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:-3.4777,-1.3573,-5.3469;4.964,-2.1958,1.641;6.2372,2.2693,1.0737;-4.8047,1.2184,.289;2.232,2.2688,-1.02;3.3818,.0859,2.2917;-4.8144,.1256,1.1259;1.437,1.3661,.9235;3.6661,1.1363,.2922;-4.6883,-2.1958,1.3427;-5.1426,-3.5237,.8003;-3.7015,-3.3076,1.0975;-4.65,-.9769,.5112;-4.3741,-1.0731,-.9437;-5.3737,-1.4229,-1.8432;-3.0942,-.803,-1.42;-5.1045,-1.5108,-3.2013;-2.8113,-.8892,-2.7734;-3.8227,-1.2443,-3.6529;-4.1877,2.317,.9493;-2.6957,2.1592,.9714;-1.9135,2.6423,-.0698;-2.0617,1.4357,1.9781;.0756,1.6799,.8765;-.5445,2.4215,-.1287;-.7011,1.1969,1.9331;2.3854,1.6418,.0086;5.5406,.0514,1.3411;4.0973,.4251,1.3691;5.9202,-1.2746,1.5188;6.5644,.9814,1.2148;7.2392,-1.6726,1.5476;7.8978,.6324,1.2497;8.2239,-.705,1.4136;-4.9322,-1.995,2.3792;-5.4445,-3.5873,-.2371;-5.723,-4.1443,1.4706;-3.2714,-3.779,1.9716;-3.0194,-3.2068,.2623;-6.3772,-1.6259,-1.4912;-2.305,-.5256,-.7319;-5.8899,-1.783,-3.8934;-1.8129,-.6798,-3.1334;-4.4769,3.1974,.3732;-4.5933,2.4243,1.9601;-2.3769,3.2118,-.8672;-2.6356,1.0444,2.8093;.0144,2.827,-.9557;-.2337,.6235,2.7258;1.7381,.8209,1.7259;4.3292,1.3231,-.4501;7.4905,-2.7172,1.6728;8.6626,1.3915,1.1549;9.2642,-.9992,1.4387; 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 3421.8138712078 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 6.048e-06 Time for diagonalization 0.416 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.387 sec Total time needed 0.814 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:-3.4777,-1.3573,-5.3469;4.964,-2.1958,1.641;6.2372,2.2693,1.0737;-4.8047,1.2184,.289;2.232,2.2688,-1.02;3.3818,.0859,2.2917;-4.8144,.1256,1.1259;1.437,1.3661,.9235;3.6661,1.1363,.2922;-4.6883,-2.1958,1.3427;-5.1426,-3.5237,.8002;-3.7015,-3.3076,1.0975;-4.65,-.9769,.5112;-4.3741,-1.0731,-.9437;-5.3737,-1.4229,-1.8432;-3.0942,-.803,-1.42;-5.1045,-1.5108,-3.2013;-2.8113,-.8892,-2.7734;-3.8227,-1.2443,-3.6529;-4.1877,2.317,.9493;-2.6957,2.1592,.9714;-1.9135,2.6423,-.0698;-2.0617,1.4357,1.9781;.0756,1.6799,.8765;-.5445,2.4215,-.1287;-.7011,1.1969,1.9331;2.3854,1.6418,.0086;5.5406,.0514,1.3411;4.0973,.4251,1.3691;5.9202,-1.2746,1.5188;6.5644,.9814,1.2148;7.2392,-1.6726,1.5476;7.8978,.6324,1.2497;8.2239,-.705,1.4136;-4.9322,-1.995,2.3792;-5.4445,-3.5873,-.2371;-5.723,-4.1443,1.4706;-3.2714,-3.779,1.9716;-3.0194,-3.2068,.2623;-6.3772,-1.6259,-1.4912;-2.305,-.5256,-.7319;-5.8899,-1.783,-3.8934;-1.8129,-.6798,-3.1334;-4.4769,3.1974,.3732;-4.5933,2.4243,1.9601;-2.3769,3.2118,-.8672;-2.6356,1.0444,2.8093;.0144,2.827,-.9557;-.2337,.6235,2.7258;1.7381,.8209,1.7259;4.3292,1.3231,-.4501;7.4905,-2.7172,1.6728;8.6626,1.3915,1.1549;9.2642,-.9992,1.4387; 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:-3.4777,-1.3573,-5.3469;4.964,-2.1958,1.641;6.2372,2.2693,1.0737;-4.8047,1.2184,.289;2.232,2.2688,-1.02;3.3818,.0859,2.2917;-4.8144,.1256,1.1259;1.437,1.3661,.9235;3.6661,1.1363,.2922;-4.6883,-2.1958,1.3427;-5.1426,-3.5237,.8003;-3.7015,-3.3076,1.0975;-4.65,-.9769,.5112;-4.3741,-1.0731,-.9437;-5.3737,-1.4229,-1.8432;-3.0942,-.803,-1.42;-5.1045,-1.5108,-3.2013;-2.8113,-.8892,-2.7734;-3.8227,-1.2443,-3.6529;-4.1877,2.317,.9493;-2.6957,2.1592,.9714;-1.9135,2.6423,-.0698;-2.0617,1.4357,1.9781;.0756,1.6799,.8765;-.5445,2.4215,-.1287;-.7011,1.1969,1.9331;2.3854,1.6418,.0086;5.5406,.0514,1.3411;4.0973,.4251,1.3691;5.9202,-1.2746,1.5188;6.5644,.9814,1.2148;7.2392,-1.6726,1.5476;7.8978,.6324,1.2497;8.2239,-.705,1.4136;-4.9322,-1.995,2.3792;-5.4445,-3.5873,-.2371;-5.723,-4.1443,1.4706;-3.2714,-3.779,1.9716;-3.0194,-3.2068,.2623;-6.3772,-1.6259,-1.4912;-2.305,-.5256,-.7319;-5.8899,-1.783,-3.8934;-1.8129,-.6798,-3.1334;-4.4769,3.1974,.3732;-4.5933,2.4243,1.9601;-2.3769,3.2118,-.8672;-2.6356,1.0444,2.8093;.0144,2.827,-.9557;-.2337,.6235,2.7258;1.7381,.8209,1.7259;4.3292,1.3231,-.4501;7.4905,-2.7172,1.6728;8.6626,1.3915,1.1549;9.2642,-.9992,1.4387; 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 3105 GEPOL Volume 3217.5289 GEPOL Surface-area 1777.8619 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2014.66375522 3421.81387121 -5436.47762643 -9563.33343084 4126.85580441 -0.04080430 -4022.31909293 2007.65533771 2.00349085 124.999949019189 124.999949019189 249.999898038378 -167.130567752818 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 -2765.2818 -675.3182 -675.2450 -524.4134 -523.5189 -522.9315 -394.0510 -393.6586 -393.6242 -283.9118 -283.7298 -282.7691 -282.7410 -281.5366 -281.2279 -281.0531 -280.8830 -280.7675 -280.4356 -280.3048 -280.1393 -280.1271 -280.0717 -280.0626 -280.0548 -280.0537 -280.0467 -279.7887 -279.7772 -279.7678 -279.7572 -279.6946 -279.6888 -279.6778 -260.5550 -199.3875 -199.1562 -199.1480 -37.2664 -37.2098 -33.0936 -32.9993 -32.3214 -29.4049 -28.9118 -27.9312 -27.5524 -27.4835 -26.6914 -26.3874 -26.0773 -24.8425 -24.1263 -24.1117 -23.9220 -23.6559 -23.4480 -22.3031 -21.6714 -20.7561 -20.6052 -20.2988 -20.1993 -20.0366 -19.7020 -19.3906 -19.3485 -18.8690 -18.6414 -18.2488 -18.1189 -17.8308 -17.4887 -17.3399 -17.1077 -16.7050 -16.5661 -16.4602 -16.2004 -16.1151 -16.0856 -15.9787 -15.9218 -15.7828 -15.6202 -15.4096 -15.2449 -15.2275 -15.0238 -14.8368 -14.7646 -14.5359 -14.4626 -14.4261 -14.1089 -13.8607 -13.6955 -13.6685 -13.4001 -13.2709 -13.2147 -13.0033 -12.9354 -12.8649 -12.7337 -12.4641 -12.3254 -12.1877 -11.9269 -11.8180 -11.4234 -11.2650 -11.2162 -11.0402 -10.8774 -10.8068 -10.5351 -10.1154 -9.8444 -9.6769 -9.5070 -9.4453 -9.2149 -8.8898 -8.4590 0.4009 1.2211 1.3305 1.4128 1.5849 1.6343 2.1652 2.3270 2.9813 3.3220 3.5895 3.8098 3.9226 4.0038 4.1047 4.2007 4.2957 4.3617 4.4723 4.7494 4.8559 4.9024 5.0458 5.0695 5.1297 5.2347 5.3429 5.5030 5.5870 5.6810 5.7296 5.7946 5.9322 5.9887 6.1269 6.1888 6.2787 6.3229 6.4911 6.5505 6.6292 6.7260 6.8630 7.0023 7.0338 7.1489 7.3288 7.3869 7.5323 7.5838 7.6516 7.7077 7.8422 7.9957 8.1308 8.1760 8.3269 8.3648 8.3904 8.4229 8.5300 8.6173 8.7146 8.7886 8.9498 9.0766 9.1210 9.3035 9.3762 9.4959 9.5472 9.6082 9.7574 9.8554 9.9239 10.1030 10.1117 10.1874 10.2335 10.2889 10.3481 10.5293 10.5937 10.6757 10.7884 10.9490 10.9883 11.0706 11.1758 11.3155 11.3773 11.3995 11.4677 11.5357 11.6137 11.6914 11.7271 11.8022 11.9130 12.0156 12.0396 12.1897 12.2072 12.2378 12.3409 12.3554 12.4254 12.5787 12.6322 12.6626 12.6932 12.8272 12.9526 13.0476 13.0926 13.1394 13.2657 13.3294 13.4306 13.4536 13.5644 13.6476 13.7742 13.7798 13.8966 13.9494 14.0192 14.1229 14.2193 14.2612 14.3194 14.4001 14.4934 14.5930 14.7021 14.7915 14.8220 14.8878 15.1036 15.1407 15.2665 15.3653 15.3928 15.4415 15.6057 15.6352 15.7484 15.7873 15.8794 15.9331 16.0714 16.1765 16.3000 16.3794 16.4553 16.5119 16.6236 16.6620 16.8193 16.9497 17.0401 17.1263 17.2878 17.3341 17.4514 17.5197 17.6821 17.7056 17.8670 17.8968 18.0102 18.1060 18.1494 18.3510 18.4405 18.5488 18.5780 18.6543 18.8263 18.9398 19.1195 19.2698 19.4208 19.5645 19.7065 19.8353 20.0020 20.1183 20.2021 20.2537 20.2787 20.3438 20.4329 20.6234 20.6786 20.7720 20.9641 21.1125 21.1846 21.2800 21.3969 21.5081 21.6554 21.6631 21.6908 21.8590 21.9826 22.0481 22.2225 22.2631 22.3321 22.4338 22.5689 22.6483 22.7132 22.8772 23.0344 23.0624 23.2191 23.2784 23.4426 23.5906 23.6842 23.7146 23.8159 24.0815 24.2418 24.4066 24.6374 24.6941 24.8597 24.8785 25.0661 25.1276 25.2368 25.3012 25.4929 25.5984 25.6448 25.7275 25.7866 25.9650 26.1107 26.2178 26.2950 26.4279 26.5527 26.6682 26.8372 26.8895 27.0793 27.2461 27.3342 27.4727 27.5826 27.6467 27.6889 27.7765 27.9075 28.0216 28.0966 28.1492 28.4569 28.5436 28.5952 28.6491 28.8528 28.8622 28.9944 29.0324 29.1368 29.2259 29.3506 29.4707 29.5651 29.7063 29.8736 29.9423 30.0897 30.1704 30.4452 30.5209 30.6415 30.8794 30.9986 31.0865 31.1494 31.2104 31.4221 31.4653 31.6180 31.7737 31.9008 31.9680 32.0985 32.1137 32.2652 32.3957 32.5125 32.6742 32.8184 32.9965 33.2477 33.3646 33.5120 33.6787 33.7742 33.9619 34.1379 34.3025 34.3592 34.4892 34.5559 34.6661 34.9323 34.9594 35.0982 35.3429 35.3973 35.5148 35.5553 35.6434 35.8572 35.8988 36.0194 36.1970 36.3014 36.4308 36.5603 36.6784 36.8255 36.9792 37.1181 37.1941 37.2858 37.3764 37.4100 37.4888 37.6508 37.7206 37.7963 37.9467 38.0216 38.1958 38.2803 38.3162 38.5074 38.5491 38.7223 38.8039 39.0049 39.0599 39.3063 39.3634 39.4479 39.6879 39.7690 39.8139 39.9587 40.0464 40.1496 40.3013 40.3577 40.3817 40.5034 40.6489 40.8057 40.9664 41.1804 41.3076 41.3700 41.4492 41.5593 41.6515 41.8279 41.9035 41.9696 42.1930 42.4685 42.6372 42.6831 42.7594 42.8177 42.8499 43.2058 43.3020 43.3529 43.5409 43.5746 43.8405 43.9124 43.9885 43.9974 44.3792 44.5013 44.6540 44.7012 44.7522 44.8502 44.9896 45.1572 45.2151 45.2403 45.4943 45.7330 45.8110 45.9791 46.1480 46.2557 46.3993 46.5795 46.6555 46.7538 46.8119 46.9412 46.9985 47.2033 47.2614 47.5176 47.5818 47.7655 47.8293 48.0800 48.2549 48.2987 48.6806 48.7375 48.7893 48.8086 49.0865 49.1575 49.2083 49.2714 49.5576 49.6132 49.8174 50.0489 50.3277 50.3875 50.5348 50.6359 50.8554 51.0857 51.2811 51.4569 51.6083 51.7075 51.7518 51.8191 52.0066 52.3155 52.5861 52.6695 52.7741 52.9445 53.0363 53.1752 53.4423 53.4855 53.6245 53.7793 53.9425 54.1358 54.3729 54.4454 54.5547 54.9114 55.0570 55.4456 55.7116 55.9886 56.1195 56.3652 56.5042 56.7277 56.8672 56.9620 57.1393 57.2065 57.4067 57.5534 57.6222 57.7684 57.8643 57.9749 58.1220 58.2475 58.4780 58.5758 58.7521 59.0573 59.2402 59.4630 59.5433 59.7227 59.8172 59.9401 59.9722 60.0034 60.2601 60.6074 60.8996 61.1563 61.3800 61.5138 61.5594 61.6652 61.8966 62.0473 62.1881 62.6428 62.9129 62.9700 63.3685 63.4410 63.7390 63.8409 64.0115 64.0533 64.2011 64.2734 64.3109 64.4832 64.6162 64.6379 64.7394 64.8651 64.9829 65.1966 65.3974 65.9513 65.9633 66.0334 66.2514 66.4432 66.5465 66.7781 66.9635 67.0414 67.1651 67.3201 67.3994 67.6748 67.8681 68.0985 68.1677 68.4531 68.5583 68.6589 68.8089 69.2572 69.5602 69.8586 69.9685 70.2577 70.6472 70.7374 70.8667 71.0598 71.5421 71.6008 71.7574 72.0627 72.1980 72.9007 73.1170 73.3204 73.3720 73.7459 73.9565 74.2342 74.2783 74.4187 74.6403 74.9036 75.0194 75.1756 75.5220 75.7871 75.9155 75.9630 76.1918 76.3042 76.4897 76.6806 76.7480 76.9153 77.1757 77.3282 77.4739 77.6803 77.7073 77.7730 77.8312 77.9625 78.1131 78.1728 78.3889 78.6439 78.7327 78.8065 78.8705 79.1242 79.2209 79.3508 79.4961 79.6359 79.6875 79.7354 79.8322 79.9091 80.0074 80.0556 80.0710 80.1281 80.3403 80.5289 80.6020 80.7469 80.8826 81.0237 81.1767 81.2444 81.3960 81.4509 81.5430 81.5589 81.8758 81.9024 82.1305 82.3309 82.5019 82.6156 82.6985 82.7194 82.7890 82.8549 82.9329 83.1040 83.1730 83.3309 83.3668 83.5257 83.6618 83.8854 83.9049 83.9789 84.2317 84.3562 84.4647 84.5782 84.7652 84.8425 84.9472 85.1406 85.1849 85.2057 85.3430 85.3748 85.4883 85.6753 85.7756 85.8724 85.9286 86.0349 86.1421 86.2988 86.3815 86.4909 86.5771 86.6166 86.7162 86.7919 86.9730 87.1071 87.2035 87.3959 87.5118 87.6060 87.7102 87.7664 88.0483 88.1669 88.1923 88.2896 88.5036 88.5547 88.5608 88.6407 88.8306 88.8787 88.9497 89.0074 89.1799 89.3092 89.3380 89.4594 89.6487 89.7116 89.8813 89.9654 90.1484 90.3349 90.3700 90.5049 90.7928 90.8612 90.9396 90.9823 91.0723 91.2233 91.3789 91.4700 91.5986 91.7165 91.7820 91.9600 91.9968 92.2570 92.4188 92.5060 92.5783 92.6775 92.9467 92.9610 93.0469 93.1601 93.3512 93.3999 93.5901 93.6304 93.7634 93.8009 93.8806 94.0556 94.1399 94.2197 94.3121 94.3832 94.5229 94.6013 94.7142 94.8166 94.9627 95.0296 95.0643 95.2621 95.4273 95.5689 95.6658 95.8892 95.9460 96.1030 96.1399 96.3071 96.5014 96.6612 96.8075 96.8374 96.9799 97.0278 97.1746 97.2504 97.3480 97.5277 97.6098 97.7191 97.8549 97.9861 98.1004 98.2011 98.4002 98.6150 98.6735 98.8191 99.0298 99.0931 99.2337 99.3158 99.4577 99.5408 99.6137 99.9070 99.9800 100.0657 100.1749 100.2511 100.3255 100.4579 100.6379 100.7889 100.8926 100.9267 101.0042 101.4121 101.4715 101.6543 101.7479 101.9390 102.1690 102.2100 102.5032 102.6015 102.6631 102.7858 103.1771 103.2410 103.3597 103.5067 103.6676 103.8112 104.1076 104.1374 104.2552 104.6422 104.8012 104.8404 105.0791 105.1833 105.2293 105.3481 105.4400 105.5465 105.6077 105.7748 105.8098 105.9800 106.0970 106.1420 106.2315 106.2773 106.3276 106.4105 106.5973 106.6785 106.8925 107.0955 107.2565 107.4506 107.5103 107.5338 107.8530 107.9154 108.1461 108.2821 108.3970 108.5017 108.6934 108.8296 108.9532 109.0783 109.3911 109.6053 109.6207 109.8056 110.0521 110.1956 110.3045 110.4159 110.4826 110.7183 110.8029 110.8702 111.0112 111.1109 111.3874 111.5744 111.7121 111.9639 112.1048 112.1902 112.2665 112.4042 112.7077 112.8470 113.0835 113.2087 113.4133 113.4488 113.6353 113.7140 113.8797 114.0288 114.0335 114.3243 114.6040 114.7514 114.8823 115.0389 115.0983 115.4607 115.5621 115.6550 115.9530 116.0868 116.2974 116.3891 116.5420 116.5890 116.7730 116.8489 116.9388 117.1346 117.1857 117.2923 117.3287 117.4223 117.5456 117.7175 117.8028 117.9217 118.0124 118.1259 118.1819 118.3434 118.4355 118.5544 118.6187 118.7471 119.0239 119.0989 119.2358 119.3990 119.5708 119.6118 119.8087 119.8237 119.9951 120.1599 120.2345 120.4262 120.8001 120.8949 120.9839 121.1283 121.4253 121.5645 121.6227 121.8543 121.9815 122.2860 122.4902 122.6383 122.6883 122.9073 123.1617 123.2411 123.6902 123.7631 124.0996 124.2302 124.9788 125.2835 125.5186 125.8175 125.9255 126.1126 126.3016 126.3676 126.7807 127.1692 127.3391 127.5169 127.7924 127.9887 128.2654 128.4645 128.5677 128.8465 129.0457 129.1829 129.2199 129.3005 129.7591 129.8094 129.8277 130.0129 130.0406 130.3888 130.4698 130.6814 130.7462 130.9766 131.1831 131.2718 131.5051 131.7530 131.7822 132.0025 132.0580 132.1714 132.2474 132.3712 132.7047 132.7422 132.8546 132.9951 133.1456 133.4490 133.6845 133.9774 134.4159 134.4592 134.7092 134.8273 135.0888 135.1236 135.4518 135.7954 136.2608 136.4373 136.5962 137.3858 137.6980 138.1083 138.3512 138.5084 138.5377 138.6585 138.7210 139.1883 139.3513 139.4917 139.6362 139.8992 140.2282 140.3206 140.4461 140.6194 140.8506 141.0943 141.1346 141.5312 141.9393 142.1635 143.4060 143.6236 143.7270 143.8769 144.1719 144.4059 144.4305 144.6009 144.6874 144.8459 144.9422 145.2444 145.4282 145.7216 146.1295 146.4053 146.6098 146.6777 146.8878 147.0097 147.3666 147.6213 147.8781 148.2835 148.4038 148.5973 148.7746 148.8157 149.2220 149.4702 149.6355 149.8206 149.9189 150.0968 150.1704 150.6301 150.8735 151.0925 151.1254 151.4738 151.7189 151.8958 152.0474 152.4586 152.5529 152.7410 152.8485 153.1152 153.7484 154.1334 154.2483 154.4249 154.7359 155.6081 155.7025 156.1525 156.6126 156.7916 157.0966 157.6134 157.6483 157.8222 158.0364 158.2973 158.6645 159.1605 159.3711 159.6286 160.1498 160.4866 160.5922 160.7051 161.4294 162.0409 162.2254 162.4313 163.5698 164.1995 164.4834 165.6963 166.2367 166.3699 166.6522 166.8526 169.4124 170.0077 170.1043 170.3103 171.3374 171.7146 173.2734 174.5185 175.8301 176.2290 176.4609 177.1768 177.4676 178.2577 178.3876 179.0676 179.2832 181.5880 184.4779 186.0433 186.5673 187.4514 187.9766 188.0835 188.2146 189.1094 189.1880 189.2930 189.6692 189.8249 192.2994 192.3857 192.6744 194.9228 195.5065 195.6530 196.0104 196.5194 197.3472 198.2397 199.1910 200.6871 201.8130 203.6770 204.9534 205.5701 209.9454 212.8483 215.4106 221.6488 223.0329 223.4905 227.2660 229.5245 229.6052 230.2824 235.0721 235.3931 240.6906 241.2071 247.3214 247.4732 248.1335 248.8029 294.9462 297.4953 312.6275 611.5498 616.3861 622.2864 626.1027 629.4123 630.6273 631.1586 632.1570 633.5215 634.1301 634.8017 634.9253 634.9474 636.1859 637.4029 637.7651 638.1765 639.1355 640.9527 643.2794 645.6773 648.3042 654.3700 656.1992 657.9414 712.2754 883.9660 898.8844 905.8552 1197.4113 1198.9251 1208.5262 1562.4429 1563.8285 -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 -0.095176 -0.200550 -0.206129 -0.243331 -0.493157 -0.448268 -0.158865 -0.173413 -0.154604 -0.065394 -0.161106 -0.169411 0.215216 0.086048 -0.239577 -0.278564 -0.134376 -0.122065 0.084318 0.096405 -0.076022 -0.165756 -0.133744 0.194951 -0.215675 -0.211687 0.418301 -0.128174 0.401895 0.295918 0.309089 -0.238285 -0.241500 -0.063332 0.084531 0.095886 0.101070 0.099346 0.098017 0.155970 0.151654 0.143257 0.142548 0.106611 0.098992 0.139914 0.137752 0.156824 0.139901 0.200062 0.191735 0.152419 0.152535 0.166997 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 17.0952 9.2005 9.2061 8.2433 8.4932 8.4483 7.1589 7.1734 7.1546 6.0654 6.1611 6.1694 5.7848 5.9140 6.2396 6.2786 6.1344 6.1221 5.9157 5.9036 6.0760 6.1658 6.1337 5.8050 6.2157 6.2117 5.5817 6.1282 5.5981 5.7041 5.6909 6.2383 6.2415 6.0633 0.9155 0.9041 0.8989 0.9007 0.9020 0.8440 0.8483 0.8567 0.8575 0.8934 0.9010 0.8601 0.8622 0.8432 0.8601 0.7999 0.8083 0.8476 0.8475 0.8330 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 -0.0952 -0.2005 -0.2061 -0.2433 -0.4932 -0.4483 -0.1589 -0.1734 -0.1546 -0.0654 -0.1611 -0.1694 0.2152 0.0860 -0.2396 -0.2786 -0.1344 -0.1221 0.0843 0.0964 -0.0760 -0.1658 -0.1337 0.1950 -0.2157 -0.2117 0.4183 -0.1282 0.4019 0.2959 0.3091 -0.2383 -0.2415 -0.0633 0.0845 0.0959 0.1011 0.0993 0.0980 0.1560 0.1517 0.1433 0.1425 0.1066 0.0990 0.1399 0.1378 0.1568 0.1399 0.2001 0.1917 0.1524 0.1525 0.1670 1.2096 1.0987 1.0889 1.9155 2.0190 2.0652 2.8910 3.2487 3.2150 3.8543 3.9005 3.8881 3.7155 3.4486 4.0037 4.0111 3.9720 3.9714 3.8496 3.8529 3.6147 3.9660 3.8970 3.8043 3.9567 3.9668 4.3173 3.5463 4.0773 3.9604 3.9306 3.9565 3.9589 3.8125 1.0349 1.0162 1.0168 1.0176 1.0147 1.0005 0.9963 1.0052 1.0061 0.9950 1.0141 1.0049 1.0189 1.0304 1.0090 1.0410 1.0100 1.0009 1.0011 0.9848 1.2096 1.0987 1.0889 1.9155 2.0190 2.0652 2.8910 3.2487 3.2150 3.8543 3.9005 3.8881 3.7155 3.4486 4.0037 4.0111 3.9720 3.9714 3.8496 3.8529 3.6147 3.9660 3.8970 3.8043 3.9567 3.9668 4.3173 3.5463 4.0773 3.9604 3.9306 3.9565 3.9589 3.8125 1.0349 1.0162 1.0168 1.0176 1.0147 1.0005 0.9963 1.0052 1.0061 0.9950 1.0141 1.0049 1.0189 1.0304 1.0090 1.0410 1.0100 1.0009 1.0011 0.9848 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 1.0030 1.0587 1.0391 0.8597 0.9459 1.9020 1.8808 1.8997 1.0321 1.2463 0.9179 1.0573 1.2010 0.9372 0.9285 0.9034 1.0290 1.0085 0.9396 0.9972 1.0068 1.0051 1.0023 0.8142 1.3247 1.3145 1.4593 0.9969 1.4692 0.9945 1.3799 0.9820 1.3683 0.9818 0.9299 0.9906 1.0147 1.3679 1.3184 1.4793 0.9999 1.4964 0.9984 1.3781 1.3351 0.9576 0.9828 0.9087 1.3180 1.3263 1.4645 1.4599 1.3776 0.9820 1.3831 0.9826 0.9658 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 -0.027607253 -2014.691362473442 -26.00595 28.53215 2.52619 -5.94248 4.55759 -1.38489 12.33774 -11.46486 0.87288 3.01023 7.65139