161 0.0352 -0.1868 -0.2343 -0.1585 -0.1588 0.1188 0.0996 -0.0041 -0.1855 -0.2041 0.2050 -0.1965 -0.2092 0.4188 -0.1290 0.3961 0.3110 0.3036 -0.2455 -0.2466 -0.0630 0.1101 0.0954 0.0981 0.0998 0.0826 0.1428 0.1558 0.1421 0.1424 0.1120 0.0945 0.1416 0.1395 0.1402 0.1489 0.1990 0.1957 0.1533 0.1526 0.1667 1.2112 1.0889 1.0968 1.8975 2.0143 2.0670 2.8755 3.2398 3.2015 3.7601 3.9130 3.9263 3.7554 3.5108 3.9843 3.9715 3.9956 4.0092 3.8245 3.8661 3.5693 3.9352 3.9876 3.7516 3.9509 3.9562 4.3181 3.5448 4.0865 3.9343 3.9589 3.9645 3.9627 3.8079 1.0060 1.0129 1.0176 1.0159 1.0408 1.0145 0.9941 1.0069 1.0082 0.9957 1.0131 1.0035 1.0084 1.0082 1.0297 1.0404 1.0061 1.0005 1.0008 0.9847 1.2112 1.0889 1.0968 1.8975 2.0143 2.0670 2.8755 3.2398 3.2015 3.7601 3.9130 3.9263 3.7554 3.5108 3.9843 3.9715 3.9956 4.0092 3.8245 3.8661 3.5693 3.9352 3.9876 3.7516 3.9509 3.9562 4.3181 3.5448 4.0865 3.9343 3.9589 3.9645 3.9627 3.8079 1.0060 1.0129 1.0176 1.0159 1.0408 1.0145 0.9941 1.0069 1.0082 0.9957 1.0131 1.0035 1.0084 1.0082 1.0297 1.0404 1.0061 1.0005 1.0008 0.9847 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 1.0018 1.0416 1.0559 0.8444 0.9373 1.9047 1.8898 1.9021 1.0043 1.2511 0.9206 1.0554 1.1984 0.9352 0.8933 0.9438 0.9447 1.0121 0.9540 1.0047 1.0056 1.0121 0.9986 0.8810 1.3104 1.3181 1.4765 0.9926 1.4720 0.9948 1.3704 0.9809 1.3767 0.9826 0.9301 0.9863 1.0151 1.3366 1.3445 1.4725 1.0050 1.4890 0.9984 1.3573 1.3530 0.9896 0.9730 0.9006 1.3285 1.3253 1.4611 1.4648 1.3832 0.9824 1.3787 0.9819 0.9663 0 18 1 29 2 30 3 6 3 19 4 26 5 28 6 12 7 23 7 26 7 49 8 26 8 28 8 50 9 10 9 11 9 12 9 34 10 11 10 35 10 36 11 37 11 38 12 13 13 14 13 15 14 16 14 39 15 17 15 40 16 18 16 41 17 18 17 42 19 20 19 43 19 44 20 21 20 22 21 24 21 45 22 25 22 46 23 24 23 25 24 47 25 48 27 28 27 29 27 30 29 31 30 32 31 33 31 51 32 33 32 52 33 53 -0.028981600 -2014.690672262418 -25.06191 27.75145 2.68954 -6.75808 5.59661 -1.16148 13.93344 -13.19065 0.74279 3.02232 7.68212