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:7.5072,4.1998,-1.3241;-5.8847,2.3467,1.4152;-7.2662,-1.1512,-1.3493;3.7183,-2.727,-.2469;-2.7544,-1.0079,2.1621;-4.6512,.1461,-1.3294;4.1921,-1.4995,-.6146;-2.4206,-.7809,-.0877;-4.4485,-.2209,.911;5.3618,-1.679,1.5159;5.5902,-.893,2.7683;4.3496,-1.7118,2.6275;4.9994,-1.0041,.2422;5.594,.2971,-.1199;4.8863,1.2327,-.8743;6.9008,.5972,.2613;5.4663,2.4347,-1.2439;7.4971,1.7912,-.11;6.7722,2.7016,-.8619;2.678,-3.1359,-1.1153;1.3704,-2.459,-.816;.5132,-2.083,-1.8434;.9578,-2.2335,.4921;-1.1421,-1.3278,-.2559;-.7265,-1.5321,-1.572;-.275,-1.6685,.7819;-3.1358,-.6998,1.0481;-6.531,.5814,.0294;-5.121,.1596,-.2069;-6.8701,1.6755,.8115;-7.5707,-.0894,-.6;-8.1727,2.0987,.9706;-8.8894,.2831,-.4565;-9.1778,1.3882,.3316;5.9544,-2.5806,1.3957;5.4875,.1839,2.7226;6.3665,-1.2384,3.4382;4.2567,-2.6281,3.1954;3.4163,-1.1846,2.4721;3.8646,1.0322,-1.1677;7.4741,-.1104,.8455;4.9011,3.1549,-1.8196;8.5157,2.0031,.185;2.9623,-2.9819,-2.16;2.591,-4.2128,-.9555;.8098,-2.2291,-2.8751;1.6,-2.5047,1.3209;-1.3802,-1.2598,-2.392;-.5398,-1.5065,1.8131;-2.9012,-.51,-.9403;-4.9527,-.2027,1.7893;-8.3953,2.965,1.5783;-9.6723,-.2764,-.9499;-10.2058,1.701,.4498; 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 3276.2184435687 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 1 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 6.063e-06 Time for diagonalization 0.624 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.575 sec Total time needed 1.221 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:7.5072,4.1998,-1.3241;-5.8847,2.3467,1.4152;-7.2662,-1.1512,-1.3493;3.7183,-2.727,-.2469;-2.7544,-1.0079,2.1621;-4.6512,.1461,-1.3294;4.1921,-1.4995,-.6146;-2.4206,-.7809,-.0877;-4.4485,-.2209,.911;5.3618,-1.679,1.5159;5.5902,-.893,2.7683;4.3496,-1.7118,2.6275;4.9994,-1.0041,.2422;5.594,.2971,-.1199;4.8863,1.2327,-.8743;6.9008,.5972,.2613;5.4663,2.4347,-1.2439;7.4971,1.7912,-.11;6.7722,2.7016,-.8619;2.678,-3.1359,-1.1153;1.3704,-2.459,-.816;.5132,-2.083,-1.8433;.9578,-2.2335,.4921;-1.1421,-1.3278,-.2559;-.7265,-1.5321,-1.572;-.275,-1.6685,.7819;-3.1358,-.6998,1.0481;-6.531,.5814,.0294;-5.121,.1596,-.2069;-6.8701,1.6755,.8115;-7.5707,-.0894,-.6;-8.1727,2.0987,.9706;-8.8894,.2831,-.4565;-9.1778,1.3882,.3316;5.9544,-2.5806,1.3957;5.4875,.1839,2.7226;6.3665,-1.2384,3.4382;4.2567,-2.6281,3.1954;3.4163,-1.1846,2.4721;3.8646,1.0322,-1.1677;7.4741,-.1104,.8455;4.9011,3.1549,-1.8196;8.5157,2.0031,.185;2.9623,-2.9819,-2.16;2.591,-4.2128,-.9555;.8098,-2.2291,-2.8751;1.6,-2.5047,1.3209;-1.3802,-1.2598,-2.392;-.5398,-1.5065,1.8131;-2.9012,-.51,-.9403;-4.9527,-.2027,1.7893;-8.3953,2.965,1.5783;-9.6723,-.2764,-.9499;-10.2058,1.701,.4498; 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 "WATER" 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:7.5072,4.1998,-1.3241;-5.8847,2.3467,1.4152;-7.2662,-1.1512,-1.3493;3.7183,-2.727,-.2469;-2.7544,-1.0079,2.1621;-4.6512,.1461,-1.3294;4.1921,-1.4995,-.6146;-2.4206,-.7809,-.0877;-4.4485,-.2209,.911;5.3618,-1.679,1.5159;5.5902,-.893,2.7683;4.3496,-1.7118,2.6275;4.9994,-1.0041,.2422;5.594,.2971,-.1199;4.8863,1.2327,-.8743;6.9008,.5972,.2613;5.4663,2.4347,-1.2439;7.4971,1.7912,-.11;6.7722,2.7016,-.8619;2.678,-3.1359,-1.1153;1.3704,-2.459,-.816;.5132,-2.083,-1.8434;.9578,-2.2335,.4921;-1.1421,-1.3278,-.2559;-.7265,-1.5321,-1.572;-.275,-1.6685,.7819;-3.1358,-.6998,1.0481;-6.531,.5814,.0294;-5.121,.1596,-.2069;-6.8701,1.6755,.8115;-7.5707,-.0894,-.6;-8.1727,2.0987,.9706;-8.8894,.2831,-.4565;-9.1778,1.3882,.3316;5.9544,-2.5806,1.3957;5.4875,.1839,2.7226;6.3665,-1.2384,3.4382;4.2567,-2.6281,3.1954;3.4163,-1.1846,2.4721;3.8646,1.0322,-1.1677;7.4741,-.1104,.8455;4.9011,3.1549,-1.8196;8.5157,2.0031,.185;2.9623,-2.9819,-2.16;2.591,-4.2128,-.9555;.8098,-2.2291,-2.8751;1.6,-2.5047,1.3209;-1.3802,-1.2598,-2.392;-.5398,-1.5065,1.8131;-2.9012,-.51,-.9403;-4.9527,-.2027,1.7893;-8.3953,2.965,1.5783;-9.6723,-.2764,-.9499;-10.2058,1.701,.4498; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3104 GEPOL Volume 3194.7086 GEPOL Surface-area 1773.6860 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.9s -2014.65187567 3276.21844357 -5290.87031924 -9272.43305570 3981.56273646 -0.04787478 -4022.30716484 2007.65528917 2.00348495 124.999929262369 124.999929262369 249.999858524737 -167.134830210101 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 -2765.3022 -675.2756 -675.2364 -524.6737 -523.5741 -522.9956 -394.0803 -393.8178 -393.6654 -283.9722 -283.7596 -282.7084 -282.6856 -281.5305 -281.2005 -280.9866 -280.9631 -280.7080 -280.3618 -280.2619 -280.0803 -280.0745 -280.0278 -280.0260 -279.9975 -279.9909 -279.9885 -279.8765 -279.7948 -279.7780 -279.7482 -279.7277 -279.6114 -279.5733 -260.5758 -199.4074 -199.1778 -199.1689 -37.2199 -37.1873 -33.3811 -33.0318 -32.3613 -29.4355 -28.9457 -27.9694 -27.5548 -27.4424 -26.6975 -26.4266 -26.0289 -24.8131 -24.1841 -24.0724 -23.8938 -23.6753 -23.4307 -22.2224 -21.5751 -20.8130 -20.6134 -20.4420 -20.2713 -19.9824 -19.6232 -19.3844 -19.2557 -18.8536 -18.6948 -18.3243 -18.0225 -17.7970 -17.4861 -17.2633 -17.1126 -16.8724 -16.5226 -16.4242 -16.2771 -16.1747 -16.0605 -16.0079 -15.8389 -15.7783 -15.4996 -15.3518 -15.3120 -15.1897 -14.9995 -14.8805 -14.7630 -14.4580 -14.3972 -14.3796 -14.1586 -14.0538 -13.7802 -13.6552 -13.5712 -13.3279 -13.2078 -12.9833 -12.9092 -12.8801 -12.6393 -12.4322 -12.4081 -12.2405 -11.9678 -11.8907 -11.3617 -11.2396 -11.1174 -11.0487 -10.8623 -10.6313 -10.5808 -10.1296 -9.9351 -9.7907 -9.6316 -9.4713 -9.4633 -8.5670 -8.4557 0.4983 0.6828 1.3555 1.4479 1.5788 1.6406 2.1835 2.7512 3.0848 3.3514 3.5717 3.8282 3.9754 4.0021 4.1114 4.1604 4.3030 4.4594 4.6842 4.7429 4.7646 4.9209 4.9713 5.1198 5.2692 5.3445 5.3754 5.4580 5.5625 5.7184 5.7537 5.8155 5.8918 6.1205 6.1423 6.2147 6.2588 6.3779 6.4643 6.5738 6.6898 6.8620 6.9186 7.0434 7.1711 7.2745 7.4454 7.5172 7.6483 7.6827 7.8205 7.8561 7.9954 8.0730 8.1428 8.2176 8.2775 8.3923 8.4043 8.4230 8.6347 8.6413 8.6948 8.7433 8.9260 8.9665 9.0067 9.0722 9.1738 9.3004 9.3857 9.4829 9.5375 9.7336 9.9176 9.9695 9.9829 10.0193 10.1259 10.2591 10.2753 10.3096 10.5090 10.6758 10.7408 10.8740 10.9156 10.9937 11.0759 11.1670 11.2811 11.3442 11.4383 11.5247 11.6240 11.7086 11.7440 11.8183 11.8475 11.9554 11.9731 11.9964 12.1050 12.1263 12.1631 12.2616 12.3897 12.4526 12.4695 12.5983 12.6229 12.8231 12.9903 13.0653 13.1446 13.1525 13.2212 13.3351 13.3937 13.4268 13.5290 13.5769 13.6498 13.7483 13.7681 13.9621 14.0172 14.1426 14.1853 14.2388 14.2956 14.3889 14.4229 14.5320 14.6345 14.7422 14.7852 14.9462 15.0754 15.2026 15.2466 15.2880 15.3466 15.4837 15.4950 15.5799 15.6703 15.7338 15.8339 15.9392 16.0158 16.1083 16.1616 16.2808 16.4282 16.5088 16.5507 16.5579 16.6947 16.8422 16.9500 17.0746 17.1334 17.2862 17.3370 17.4176 17.5741 17.6504 17.7030 17.8882 17.9004 18.0124 18.1116 18.2365 18.2746 18.5621 18.5832 18.7468 18.9393 18.9613 19.1597 19.3357 19.4852 19.5470 19.7028 19.7685 19.8722 20.0364 20.0648 20.1747 20.2182 20.2826 20.2870 20.4894 20.6685 20.7225 20.7716 20.9036 21.0483 21.1863 21.3139 21.4373 21.4854 21.5568 21.6285 21.6584 21.7560 21.8880 21.9939 22.1183 22.3783 22.4462 22.5993 22.6907 22.7179 22.8577 22.9386 23.0764 23.0855 23.2360 23.2654 23.5102 23.5221 23.6441 23.8033 23.8610 23.9596 24.1934 24.2448 24.4493 24.5409 24.7418 24.7521 24.9290 25.0558 25.1968 25.3027 25.4281 25.5380 25.6732 25.7478 25.8001 26.0092 26.0957 26.1573 26.2963 26.3835 26.5439 26.7274 26.7822 26.9793 27.0603 27.2267 27.3653 27.4830 27.6132 27.7890 27.9253 28.0221 28.0735 28.0866 28.1570 28.2763 28.4563 28.5827 28.6706 28.7853 28.9746 29.0601 29.0897 29.1566 29.2278 29.3275 29.4432 29.4767 29.6062 29.7141 29.9199 30.0626 30.1030 30.1729 30.3421 30.4858 30.5416 30.6077 30.7135 30.9004 31.0509 31.0649 31.3330 31.3967 31.5303 31.6731 31.8204 31.9348 32.0036 32.1234 32.3757 32.3991 32.6701 32.6988 32.9068 33.0226 33.0857 33.3198 33.4808 33.5663 33.8766 34.0869 34.1547 34.2318 34.4790 34.6489 34.7101 34.8236 34.9374 35.0185 35.1938 35.2522 35.3637 35.3886 35.6373 35.6732 35.7267 35.8470 35.9333 36.0749 36.2166 36.3821 36.4297 36.5767 36.6883 36.7299 36.9032 37.0049 37.2011 37.3107 37.3698 37.4855 37.5296 37.6179 37.8162 37.9075 37.9807 38.2133 38.2313 38.3251 38.4803 38.6126 38.7046 38.8732 39.0436 39.1648 39.3105 39.4922 39.6528 39.6651 39.7672 39.8915 39.9372 40.1218 40.1938 40.3156 40.4576 40.4828 40.5537 40.7746 40.8262 40.9551 41.1397 41.2520 41.3856 41.4658 41.5319 41.7883 41.8163 41.8555 41.9344 42.0698 42.1978 42.2429 42.4199 42.6009 42.6863 42.7950 42.9319 43.1568 43.2623 43.4548 43.5294 43.5476 43.7729 43.9323 44.0094 44.0994 44.3126 44.3835 44.5210 44.5479 44.6692 44.8622 44.9511 45.1644 45.2440 45.3553 45.4469 45.6968 45.7667 45.8626 45.9370 46.2511 46.4480 46.5956 46.6461 46.7806 46.8768 47.0388 47.1390 47.3351 47.4137 47.6221 47.7023 47.8457 47.9937 48.0973 48.3598 48.4207 48.6080 48.6977 48.7898 48.8743 49.1061 49.2250 49.2416 49.2615 49.4754 49.5415 49.6908 49.8698 50.3677 50.4994 50.6474 50.7298 50.9874 51.0259 51.1021 51.2945 51.4640 51.6602 51.7381 51.8670 52.0054 52.3750 52.3958 52.6353 52.8076 52.8685 53.0096 53.2766 53.6275 53.7855 53.8800 54.4183 54.4606 54.5478 55.0166 55.1766 55.5129 55.7399 55.7843 55.8556 55.9413 56.1808 56.3270 56.7411 56.7596 56.8901 57.0073 57.2326 57.3224 57.3918 57.6105 57.7207 57.8148 57.9217 58.2972 58.3817 58.4791 58.5936 58.7643 58.9086 59.0217 59.0789 59.4674 59.6289 59.6930 59.9052 60.0401 60.0758 60.2811 60.6972 60.9125 61.0556 61.1398 61.4041 61.5717 61.6766 61.8592 61.9366 62.5784 62.8165 62.8669 63.0799 63.1860 63.5745 63.6928 63.8065 63.9376 64.0595 64.2696 64.2966 64.3745 64.5488 64.7869 64.8302 64.9131 65.1075 65.2936 65.4374 65.5703 65.7052 65.8473 66.0935 66.3407 66.3732 66.4949 66.6165 66.7804 66.9928 67.1371 67.2134 67.2456 67.3903 67.5509 67.8765 67.9988 68.1517 68.2493 68.7125 68.9379 69.0912 69.5333 69.5627 69.7308 70.2045 70.6434 70.7449 71.0710 71.1263 71.3036 71.5142 71.9241 72.0293 72.4711 72.7829 72.9464 73.2377 73.3888 73.6678 73.7857 73.9937 74.1129 74.6373 74.7941 74.9237 74.9425 75.1439 75.6639 75.7695 75.9679 76.0469 76.1819 76.3012 76.5089 76.5484 76.7280 77.0745 77.1544 77.2471 77.2640 77.4340 77.6568 77.7053 77.7866 77.9791 78.2365 78.3070 78.5129 78.6913 78.8995 78.9872 79.0231 79.2072 79.3433 79.4386 79.5289 79.6654 79.7681 79.8684 79.8890 79.9505 80.0355 80.0636 80.1938 80.2564 80.5018 80.5824 80.6541 80.7777 81.0084 81.0605 81.1164 81.1655 81.3312 81.4032 81.6285 81.7045 81.8563 82.0547 82.0946 82.3061 82.4595 82.5018 82.5605 82.7068 82.7240 82.7892 82.9097 83.0063 83.0543 83.1103 83.1926 83.4493 83.5317 83.6384 83.7806 83.8947 83.9359 84.2255 84.4059 84.4714 84.5514 84.7411 84.7708 84.7997 85.0371 85.1176 85.2110 85.2447 85.3286 85.4271 85.5210 85.6898 85.8086 85.8711 85.9936 86.0438 86.2350 86.3950 86.4546 86.6113 86.6785 86.7806 86.9064 86.9636 87.0775 87.3401 87.4836 87.5499 87.5826 87.7009 87.7784 87.8275 88.0609 88.1080 88.1739 88.3062 88.4359 88.5751 88.6236 88.7200 88.7661 88.9534 89.0346 89.1390 89.2027 89.3171 89.5564 89.5591 89.7139 89.7928 89.8446 90.1224 90.1747 90.2698 90.3410 90.4701 90.7211 90.8008 90.9181 91.0347 91.0638 91.2344 91.3384 91.4653 91.5256 91.6677 91.8554 91.9690 92.0167 92.2041 92.3326 92.4344 92.6240 92.7788 92.8942 93.1211 93.1972 93.2681 93.3697 93.4577 93.5849 93.6681 93.7747 93.8472 93.9157 94.2350 94.2644 94.3500 94.5043 94.5410 94.7055 94.7759 94.9315 94.9942 95.1133 95.2769 95.3918 95.4686 95.5456 95.6601 95.8236 96.0220 96.1046 96.2512 96.3177 96.4866 96.6124 96.7509 96.8809 96.9552 97.0255 97.0562 97.2034 97.3067 97.5931 97.7318 97.7718 97.8343 97.9724 98.0774 98.1748 98.3085 98.4637 98.7008 98.8886 99.0491 99.1530 99.2837 99.4400 99.5576 99.6287 99.8213 99.9169 100.0324 100.1496 100.2442 100.3635 100.6436 100.7641 100.7951 100.9692 101.0293 101.2682 101.5059 101.5698 101.6200 101.8424 101.9256 102.0938 102.3272 102.4744 102.6775 102.7499 102.8736 102.9842 103.2144 103.3483 103.4387 103.5765 103.6620 103.7614 104.0023 104.1083 104.4312 104.4878 104.7338 104.9878 105.0722 105.2675 105.4362 105.5171 105.5442 105.6703 105.7848 105.8945 105.9514 106.0427 106.0804 106.2429 106.3488 106.4268 106.5314 106.7749 106.9157 107.0199 107.0970 107.2176 107.4006 107.5325 107.6543 107.7031 107.9560 108.1935 108.3478 108.4788 108.5511 108.6974 108.8007 108.9275 109.1712 109.4301 109.6296 109.7654 109.7986 109.9125 110.1391 110.2019 110.3095 110.5309 110.7679 110.8596 110.9853 111.1885 111.3280 111.5531 111.7743 111.9157 111.9559 112.0352 112.1729 112.4824 112.6523 112.7179 112.8906 113.0063 113.0489 113.3732 113.4849 113.5848 113.6598 113.8201 114.0487 114.0881 114.2181 114.4410 114.4551 114.7629 114.8679 114.8830 115.1349 115.3549 115.5333 115.7018 115.9373 116.2093 116.3639 116.4472 116.6552 116.8393 116.9485 117.1229 117.2117 117.2924 117.4127 117.5289 117.5564 117.6288 117.7450 117.8302 118.1069 118.2940 118.3665 118.4801 118.5996 118.6817 118.7975 118.8948 118.9789 119.0861 119.1880 119.2722 119.5198 119.6081 119.7445 119.8125 119.9097 120.0130 120.0629 120.2965 120.4110 120.6031 120.7293 120.8621 121.1235 121.2615 121.3761 121.9485 122.0743 122.3140 122.3984 122.4122 122.6071 122.8258 123.0550 123.1379 123.4290 123.5912 123.8251 123.9891 124.0972 124.2331 124.8044 125.4116 125.4964 125.7917 125.8184 125.9949 126.2629 126.7854 126.9491 127.2429 127.3199 127.4468 127.9069 127.9883 128.2062 128.4706 128.6759 128.9869 129.1744 129.2561 129.4948 129.6565 129.8879 130.0085 130.0867 130.4143 130.7051 130.7767 130.9145 131.0290 131.2757 131.3747 131.5199 131.6596 131.7972 131.9058 131.9529 131.9785 132.3554 132.4038 132.5787 132.6756 132.8036 132.8928 133.0514 133.1328 133.6251 133.7523 133.9557 134.4815 134.7545 134.9564 134.9934 135.1569 135.3297 135.5811 135.7350 135.9525 136.5007 136.8537 136.9009 137.1437 137.8653 138.0486 138.3434 138.5723 138.6583 138.8301 138.9447 139.1394 139.5714 139.6409 139.7765 139.9773 140.1732 140.3293 140.5719 140.8365 141.0180 141.1517 141.6230 141.9543 142.3202 142.7779 143.1549 143.5330 143.9463 143.9688 144.2595 144.4601 144.6566 144.7736 144.8436 145.0646 145.3975 145.5531 145.7409 145.7979 146.2408 146.3640 146.5333 147.0090 147.0207 147.4002 147.4245 147.9952 148.1353 148.4073 148.4617 148.7696 148.8574 149.1425 149.4384 149.6556 149.8051 150.0732 150.3618 150.6165 150.7165 150.8357 150.9563 151.0530 151.2438 151.5103 151.7967 152.1485 152.3832 152.4483 152.5692 153.0198 153.1105 153.6661 153.9999 154.2988 154.3809 154.8201 154.9439 155.8542 156.0880 156.7113 156.7828 156.8764 157.2454 157.6305 157.8786 157.9233 158.1777 158.6809 158.8426 159.0174 159.3755 159.5384 160.1722 160.4352 160.6356 161.0790 161.6784 162.3811 162.4082 162.6894 164.2171 164.8017 165.3428 165.6464 166.2552 166.7053 166.7221 168.3025 169.6876 169.9453 171.1280 171.1920 171.8727 173.1738 174.1928 175.7967 176.0459 176.4789 176.9595 177.4057 178.0685 178.8928 179.5893 181.0201 181.4156 184.2001 185.8757 186.8137 187.4964 187.7693 187.9593 188.0514 189.0922 189.1407 189.2927 189.4715 189.8571 191.9032 192.3211 192.6840 194.7477 195.5483 195.6284 196.2792 196.7935 197.0740 197.9430 199.2037 200.7156 203.4250 203.6501 205.0630 205.5533 209.9557 212.7185 215.8751 221.6118 222.9357 223.4598 227.2847 229.5293 229.5602 230.2669 235.1214 235.4215 240.7014 241.2057 247.3369 247.4524 248.2029 248.7442 294.9033 297.4855 312.5751 611.5260 615.4703 620.6716 626.2639 629.5171 631.2446 631.7950 631.9950 633.8723 634.6113 634.7605 634.8159 635.2635 635.7861 636.5048 637.1652 637.6691 640.2464 642.6257 643.2779 646.4544 647.9271 654.4110 655.3539 657.9029 712.4004 883.6100 898.8643 905.6856 1197.2324 1198.6785 1208.3514 1562.3067 1563.8390 -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 -0.096929 -0.208146 -0.204893 -0.232850 -0.521706 -0.466961 -0.164082 -0.173396 -0.149711 -0.071515 -0.186391 -0.192590 0.215795 0.036087 -0.213592 -0.217311 -0.154286 -0.151321 0.108006 0.113257 -0.035225 -0.160456 -0.214000 0.174852 -0.201824 -0.208889 0.431981 -0.128985 0.409725 0.316981 0.299547 -0.244884 -0.243372 -0.066484 0.115693 0.104065 0.097874 0.100951 0.095026 0.140320 0.160527 0.145206 0.144742 0.098337 0.110316 0.145585 0.163636 0.145220 0.155103 0.202616 0.198259 0.155051 0.154948 0.170095 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 17.0969 9.2081 9.2049 8.2329 8.5217 8.4670 7.1641 7.1734 7.1497 6.0715 6.1864 6.1926 5.7842 5.9639 6.2136 6.2173 6.1543 6.1513 5.8920 5.8867 6.0352 6.1605 6.2140 5.8251 6.2018 6.2089 5.5680 6.1290 5.5903 5.6830 5.7005 6.2449 6.2434 6.0665 0.8843 0.8959 0.9021 0.8990 0.9050 0.8597 0.8395 0.8548 0.8553 0.9017 0.8897 0.8544 0.8364 0.8548 0.8449 0.7974 0.8017 0.8449 0.8451 0.8299 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 -0.0969 -0.2081 -0.2049 -0.2329 -0.5217 -0.4670 -0.1641 -0.1734 -0.1497 -0.0715 -0.1864 -0.1926 0.2158 0.0361 -0.2136 -0.2173 -0.1543 -0.1513 0.1080 0.1133 -0.0352 -0.1605 -0.2140 0.1749 -0.2018 -0.2089 0.4320 -0.1290 0.4097 0.3170 0.2995 -0.2449 -0.2434 -0.0665 0.1157 0.1041 0.0979 0.1010 0.0950 0.1403 0.1605 0.1452 0.1447 0.0983 0.1103 0.1456 0.1636 0.1452 0.1551 0.2026 0.1983 0.1551 0.1549 0.1701 1.2086 1.0865 1.0931 1.9669 1.9833 2.0430 2.9154 3.2552 3.2174 3.7995 3.9320 3.9108 3.7463 3.5960 4.0330 3.9803 4.0028 3.9942 3.8295 3.8155 3.6770 3.9672 3.9998 3.8175 3.9493 3.9890 4.3026 3.5460 4.0678 3.9274 3.9530 3.9582 3.9572 3.8067 1.0071 1.0067 1.0162 1.0138 1.0140 1.0227 0.9928 1.0063 1.0065 1.0176 0.9920 0.9995 0.9976 1.0066 1.0331 1.0364 1.0050 0.9999 0.9997 0.9834 1.2086 1.0865 1.0931 1.9669 1.9833 2.0430 2.9154 3.2552 3.2174 3.7995 3.9320 3.9108 3.7463 3.5960 4.0330 3.9803 4.0028 3.9942 3.8295 3.8155 3.6770 3.9672 3.9998 3.8175 3.9493 3.9890 4.3026 3.5460 4.0678 3.9274 3.9530 3.9582 3.9572 3.8067 1.0071 1.0067 1.0162 1.0138 1.0140 1.0227 0.9928 1.0063 1.0065 1.0176 0.9920 0.9995 0.9976 1.0066 1.0331 1.0364 1.0050 0.9999 0.9997 0.9834 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9984 1.0401 1.0512 0.8907 0.9276 1.8694 1.8619 1.8905 1.0223 1.2589 0.9184 1.0612 1.2060 0.9333 0.9453 0.9156 0.9336 0.9907 0.9450 1.0035 1.0089 1.0075 1.0058 0.9458 1.3531 1.3316 1.4865 0.9774 1.4701 0.9854 1.3671 0.9810 1.3737 0.9808 0.9256 1.0160 0.9694 1.3754 1.3789 1.4849 0.9931 1.4987 0.9615 1.3492 1.3799 0.9823 0.9558 0.9037 1.3275 1.3209 1.4577 1.4640 1.3822 0.9831 1.3764 0.9825 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 -0.025404082 -2014.677279752608 20.81374 -23.23635 -2.42261 -18.53807 18.43105 -0.10702 9.30041 -8.69602 0.60439 2.49915 6.35235