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 F O O N N N N N N N 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 H H H H H H H H H H H H H H H H 1 2 2 2 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 528.7494095999997 AuxInfo=1/0/N:29,38,35,32,34,26,27,20,36,21,23,28,18,24,31,17,19,25,30,22,33,37,1,2,3,4,16,14,11,8,15,9,12,13,10,7,6,5/E:(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.2,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,27.1,29.2,31.2,32.2,33.2,34.2,37.1,38.1/rA:54nClFFFO1O1NNN2NN2N2N2NN2N1C3C3C3C3CC3C3C3C3C3C3C3CC3C3C3C3C3C3C2CCHHHHHHHHHHHHHHHH/rB:;;;;;;;s7;;;s10;s10;;s13;;s7;s9;s8;s17s18;s10s18;s5s8s17;s19;s19;s7s11;s23;s24;s26s27;s23;s6s14s24;s1s25;s31;s12s15;s11;s32s34;s16s28;s2s3s4s33;s14;s20;s21;s21;s8;s26;s27;s29;s29;s29;s32;s14;s34;s35;s38;s38;s38;/rC:1.6566,2.8523,.2829;-4.7338,4.0724,.2469;-5.9096,2.868,-1.1073;-6.6689,3.3519,.8461;2.6695,-.5399,.5094;-.6232,-2.9384,-1.924;.6042,.6621,2.0761;1.1613,-.8766,-1.1551;-.5022,.7998,2.7915;-3.7956,.5402,1.8003;2.2555,.925,3.6777;-4.0019,1.8149,1.635;-4.5228,-.2191,1.0305;.5762,-4.7633,-1.3771;-5.2565,.5694,.3216;5.2697,-4.3401,-5.2458;.4073,-.0992,.968;-1.4267,.1102,2.1569;2.0269,-1.5699,-2.0236;-.9116,-.4803,.9915;-2.803,.0026,2.716;1.5261,-.5115,.0945;3.1662,-.9461,-2.541;1.7166,-2.8957,-2.3579;1.7822,1.314,2.5163;3.9995,-1.6884,-3.3705;2.5528,-3.6114,-3.196;3.7017,-3.0057,-3.6945;3.493,.489,-2.2709;.4516,-3.5281,-1.8627;2.3548,2.3359,1.7681;3.4957,2.9489,2.2557;-4.9248,1.8026,.7054;3.339,1.52,4.1552;3.9994,2.5299,3.475;4.5667,-3.7415,-4.5577;-5.5638,3.0364,.1664;-.5583,-5.5212,-.9031;-1.4246,-1.1288,.2979;-2.8808,.5485,3.6541;-3.0802,-1.0349,2.896;.175,-.9308,-1.3721;4.8844,-1.2227,-3.7851;2.316,-4.6295,-3.4763;4.0894,.6016,-1.3653;4.0702,.9049,-3.0958;2.5946,1.0928,-2.1533;3.973,3.745,1.7004;1.4943,-5.1684,-1.2867;3.696,1.1748,5.1174;4.8869,2.9852,3.8913;-1.0461,-5.0314,-.0595;-.2073,-6.4954,-.576;-1.2972,-5.6697,-1.6903; 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 2040 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 278 Dim 1413 ENuc 4305.0698783674 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 3.901e-06 Time for diagonalization 0.960 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.916 sec Total time needed 1.901 sec 17 9 9 9 8 8 7 7 7 7 7 7 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 528.7494095999997 AuxInfo=1/0/N:29,38,35,32,34,26,27,20,36,21,23,28,18,24,31,17,19,25,30,22,33,37,1,2,3,4,16,14,11,8,15,9,12,13,10,7,6,5/E:(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.2,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,27.1,29.2,31.2,32.2,33.2,34.2,37.1,38.1/rA:54nClFFFO1O1NNN2NN2N2N2NN2N1C3C3C3C3CC3C3C3C3C3C3C3CC3C3C3C3C3C3C2CCHHHHHHHHHHHHHHHH/rB:;;;;;;;s7;;;s10;s10;;s13;;s7;s9;s8;s17s18;s10s18;s5s8s17;s19;s19;s7s11;s23;s24;s26s27;s23;s6s14s24;s1s25;s31;s12s15;s11;s32s34;s16s28;s2s3s4s33;s14;s20;s21;s21;s8;s26;s27;s29;s29;s29;s32;s14;s34;s35;s38;s38;s38;/rC:1.6566,2.8523,.2829;-4.7338,4.0724,.2469;-5.9096,2.868,-1.1073;-6.6689,3.3518,.8461;2.6695,-.5399,.5094;-.6232,-2.9384,-1.924;.6042,.6621,2.0761;1.1613,-.8766,-1.1551;-.5022,.7998,2.7915;-3.7956,.5402,1.8003;2.2555,.925,3.6777;-4.0019,1.8149,1.635;-4.5228,-.2191,1.0305;.5762,-4.7633,-1.3771;-5.2565,.5694,.3216;5.2697,-4.3401,-5.2458;.4073,-.0992,.968;-1.4267,.1102,2.1569;2.0269,-1.5699,-2.0236;-.9116,-.4803,.9915;-2.803,.0026,2.716;1.5261,-.5115,.0945;3.1662,-.9461,-2.541;1.7166,-2.8957,-2.3579;1.7822,1.314,2.5163;3.9995,-1.6884,-3.3705;2.5528,-3.6114,-3.196;3.7017,-3.0057,-3.6945;3.493,.489,-2.2709;.4516,-3.5281,-1.8627;2.3548,2.3359,1.7681;3.4957,2.9489,2.2557;-4.9248,1.8026,.7054;3.339,1.52,4.1552;3.9994,2.5298,3.475;4.5667,-3.7415,-4.5577;-5.5638,3.0364,.1664;-.5583,-5.5212,-.9031;-1.4246,-1.1288,.2979;-2.8808,.5485,3.6541;-3.0802,-1.0349,2.896;.175,-.9308,-1.3721;4.8844,-1.2227,-3.7851;2.316,-4.6295,-3.4763;4.0894,.6016,-1.3653;4.0702,.9049,-3.0958;2.5946,1.0928,-2.1533;3.973,3.745,1.7004;1.4943,-5.1683,-1.2867;3.696,1.1748,5.1174;4.8869,2.9852,3.8913;-1.0461,-5.0314,-.0595;-.2073,-6.4954,-.576;-1.2972,-5.6697,-1.6903; 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" 528.7494095999997 AuxInfo=1/0/N:29,38,35,32,34,26,27,20,36,21,23,28,18,24,31,17,19,25,30,22,33,37,1,2,3,4,16,14,11,8,15,9,12,13,10,7,6,5/E:(24,25,26)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.2,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,27.1,29.2,31.2,32.2,33.2,34.2,37.1,38.1/rA:54nClFFFO1O1NNN2NN2N2N2NN2N1C3C3C3C3CC3C3C3C3C3C3C3CC3C3C3C3C3C3C2CCHHHHHHHHHHHHHHHH/rB:;;;;;;;s7;;;s10;s10;;s13;;s7;s9;s8;s17s18;s10s18;s5s8s17;s19;s19;s7s11;s23;s24;s26s27;s23;s6s14s24;s1s25;s31;s12s15;s11;s32s34;s16s28;s2s3s4s33;s14;s20;s21;s21;s8;s26;s27;s29;s29;s29;s32;s14;s34;s35;s38;s38;s38;/rC:1.6566,2.8523,.2829;-4.7338,4.0724,.2469;-5.9096,2.868,-1.1073;-6.6689,3.3519,.8461;2.6695,-.5399,.5094;-.6232,-2.9384,-1.924;.6042,.6621,2.0761;1.1613,-.8766,-1.1551;-.5022,.7998,2.7915;-3.7956,.5402,1.8003;2.2555,.925,3.6777;-4.0019,1.8149,1.635;-4.5228,-.2191,1.0305;.5762,-4.7633,-1.3771;-5.2565,.5694,.3216;5.2697,-4.3401,-5.2458;.4073,-.0992,.968;-1.4267,.1102,2.1569;2.0269,-1.5699,-2.0236;-.9116,-.4803,.9915;-2.803,.0026,2.716;1.5261,-.5115,.0945;3.1662,-.9461,-2.541;1.7166,-2.8957,-2.3579;1.7822,1.314,2.5163;3.9995,-1.6884,-3.3705;2.5528,-3.6114,-3.196;3.7017,-3.0057,-3.6945;3.493,.489,-2.2709;.4516,-3.5281,-1.8627;2.3548,2.3359,1.7681;3.4957,2.9489,2.2557;-4.9248,1.8026,.7054;3.339,1.52,4.1552;3.9994,2.5299,3.475;4.5667,-3.7415,-4.5577;-5.5638,3.0364,.1664;-.5583,-5.5212,-.9031;-1.4246,-1.1288,.2979;-2.8808,.5485,3.6541;-3.0802,-1.0349,2.896;.175,-.9308,-1.3721;4.8844,-1.2227,-3.7851;2.316,-4.6295,-3.4763;4.0894,.6016,-1.3653;4.0702,.9049,-3.0958;2.5946,1.0928,-2.1533;3.973,3.745,1.7004;1.4943,-5.1684,-1.2867;3.696,1.1748,5.1174;4.8869,2.9852,3.8913;-1.0461,-5.0314,-.0595;-.2073,-6.4954,-.576;-1.2972,-5.6697,-1.6903; 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 3068 GEPOL Volume 3506.4083 GEPOL Surface-area 1883.4440 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -2305.87316068 4305.06987837 -6610.94303904 -11722.68581291 5111.74277387 -0.05918871 -4604.04396273 2298.17080206 2.00335152 138.999975651631 138.999975651631 277.999951303262 -190.397741859652 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 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.7241 -675.7490 -675.7396 -675.6868 -523.1048 -522.8180 -396.6345 -395.2922 -395.1064 -394.4562 -394.0276 -393.7052 -393.6350 -393.4248 -393.0320 -392.7441 -287.1191 -283.3576 -282.8991 -282.4243 -282.1345 -282.0240 -281.6366 -281.5129 -281.4059 -281.1721 -281.1585 -281.0075 -280.9985 -280.7042 -280.6910 -280.6309 -280.6026 -280.4717 -280.3519 -280.2929 -280.1170 -279.4680 -260.9931 -199.8335 -199.5914 -199.5813 -39.6279 -37.1148 -37.0233 -35.8245 -33.1155 -32.3206 -31.9820 -30.1775 -29.9977 -29.4101 -28.7006 -28.6322 -28.3763 -27.6807 -27.3471 -26.9053 -25.7125 -25.2532 -25.0794 -24.8095 -24.7259 -23.8304 -23.3950 -22.8019 -22.2634 -21.7713 -21.5894 -21.4059 -20.9304 -20.7648 -20.5304 -20.1876 -19.7359 -19.6292 -19.4746 -19.3826 -19.2005 -18.9287 -18.7111 -18.1982 -17.9247 -17.3467 -17.2103 -17.0940 -16.9059 -16.7647 -16.6031 -16.2754 -16.1198 -16.0927 -15.8806 -15.7589 -15.4635 -15.3064 -15.2947 -15.1389 -15.0714 -15.0425 -14.8496 -14.6157 -14.5830 -14.5733 -14.4242 -14.4166 -14.3558 -14.3337 -14.1196 -14.0667 -13.9638 -13.7294 -13.5534 -13.5035 -13.4107 -13.3447 -13.2919 -12.9370 -12.8668 -12.6777 -12.3024 -12.1564 -12.0903 -12.0802 -11.8338 -11.4848 -11.4368 -11.2292 -10.9235 -10.8909 -10.6083 -10.4338 -10.3527 -10.1231 -9.9709 -9.9285 -9.6637 -9.4346 -9.2483 0.0567 0.5486 0.7774 0.8577 1.0144 1.2699 1.9624 2.6351 2.6978 2.8484 2.9931 3.0981 3.4940 3.6756 3.8824 4.0220 4.1483 4.3491 4.4360 4.5508 4.6236 4.7496 4.8244 4.8760 4.9799 5.0336 5.1055 5.1816 5.4303 5.4834 5.5659 5.6286 5.6935 5.8189 5.9264 6.0047 6.0873 6.1341 6.2732 6.3751 6.4112 6.6971 6.7574 6.9323 7.0870 7.1390 7.2231 7.3068 7.3356 7.4644 7.5576 7.6385 7.6833 7.7804 7.8551 8.0093 8.0205 8.1311 8.2628 8.2923 8.4478 8.4713 8.5175 8.5875 8.6844 8.7541 8.7644 8.9040 8.9392 9.0043 9.0736 9.1377 9.1772 9.2361 9.2867 9.4958 9.5540 9.6449 9.7827 9.8189 9.9450 10.0715 10.1218 10.2688 10.3107 10.4011 10.4865 10.5147 10.6084 10.7200 10.7750 10.8574 10.9256 11.0112 11.1736 11.2603 11.2887 11.3681 11.4355 11.5171 11.6220 11.6719 11.8027 12.0251 12.0678 12.1663 12.2241 12.2980 12.3753 12.4346 12.4672 12.5443 12.6454 12.8291 12.8366 12.8958 12.9647 13.0796 13.1173 13.1851 13.2660 13.3455 13.4349 13.5338 13.6083 13.6939 13.8072 13.8648 13.9030 13.9800 14.0683 14.2180 14.2616 14.3653 14.4649 14.5129 14.6289 14.6711 14.7931 14.9491 15.0551 15.1722 15.2302 15.3134 15.4143 15.5022 15.5936 15.6210 15.6495 15.8059 15.8467 15.9205 16.0961 16.1081 16.1640 16.2401 16.3010 16.4242 16.5020 16.6279 16.6667 16.7479 16.8462 16.9153 16.9674 17.0645 17.2404 17.2792 17.3807 17.3970 17.4990 17.6900 17.8215 17.9147 18.0020 18.0974 18.1554 18.2508 18.3335 18.4480 18.5526 18.7218 18.8489 18.9141 19.0214 19.0410 19.1320 19.1997 19.3655 19.4475 19.5372 19.5986 19.7419 19.9105 20.0025 20.0909 20.1692 20.2244 20.3071 20.4025 20.4945 20.5913 20.6515 20.7897 20.8149 20.9052 20.9665 21.2528 21.2888 21.3966 21.4237 21.5225 21.6427 21.8466 21.9782 22.0462 22.1022 22.1538 22.3108 22.3700 22.6928 22.7491 22.8265 22.8674 22.9578 23.0508 23.1597 23.2458 23.3955 23.4725 23.7423 23.8314 23.9762 24.0308 24.0728 24.2192 24.2956 24.3528 24.4400 24.5361 24.7304 24.8011 24.8912 24.9022 25.0015 25.1425 25.1696 25.3960 25.5095 25.5943 25.6796 25.7406 25.8023 26.0679 26.1747 26.4239 26.5862 26.6436 26.8450 26.9618 27.0464 27.1870 27.2196 27.3027 27.4367 27.5839 27.7184 27.8399 28.0285 28.0531 28.1911 28.3645 28.3683 28.5079 28.5523 28.6589 28.7042 28.9795 29.0794 29.2464 29.4070 29.4485 29.5455 29.6252 29.8134 29.9208 30.0735 30.1371 30.1594 30.3305 30.4103 30.5233 30.6748 30.9268 30.9859 31.0660 31.2163 31.3727 31.4800 31.5209 31.7152 31.7925 31.9698 32.0792 32.1819 32.2495 32.4519 32.4571 32.6098 32.6894 32.7906 32.8320 32.9735 33.2084 33.4270 33.5567 33.7977 33.9558 34.0641 34.1653 34.2175 34.2422 34.3618 34.4593 34.5695 34.7251 34.9575 35.1194 35.3224 35.3605 35.4829 35.5552 35.8523 35.9050 36.0661 36.1173 36.3029 36.5401 36.5883 36.7147 36.7690 36.8971 36.9921 37.0290 37.0871 37.2525 37.5727 37.6541 37.7716 37.8718 37.9432 38.1815 38.3174 38.4332 38.6373 38.6921 38.8926 39.0328 39.1626 39.2291 39.2856 39.4553 39.6874 39.7406 39.8388 39.8925 39.9807 40.1601 40.2645 40.3200 40.5024 40.6593 40.7145 40.9454 41.0161 41.1971 41.2715 41.3468 41.5103 41.7220 41.8766 41.9854 42.1479 42.2197 42.4133 42.4664 42.6114 42.7988 42.8729 42.9384 43.1124 43.1893 43.4456 43.4713 43.6029 43.6632 43.8123 43.9099 43.9314 44.1008 44.2437 44.2631 44.3681 44.4613 44.5630 44.7637 44.8654 44.9848 45.2931 45.3000 45.4127 45.6112 45.6705 45.7289 45.8082 45.9356 46.0910 46.1393 46.2505 46.4061 46.4495 46.7312 46.8075 46.9668 46.9981 47.2393 47.3046 47.4790 47.5688 47.7321 48.0734 48.1682 48.2839 48.3754 48.4722 48.5255 48.6883 48.8959 49.0427 49.2293 49.2557 49.3649 49.5476 49.6739 49.8431 49.9041 50.1753 50.2383 50.3211 50.4153 50.8103 50.9411 51.0040 51.2795 51.3404 51.5878 51.6579 51.8387 52.1382 52.3688 52.5568 52.6888 52.7943 52.9407 53.0035 53.1072 53.2953 53.3225 53.4891 53.6135 53.7460 53.9014 53.9823 54.2185 54.3160 54.4808 54.6344 54.6891 54.8731 54.9274 55.0335 55.1128 55.3758 55.6090 55.6406 55.7362 55.9589 55.9928 56.0837 56.2345 56.3588 56.7437 56.7920 56.8805 57.1955 57.3839 57.5911 57.7445 58.1594 58.2777 58.3685 58.6587 58.7904 58.8501 58.9118 59.0053 59.3359 59.5171 59.6393 59.7858 59.9420 60.0131 60.0950 60.3167 60.5019 60.5270 60.7858 60.9176 60.9808 61.0434 61.5566 61.8031 61.9661 62.0288 62.1873 62.6687 63.0121 63.1403 63.2153 63.2459 63.4967 63.5658 63.7927 63.9100 64.1038 64.2336 64.3442 64.6936 64.7567 64.9453 65.0131 65.1206 65.2051 65.2980 65.4877 65.5827 65.7640 65.8966 66.2356 66.4029 66.4622 66.6373 66.7138 66.8388 66.9661 67.2395 67.5118 67.6568 67.8354 68.0705 68.1809 68.3980 68.6704 68.7744 68.9645 69.0961 69.2107 69.5209 69.6925 69.9635 70.0157 70.2359 70.3586 70.3721 70.6176 70.7448 71.1191 71.1819 71.4144 71.6391 71.8008 71.9985 72.1663 72.2103 72.3138 72.4257 72.5965 72.8226 72.9852 73.1438 73.3153 73.4226 73.4768 73.6760 73.9443 73.9816 74.2118 74.4418 74.6037 74.7352 74.8027 75.2317 75.4164 75.5021 75.8085 75.8436 76.0028 76.1135 76.3064 76.4034 76.7531 76.8767 77.0019 77.2685 77.3990 77.5302 77.8669 77.9192 78.1116 78.3298 78.4097 78.5799 78.7425 78.7586 78.8785 79.0125 79.0411 79.2067 79.4578 79.6804 79.7288 79.8954 80.0301 80.1311 80.3194 80.4550 80.7253 80.8097 81.0051 81.0597 81.1319 81.2033 81.3155 81.3676 81.5797 81.7968 81.8466 81.9021 82.2689 82.3754 82.4777 82.5117 82.6305 82.6699 82.7874 82.8291 82.8727 83.1380 83.2469 83.3125 83.3567 83.4237 83.5377 83.6173 83.7160 83.8990 83.9900 84.0072 84.1971 84.2479 84.3752 84.5444 84.6853 84.8002 84.9040 84.9799 85.1361 85.2995 85.4413 85.5008 85.6213 85.6956 85.7949 85.8837 85.9509 86.0773 86.2708 86.4295 86.5605 86.5796 86.6314 86.7964 86.9707 87.0286 87.2222 87.3246 87.3812 87.4635 87.5113 87.6347 87.7246 87.8361 87.9873 88.1189 88.2870 88.4062 88.5414 88.5972 88.6717 88.7937 88.8745 88.9444 89.0094 89.1766 89.3118 89.4688 89.5424 89.6041 89.6446 89.9322 90.0803 90.1246 90.1713 90.3022 90.5471 90.5520 90.7342 90.8284 90.9830 91.0246 91.1841 91.3081 91.4017 91.6516 91.8189 91.9078 92.0026 92.0794 92.1280 92.1912 92.2956 92.4668 92.5178 92.5250 92.7853 92.8665 92.9153 93.0898 93.3051 93.5847 93.6434 93.6746 93.8536 93.9136 94.0463 94.1954 94.2168 94.2781 94.4598 94.5266 94.7424 94.8068 94.9171 95.0410 95.3127 95.3980 95.5229 95.7443 95.8066 95.8613 96.0096 96.1518 96.1709 96.4074 96.4542 96.6503 96.8210 96.8927 97.0167 97.0856 97.1398 97.3007 97.4430 97.5127 97.7518 97.8182 97.8991 97.9953 98.0940 98.2241 98.3150 98.5714 98.6239 98.7355 98.8163 99.0825 99.1493 99.2059 99.4154 99.6393 99.7147 99.8502 99.9058 99.9887 100.1354 100.2138 100.4755 100.8386 100.9787 101.1626 101.3851 101.5845 101.7191 101.8816 101.9941 102.1058 102.1169 102.3727 102.4615 102.6058 102.9421 103.1475 103.1824 103.2982 103.6646 103.7986 103.8802 103.9933 104.0922 104.3119 104.4238 104.6368 104.6833 104.8444 105.0925 105.2887 105.3871 105.4181 105.5834 105.6983 105.8739 105.9998 106.0663 106.3108 106.3561 106.5652 106.6138 106.8706 107.0637 107.2266 107.3061 107.3603 107.4388 107.5842 107.6234 107.7107 107.7748 107.9214 107.9953 108.1538 108.2820 108.5934 108.7186 108.9070 109.0209 109.0643 109.1717 109.2389 109.3838 109.4631 109.5770 109.6561 109.8095 109.9751 110.0801 110.1491 110.2626 110.2997 110.4205 110.4598 110.6353 110.9243 111.0297 111.0819 111.2666 111.4558 111.5280 111.5664 111.7070 111.8194 112.0662 112.2724 112.3886 112.4217 112.6354 112.8130 112.9863 113.0868 113.1976 113.4458 113.6925 113.7272 113.8931 114.1725 114.3568 114.3832 114.6108 114.6837 114.8203 114.8682 114.9937 115.1795 115.2384 115.4676 115.6518 115.7290 115.9906 116.0144 116.2065 116.3738 116.4232 116.6204 116.8048 116.8899 117.0389 117.1773 117.4222 117.4863 117.7419 117.9881 118.1764 118.3250 118.4133 118.6528 118.6667 118.9601 119.0802 119.3809 119.5541 119.7736 120.0056 120.0959 120.2785 120.5045 120.7967 120.8888 121.0737 121.3015 121.6145 121.8017 121.8954 122.1113 122.3342 122.4717 122.7432 122.8129 122.9628 123.3093 123.5865 123.8039 123.8378 123.9622 124.3194 124.4886 124.5914 124.7922 125.2445 125.4250 125.5466 125.7920 125.9172 126.1229 126.4698 126.6006 126.7622 126.8748 127.2929 127.4432 127.5076 127.7086 127.8794 128.1223 128.2595 128.4529 128.5011 128.5908 129.2367 129.4681 129.5398 129.8777 129.9720 130.4639 130.7127 130.8945 131.0817 131.2434 131.3909 131.5652 131.7526 132.0756 132.2883 132.5650 132.7301 132.8112 132.9693 133.2520 133.3954 133.7407 133.8054 133.8710 134.0634 134.1337 134.3812 134.5439 134.8589 134.9684 135.1911 135.2238 135.5438 135.5926 135.6546 135.7268 135.9666 136.0477 136.2335 136.4597 136.8881 136.9682 137.2373 137.3625 137.5767 137.8180 137.9680 138.1134 138.2622 138.7522 138.7587 139.0962 139.1973 139.3940 139.5327 140.0693 140.1279 140.3730 140.5048 140.6759 141.0459 141.1368 141.2972 141.4754 141.8704 141.9487 141.9761 142.2072 142.3418 142.6346 142.9122 143.0599 143.1558 143.2419 143.4493 143.6240 143.8874 143.9914 144.1520 144.3451 144.5418 144.6718 144.7325 144.9551 145.2341 145.3574 145.4120 145.5764 145.7176 145.9854 146.1856 146.2443 146.4858 146.5938 146.7814 147.1567 147.5838 147.7706 147.9317 148.0259 148.1046 148.2051 148.4909 148.8118 148.8630 148.9346 148.9464 149.4907 149.6712 149.8792 150.0653 150.1646 150.3910 150.5811 150.7274 150.8999 151.0624 151.6133 151.6173 151.8292 152.0755 152.1424 152.6749 152.7648 153.1786 153.4220 153.5920 153.7217 153.8199 154.1562 154.4248 154.6423 154.9650 155.0497 155.1862 155.3815 155.8275 155.8312 156.1224 156.3018 156.3299 156.6206 157.2252 157.3057 157.3817 157.7313 158.1114 158.2674 158.5970 159.0411 159.3509 159.7919 160.2321 160.2906 160.7512 161.2521 161.6486 161.9106 162.1687 162.9747 163.0250 163.5795 163.6673 163.8860 164.3413 164.8249 165.0626 165.4572 165.7952 166.6110 166.8970 167.8844 169.1629 170.0855 170.3289 171.0503 171.5449 171.7322 172.0456 173.7729 174.3379 176.0610 176.8063 177.5411 178.2822 178.4536 178.6200 179.2649 179.3538 180.6299 182.3601 182.7371 183.8243 184.7978 187.1283 188.2310 188.3429 188.3913 188.4789 188.7032 188.8864 188.9373 188.9931 189.5685 189.9771 190.1376 190.7280 191.7782 192.1341 192.4148 192.6990 193.1272 194.3746 194.9717 195.9011 196.5875 196.8602 197.2374 198.4607 199.3874 200.7038 202.7506 203.2435 204.3913 207.2061 209.5427 209.7757 223.3113 224.1703 224.6035 227.5138 227.5429 228.0152 228.3638 230.3449 232.5357 232.6249 234.9949 238.8717 241.0925 241.6000 243.6647 245.4387 246.6476 246.8970 249.7209 250.9054 296.6694 298.8229 313.3430 618.4591 619.7559 625.3109 628.4110 630.1850 632.0593 633.8637 633.9623 634.0913 636.2688 636.4269 637.4832 639.9790 641.1627 643.0414 644.1663 645.4804 645.7333 645.7972 647.0085 648.0961 657.6893 716.6855 873.0792 876.0069 878.0165 882.0993 885.5985 890.6579 896.9480 899.9430 902.3159 904.4909 1200.0019 1202.3053 1558.0395 1558.2789 1559.5721 -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 F O O N N N N N N N 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 H H H H H H H H H H H H H H H H -0.056447 -0.160838 -0.160846 -0.165901 -0.455231 -0.528409 0.189627 -0.175798 -0.292866 0.239032 -0.338428 -0.270823 -0.111504 -0.178397 -0.218893 -0.105289 0.003078 -0.021412 0.181877 -0.162155 0.008755 0.308179 -0.021147 -0.033627 0.177984 -0.127537 -0.170979 0.198140 -0.258032 0.344454 0.030447 -0.084241 0.093667 0.014092 -0.116653 -0.137478 0.498179 -0.165222 0.169371 0.136269 0.139151 0.197431 0.137345 0.145118 0.115438 0.109455 0.096687 0.150207 0.186468 0.148902 0.162918 0.109054 0.114635 0.112196 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 F O O N N N N N N N 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 H H H H H H H H H H H H H H H H 17.0564 9.1608 9.1608 9.1659 8.4552 8.5284 6.8104 7.1758 7.2929 6.7610 7.3384 7.2708 7.1115 7.1784 7.2189 7.1053 5.9969 6.0214 5.8181 6.1622 5.9912 5.6918 6.0211 6.0336 5.8220 6.1275 6.1710 5.8019 6.2580 5.6555 5.9696 6.0842 5.9063 5.9859 6.1167 6.1375 5.5018 6.1652 0.8306 0.8637 0.8608 0.8026 0.8627 0.8549 0.8846 0.8905 0.9033 0.8498 0.8135 0.8511 0.8371 0.8909 0.8854 0.8878 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 7.0000 7.0000 7.0000 7.0000 7.0000 7.0000 7.0000 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 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 -0.0564 -0.1608 -0.1608 -0.1659 -0.4552 -0.5284 0.1896 -0.1758 -0.2929 0.2390 -0.3384 -0.2708 -0.1115 -0.1784 -0.2189 -0.1053 0.0031 -0.0214 0.1819 -0.1622 0.0088 0.3082 -0.0211 -0.0336 0.1780 -0.1275 -0.1710 0.1981 -0.2580 0.3445 0.0304 -0.0842 0.0937 0.0141 -0.1167 -0.1375 0.4982 -0.1652 0.1694 0.1363 0.1392 0.1974 0.1373 0.1451 0.1154 0.1095 0.0967 0.1502 0.1865 0.1489 0.1629 0.1091 0.1146 0.1122 1.2611 1.1476 1.1476 1.1363 2.0511 1.9811 3.3300 3.2169 2.9461 3.4582 3.0661 2.9467 2.8511 3.2218 2.9960 3.1282 3.8430 4.0440 3.7319 3.9328 3.8160 4.1672 3.8423 3.8011 3.9823 3.9935 4.0408 3.6922 3.8751 4.1467 3.9506 3.9734 4.1196 4.0253 3.8825 4.0165 4.5261 3.9085 1.0079 1.0117 1.0022 1.0200 1.0116 1.0260 1.0043 1.0054 1.0104 1.0043 0.9980 0.9965 0.9881 0.9908 0.9983 0.9927 1.2611 1.1476 1.1476 1.1363 2.0511 1.9811 3.3300 3.2169 2.9461 3.4582 3.0661 2.9467 2.8511 3.2218 2.9960 3.1282 3.8430 4.0440 3.7319 3.9328 3.8160 4.1672 3.8423 3.8011 3.9823 3.9935 4.0408 3.6922 3.8751 4.1467 3.9506 3.9734 4.1196 4.0253 3.8825 4.0165 4.5261 3.9085 1.0079 1.0117 1.0022 1.0200 1.0116 1.0260 1.0043 1.0054 1.0104 1.0043 0.9980 0.9965 0.9881 0.9908 0.9983 0.9927 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.1032 1.1487 1.1502 1.1354 1.9026 1.8282 1.0745 1.2810 0.9656 0.9056 1.3075 0.9370 0.1206 1.6349 1.1910 1.2494 0.8482 1.4917 1.4741 0.1156 1.5447 1.3758 1.3435 0.9130 0.9629 1.4650 3.0286 1.5440 0.9022 1.3684 0.9287 1.3757 1.3666 0.9342 0.9960 0.9874 1.4320 0.9378 1.4712 0.9126 1.3343 1.3924 0.9839 1.3749 0.9560 0.9388 0.9847 0.9842 0.9966 1.4066 1.4152 0.9705 0.9950 1.4126 0.9744 0.9674 0.9802 0.9804 0.9822 0 30 1 36 2 36 3 36 4 21 5 29 6 8 6 16 6 24 7 18 7 21 7 41 8 16 8 17 9 11 9 12 9 20 10 24 10 33 11 12 11 32 12 14 13 29 13 37 13 48 14 32 15 35 16 19 16 21 17 19 17 20 18 22 18 23 19 38 20 39 20 40 22 25 22 28 23 26 23 29 24 30 25 27 25 42 26 27 26 43 27 35 28 44 28 45 28 46 30 31 31 34 31 47 32 36 33 34 33 49 34 50 37 51 37 52 37 53 -0.029861342 -2305.903022019017 34.93324 -33.18574 1.74750 -32.72880 32.13047 -0.59833 -1.69734 3.41407 1.71673 2.52169 6.40962