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 Cl F F F O O O O O O N N 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 1 2 2 2 3 3 3 3 3 3 4 4 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 6 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.4223,-3.2842,-1.5812;-5.4971,1.8279,1.4267;-5.9732,1.6669,-.6549;-6.4377,.0408,.6576;2.8306,-.1399,1.2769;3.2963,2.1839,.1113;-2.0181,-2.0442,1.4317;-1.5502,.5226,-2.2632;5.4073,2.2141,.8438;4.0882,-.5678,-.5213;-1.8008,-.7756,-.4236;-3.6437,-.5143,1.0117;3.8326,.705,1.8713;-.5417,-1.3936,-.6854;-4.1689,.3851,.1187;-2.4642,-1.1723,.7215;4.9972,-.117,2.3948;3.1158,1.4183,3.0131;1.8502,-1.3807,-.4214;.5987,-.8416,-.1397;-2.2306,.2019,-1.3105;-3.5237,.7542,-.998;4.2923,1.7642,.869;-.4651,-2.5089,-1.4996;3.0558,-.6764,.0865;1.921,-2.5097,-1.2381;-4.2814,-.8983,2.2744;.7697,-3.0749,-1.7651;-5.533,.9833,.3944;3.5646,3.179,-.8736;2.3621,3.3725,-1.7287;1.2144,2.7116,-1.6611;5.5727,-.5951,1.6051;5.6736,.5151,2.9679;4.623,-.8892,3.0673;3.7988,2.1071,3.5093;2.2527,1.9846,2.6629;2.7763,.6925,3.7525;.5121,.0345,.4887;-3.938,1.4664,-1.6932;-1.3607,-2.9409,-1.9265;-3.5095,-1.1239,3.0019;-4.8644,-.083,2.6831;-4.9101,-1.7773,2.1472;.8344,-3.9556,-2.3887;4.4153,2.8802,-1.4937;3.8377,4.1214,-.3886;2.4938,4.1441,-2.4804;.4098,2.9398,-2.3473;1.0211,1.9343,-.9343; 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 1768 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 244 Dim 1255 ENuc 3584.6162310109 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 5.771e-06 Time for diagonalization 0.815 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.337 sec Total time needed 1.167 sec 17 9 9 9 8 8 8 8 8 8 7 7 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 1 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.4223,-3.2842,-1.5812;-5.4971,1.8279,1.4267;-5.9732,1.6669,-.6549;-6.4377,.0408,.6576;2.8306,-.1399,1.2769;3.2963,2.1839,.1113;-2.0181,-2.0442,1.4317;-1.5502,.5226,-2.2632;5.4073,2.2141,.8438;4.0882,-.5678,-.5213;-1.8008,-.7756,-.4236;-3.6437,-.5143,1.0117;3.8326,.705,1.8713;-.5417,-1.3936,-.6854;-4.1689,.3851,.1187;-2.4642,-1.1723,.7215;4.9972,-.117,2.3948;3.1158,1.4183,3.0131;1.8502,-1.3807,-.4214;.5987,-.8416,-.1397;-2.2306,.2019,-1.3105;-3.5237,.7542,-.998;4.2923,1.7642,.869;-.4651,-2.5089,-1.4996;3.0558,-.6764,.0865;1.921,-2.5097,-1.2381;-4.2814,-.8983,2.2744;.7697,-3.0749,-1.7651;-5.533,.9833,.3944;3.5646,3.179,-.8736;2.3621,3.3725,-1.7287;1.2144,2.7116,-1.6611;5.5727,-.5951,1.6051;5.6736,.5151,2.9679;4.623,-.8892,3.0673;3.7988,2.1071,3.5093;2.2527,1.9846,2.6629;2.7763,.6925,3.7525;.5121,.0345,.4887;-3.938,1.4664,-1.6932;-1.3607,-2.9409,-1.9265;-3.5095,-1.1239,3.0019;-4.8644,-.083,2.6831;-4.9101,-1.7773,2.1472;.8344,-3.9556,-2.3887;4.4153,2.8802,-1.4937;3.8377,4.1214,-.3886;2.4938,4.1441,-2.4804;.4098,2.9398,-2.3473;1.0211,1.9343,-.9343; 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" 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.4223,-3.2842,-1.5812;-5.4971,1.8279,1.4267;-5.9732,1.6669,-.6549;-6.4377,.0408,.6576;2.8306,-.1399,1.2769;3.2963,2.1839,.1113;-2.0181,-2.0442,1.4317;-1.5502,.5226,-2.2632;5.4073,2.2141,.8438;4.0882,-.5678,-.5213;-1.8008,-.7756,-.4236;-3.6437,-.5143,1.0117;3.8326,.705,1.8713;-.5417,-1.3936,-.6854;-4.1689,.3851,.1187;-2.4642,-1.1723,.7215;4.9972,-.117,2.3948;3.1158,1.4183,3.0131;1.8502,-1.3807,-.4214;.5987,-.8416,-.1397;-2.2306,.2019,-1.3105;-3.5237,.7542,-.998;4.2923,1.7642,.869;-.4651,-2.5089,-1.4996;3.0558,-.6764,.0865;1.921,-2.5097,-1.2381;-4.2814,-.8983,2.2744;.7697,-3.0749,-1.7651;-5.533,.9833,.3944;3.5646,3.179,-.8736;2.3621,3.3725,-1.7287;1.2144,2.7116,-1.6611;5.5727,-.5951,1.6051;5.6736,.5151,2.9679;4.623,-.8892,3.0673;3.7988,2.1071,3.5093;2.2527,1.9846,2.6629;2.7763,.6925,3.7525;.5121,.0345,.4887;-3.938,1.4664,-1.6932;-1.3607,-2.9409,-1.9265;-3.5095,-1.1239,3.0019;-4.8644,-.083,2.6831;-4.9101,-1.7773,2.1472;.8344,-3.9556,-2.3887;4.4153,2.8802,-1.4937;3.8377,4.1214,-.3886;2.4938,4.1441,-2.4804;.4098,2.9398,-2.3473;1.0211,1.9343,-.9343; 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 2863 GEPOL Volume 2959.9190 GEPOL Surface-area 1642.3628 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.9s -2093.81663030 3584.61623101 -5678.43286131 -10006.23645559 4327.80359428 -0.04809477 -4180.66255161 2086.84592132 2.00334031 121.999987849904 121.999987849904 243.999975699807 -168.854120078142 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.4405 -675.9224 -675.9167 -675.9099 -525.0102 -524.9220 -523.4028 -523.3137 -523.1925 -523.1551 -394.8562 -394.5657 -287.3086 -284.1832 -283.7924 -283.5591 -283.3699 -282.5475 -282.1597 -282.0370 -281.4012 -281.3224 -280.8397 -280.7247 -280.5097 -280.4366 -280.4247 -280.3436 -279.8653 -279.5580 -279.3829 -279.3825 -260.7139 -199.5537 -199.3157 -199.2980 -39.8482 -37.2739 -37.2565 -34.2796 -33.7128 -33.3188 -32.3168 -31.5250 -31.3909 -30.4928 -29.6665 -28.0655 -26.5180 -26.0005 -25.8322 -24.9682 -24.5595 -24.2677 -23.2350 -23.0388 -22.6342 -22.1716 -21.7792 -21.5707 -21.1336 -20.5792 -20.2721 -20.0260 -19.8121 -19.7765 -19.3690 -18.7392 -18.4933 -18.1941 -17.7614 -17.3462 -16.9522 -16.7251 -16.7065 -16.5531 -16.4520 -16.3318 -16.3153 -16.1059 -15.8359 -15.8024 -15.7395 -15.4389 -15.3855 -15.2397 -15.1533 -14.9763 -14.9041 -14.8762 -14.7929 -14.6350 -14.5948 -14.4571 -14.2377 -14.1201 -13.9670 -13.8728 -13.6049 -13.5170 -13.3075 -13.2436 -13.1404 -13.1100 -12.8302 -12.5876 -12.5557 -12.3290 -12.2412 -12.1079 -11.7560 -11.4054 -11.3025 -11.2764 -10.7933 -10.5455 -10.5071 -10.4761 -9.9699 -9.7181 -9.4530 -9.4065 0.2285 0.3006 1.0510 1.9873 2.1749 2.3637 2.8502 3.0161 3.3274 3.5102 3.9363 4.1142 4.3211 4.4002 4.5635 4.6439 4.7441 4.8131 4.8820 4.9307 5.0717 5.1947 5.3782 5.4326 5.4447 5.5031 5.5344 5.6827 5.9572 6.0482 6.1319 6.1773 6.2287 6.4531 6.4783 6.6987 6.7579 6.8035 6.8864 6.9322 7.0530 7.1321 7.2346 7.2547 7.4575 7.4986 7.7198 7.8296 7.8566 8.0349 8.2337 8.3044 8.4159 8.5177 8.5970 8.7228 8.8204 8.9502 8.9828 9.0406 9.0867 9.1471 9.2086 9.4358 9.5304 9.6226 9.7655 9.9504 10.0415 10.1057 10.2463 10.2517 10.3835 10.4850 10.5881 10.7161 10.7547 10.8483 11.0366 11.1417 11.2060 11.2990 11.3268 11.4440 11.5192 11.5827 11.6855 11.8088 11.8907 11.9915 12.0571 12.2385 12.3681 12.3963 12.4582 12.5109 12.6250 12.7288 12.8450 12.9095 13.1022 13.1363 13.3644 13.4023 13.4939 13.6217 13.7030 13.7438 13.8637 13.9411 14.0417 14.0981 14.1930 14.2684 14.2943 14.4030 14.4850 14.5631 14.6688 14.7193 14.8023 14.8335 14.9195 15.0288 15.1437 15.1795 15.2674 15.3926 15.4288 15.5293 15.6788 15.7634 15.8416 16.0488 16.1815 16.2518 16.3670 16.4001 16.5090 16.6071 16.6408 16.7806 16.9566 17.1274 17.3568 17.4564 17.5965 17.6554 17.9175 17.9488 17.9704 18.1177 18.2067 18.2855 18.4961 18.5548 18.6938 18.7745 18.9031 19.1016 19.1199 19.2478 19.3252 19.4561 19.5966 19.8322 19.8747 20.0553 20.0731 20.2871 20.4315 20.4988 20.7308 20.8792 21.0503 21.2062 21.2249 21.3631 21.4720 21.5899 21.7250 21.7873 21.9123 21.9619 22.0437 22.2082 22.3509 22.5812 22.6841 22.7167 22.9382 23.0227 23.1423 23.2539 23.4145 23.5386 23.5994 23.7776 23.8970 23.9554 24.0082 24.2181 24.4240 24.4997 24.5691 24.6733 24.8033 24.9557 25.1424 25.3797 25.4008 25.4225 25.7333 25.7821 25.9596 26.0561 26.0821 26.1832 26.3268 26.4253 26.5993 26.7550 26.8027 26.8990 27.1254 27.2313 27.3934 27.5458 27.6844 27.7568 27.9150 27.9899 28.0575 28.2301 28.3718 28.4699 28.5071 28.5680 28.8069 28.9202 29.0719 29.3257 29.3950 29.5960 29.7760 29.8657 30.1327 30.2175 30.2860 30.3925 30.4517 30.5652 30.5835 30.7884 30.8664 30.9159 31.0314 31.0906 31.3266 31.4901 31.8077 31.9648 32.0570 32.1552 32.3393 32.4399 32.6202 32.7039 32.7454 32.9637 33.2041 33.2365 33.3254 33.4946 33.5302 33.6460 33.8277 33.9794 34.0872 34.1747 34.2840 34.3434 34.5492 34.6124 34.8744 35.0623 35.1851 35.3725 35.6801 35.8015 35.8789 36.1228 36.1732 36.2611 36.4317 36.5063 36.8154 37.0026 37.1889 37.3602 37.4750 37.6013 37.6769 37.7217 37.9493 38.0453 38.1499 38.3525 38.3833 38.8462 38.9375 39.0073 39.1096 39.4277 39.4901 39.5549 39.7813 39.8195 40.0332 40.1938 40.4270 40.6369 40.6616 40.7232 40.7920 40.9269 41.1012 41.2984 41.4046 41.6022 41.6625 41.7364 41.8262 42.0510 42.2642 42.3139 42.4645 42.6554 42.9058 42.9528 43.0274 43.3036 43.3687 43.3943 43.6060 43.6462 43.8339 43.9439 44.1083 44.1305 44.3180 44.4401 44.5890 44.7583 44.7803 44.9683 45.1673 45.2576 45.3460 45.5115 45.7004 45.7806 45.9106 46.0895 46.1736 46.1967 46.4082 46.6670 46.8156 46.9221 47.2100 47.2967 47.4775 47.6172 47.9433 48.1426 48.2542 48.4266 48.6726 48.8860 48.9553 49.1646 49.2717 49.4625 49.5269 49.6668 49.8624 50.0242 50.2352 50.3383 50.5141 50.6111 50.6864 50.8316 51.0990 51.1437 51.3118 51.4347 51.5779 51.7784 51.8458 52.0193 52.3365 52.4381 52.7301 52.8526 52.9080 53.0886 53.2511 53.6097 53.8506 54.0445 54.2929 54.5795 54.9093 55.0072 55.3755 55.4616 55.6519 55.8026 55.9633 56.1368 56.5692 56.6843 56.9158 56.9569 57.2682 57.4299 57.6624 57.7696 58.0303 58.0690 58.1368 58.3286 58.4138 58.6577 58.8884 58.9112 59.2400 59.3791 59.4486 59.6627 59.8606 59.9548 60.0594 60.1958 60.5289 60.6586 60.7186 61.0330 61.2026 61.3814 61.5803 61.8403 62.0140 62.0881 62.2486 62.4961 62.6423 63.0193 63.0942 63.2310 63.3539 63.3838 63.6011 63.6937 63.9115 64.2593 64.3428 64.4418 64.5752 64.8037 65.0993 65.1962 65.3563 65.5432 65.7121 65.8957 65.9319 66.3381 66.4885 66.6778 66.7785 66.9481 67.0246 67.2020 67.3918 67.5225 67.6368 67.6584 68.0314 68.4396 68.6756 68.9361 69.1378 69.2744 69.8919 70.1474 70.3586 70.5150 70.8247 71.0310 71.4103 71.4811 71.8433 71.9500 71.9949 72.2071 72.5397 72.7710 72.9900 73.0675 73.3681 73.6273 74.0278 74.1589 74.4555 74.4694 74.7231 74.9440 75.2916 75.4994 75.6637 75.7574 76.0352 76.2746 76.4172 76.5728 76.7410 76.9986 77.1191 77.1771 77.2872 77.4477 77.5673 77.7231 77.9726 78.0708 78.2790 78.4343 78.5018 78.7876 78.8603 79.0617 79.1701 79.3116 79.4271 79.4417 79.5620 79.5859 79.7902 79.8776 80.1997 80.2361 80.3265 80.4671 80.5164 80.5979 80.7086 80.9402 81.0388 81.1664 81.2277 81.3119 81.5274 81.5528 81.6924 81.9938 82.0847 82.1897 82.4185 82.5062 82.5670 82.6965 82.7976 82.9898 83.2723 83.3678 83.6097 83.6463 83.7483 83.9292 83.9821 84.0942 84.2482 84.3827 84.4552 84.5960 84.7590 84.8509 85.0736 85.1711 85.2325 85.3314 85.5236 85.5997 85.7453 85.9375 86.1196 86.1959 86.2921 86.3752 86.3946 86.5173 86.8471 86.9368 87.0877 87.1450 87.2161 87.3962 87.5759 87.6341 87.8633 87.9765 88.0174 88.1058 88.2327 88.4185 88.5478 88.6314 88.8985 88.9966 89.0338 89.1716 89.2683 89.3830 89.4845 89.6614 89.6841 89.9104 89.9892 90.0599 90.2286 90.3572 90.4827 90.6508 90.7390 90.8725 91.0004 91.1440 91.2045 91.3863 91.4979 91.6598 91.7364 91.7866 92.0369 92.1969 92.4009 92.4583 92.6026 92.6042 92.8051 92.9726 93.0262 93.3669 93.4229 93.5491 93.6544 93.7732 93.9671 94.1163 94.1836 94.3433 94.3706 94.5286 94.5442 94.7683 95.0010 95.0138 95.1214 95.2644 95.4774 95.5343 95.6206 95.6706 95.7469 95.9804 96.1364 96.4897 96.5094 96.7510 96.8755 96.9736 97.2549 97.4178 97.4432 97.5843 97.7868 97.8103 97.9497 97.9522 98.1660 98.3350 98.5784 98.6263 98.7098 98.9312 99.0462 99.1014 99.1160 99.2921 99.4729 99.6661 99.7196 99.9489 100.1161 100.3039 100.4654 100.6280 100.7777 100.9743 101.0353 101.2145 101.4955 101.6208 101.8923 102.0437 102.1751 102.2559 102.3600 102.4514 102.6451 102.9360 103.1279 103.2290 103.3117 103.4450 103.6791 103.9586 104.1770 104.3430 104.5690 104.6780 104.7931 104.8859 105.0271 105.1205 105.2373 105.2527 105.5289 105.6112 105.6903 106.0531 106.1718 106.3202 106.5408 106.8757 106.9441 107.1758 107.2696 107.3976 107.7601 107.9905 108.1460 108.2983 108.5304 108.5887 108.6914 108.9128 109.0478 109.2225 109.2719 109.6026 109.7527 109.9820 110.1437 110.1969 110.3991 110.6165 110.6879 110.8720 111.0139 111.1208 111.2616 111.3877 111.6418 111.9327 112.0595 112.1943 112.3080 112.4026 112.5940 112.9592 113.2023 113.2351 113.2841 113.5773 113.6977 113.9812 114.0437 114.1471 114.2412 114.3207 114.6248 114.7740 114.9412 115.0598 115.2367 115.3943 115.4740 115.6982 115.8679 115.9732 116.1002 116.3207 116.4879 116.5654 116.6512 117.1543 117.1734 117.3832 117.4233 117.5836 117.7809 117.9108 117.9861 118.3028 118.3535 118.4882 118.7098 118.7819 119.0236 119.1003 119.2276 119.4407 119.6841 119.9188 119.9523 120.2349 120.3725 120.5881 120.8439 121.0354 121.3047 121.4810 121.8144 121.8898 121.9460 122.3990 122.8014 122.8657 123.1070 123.3655 123.6067 123.8840 124.0025 124.2612 124.4400 124.4926 125.0887 125.2477 125.3919 126.0240 126.2059 126.6369 126.7329 127.0858 127.3775 127.8839 127.9729 128.2655 128.5548 128.8048 128.8976 129.1893 129.4274 129.9157 130.1613 130.5035 130.6802 130.7431 131.0855 131.2600 131.4454 131.5715 131.7184 131.8494 132.1594 132.5792 132.6307 132.8497 132.9927 133.0398 133.4183 133.5174 133.8940 133.9587 134.1119 135.3352 135.5783 135.8586 136.0324 136.2675 136.4998 136.6644 136.8593 137.2018 137.4303 137.6408 137.9023 138.0282 138.3370 138.6600 139.1495 139.2967 139.9485 140.0040 140.1093 140.3581 140.8291 140.9968 141.2210 141.3951 141.9565 142.3605 142.4033 142.7498 142.8772 143.0733 143.2952 143.4359 143.5255 143.7480 144.0084 144.3964 144.6638 144.7393 144.9755 145.0530 145.2088 145.3478 145.4884 145.5938 145.9570 146.1632 146.3118 146.5506 146.7779 146.9787 147.0764 147.6926 147.8100 148.3331 148.3820 148.5270 148.8542 148.9890 149.4191 149.4779 149.7406 149.9137 150.0597 150.1711 150.3123 150.5158 150.6222 150.7757 150.8515 151.1002 151.2532 151.3824 151.6799 151.8832 152.2691 152.4832 152.7003 152.9571 153.0975 153.3170 153.3813 153.9289 154.3982 154.5715 154.7498 154.9258 155.5389 155.7209 155.9992 156.5060 156.5323 156.6294 156.8140 157.1986 157.4534 157.7506 157.8322 158.1989 158.6023 159.0919 159.2116 159.8626 159.9487 160.3019 160.6215 161.2406 161.8903 162.3558 163.8124 164.5388 165.3305 165.6809 165.9853 166.5546 167.4439 168.7588 168.8396 169.1983 170.6720 171.6293 171.9960 172.4454 172.5598 173.2655 174.0978 174.5909 175.8761 176.1235 176.9620 177.1232 177.5896 178.2078 178.5087 179.1308 179.2747 179.8142 180.1351 181.0620 182.5795 182.7196 185.6493 186.1654 186.6802 186.8342 186.9943 187.6721 187.8791 187.9139 188.1912 188.1968 188.3428 188.4119 188.5236 188.6367 188.8890 188.9978 189.1669 189.2378 189.2686 191.3384 191.9007 192.2321 192.6311 192.8716 193.7595 194.2022 194.3616 194.8087 195.3332 195.3705 195.7586 196.1382 196.2671 196.5884 198.4857 198.8593 199.1589 201.0596 202.6872 203.0334 204.8290 205.0769 205.8339 206.8759 207.6141 208.1839 209.1390 210.0523 222.0903 223.6048 223.9141 227.4581 227.6470 228.4462 228.8196 230.1200 232.3431 233.3189 235.2454 238.9104 240.8451 241.5325 244.1692 245.8205 246.8047 247.1862 250.1560 251.1365 295.0562 298.1178 313.1491 616.1912 623.0358 623.6186 625.9023 626.7075 628.5671 632.2212 634.3467 636.6970 637.5611 637.7102 643.0524 643.8990 644.2280 645.8162 646.5352 647.4934 649.9950 650.4776 653.9251 715.3793 903.0994 907.7994 1199.2437 1200.4945 1201.1536 1201.3532 1212.2314 1214.3269 1558.6050 1559.9102 1564.9637 -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 Cl F F F O O O O O O N N 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 -0.052393 -0.161299 -0.158381 -0.161333 -0.284551 -0.262665 -0.468710 -0.469071 -0.429478 -0.410480 -0.043694 -0.103389 0.322215 0.067505 0.007487 0.413198 -0.307849 -0.294076 0.112459 -0.197088 0.353367 -0.162199 0.333161 -0.172226 0.379282 0.050226 -0.185246 -0.107372 0.535394 0.093866 -0.179387 -0.282569 0.114011 0.106089 0.111750 0.114765 0.115880 0.111708 0.147444 0.138421 0.149095 0.115849 0.126001 0.138898 0.137704 0.108728 0.112809 0.133877 0.128567 0.113700 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 Cl F F F O O O O O O N N 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 17.0524 9.1613 9.1584 9.1613 8.2846 8.2627 8.4687 8.4691 8.4295 8.4105 7.0437 7.1034 5.6778 5.9325 5.9925 5.5868 6.3078 6.2941 5.8875 6.1971 5.6466 6.1622 5.6668 6.1722 5.6207 5.9498 6.1852 6.1074 5.4646 5.9061 6.1794 6.2826 0.8860 0.8939 0.8882 0.8852 0.8841 0.8883 0.8526 0.8616 0.8509 0.8842 0.8740 0.8611 0.8623 0.8913 0.8872 0.8661 0.8714 0.8863 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 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 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 -0.0524 -0.1613 -0.1584 -0.1613 -0.2846 -0.2627 -0.4687 -0.4691 -0.4295 -0.4105 -0.0437 -0.1034 0.3222 0.0675 0.0075 0.4132 -0.3078 -0.2941 0.1125 -0.1971 0.3534 -0.1622 0.3332 -0.1722 0.3793 0.0502 -0.1852 -0.1074 0.5354 0.0939 -0.1794 -0.2826 0.1140 0.1061 0.1118 0.1148 0.1159 0.1117 0.1474 0.1384 0.1491 0.1158 0.1260 0.1389 0.1377 0.1087 0.1128 0.1339 0.1286 0.1137 1.2675 1.1449 1.1520 1.1503 2.1561 2.1461 2.0476 2.0328 2.0903 2.0773 3.0994 3.3655 3.7841 3.6218 3.9780 4.2277 3.9401 3.9222 3.6060 4.1477 4.1952 3.8955 4.1965 4.1270 4.2198 3.9737 3.8674 3.9885 4.4221 3.8489 3.8956 3.9435 1.0168 1.0104 1.0043 1.0060 1.0093 1.0042 1.0209 1.0224 1.0054 1.0072 1.0095 0.9878 1.0115 0.9968 0.9953 1.0012 1.0085 1.0102 1.2675 1.1449 1.1520 1.1503 2.1561 2.1461 2.0476 2.0328 2.0903 2.0773 3.0994 3.3655 3.7841 3.6218 3.9780 4.2277 3.9401 3.9222 3.6060 4.1477 4.1952 3.8955 4.1965 4.1270 4.2198 3.9737 3.8674 3.9885 4.4221 3.8489 3.8956 3.9435 1.0168 1.0104 1.0043 1.0060 1.0093 1.0042 1.0209 1.0224 1.0054 1.0072 1.0095 0.9878 1.0115 0.9968 0.9953 1.0012 1.0085 1.0102 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1317 1.1271 1.1489 1.1326 0.8537 1.2055 1.1973 0.8715 1.8920 1.8561 1.9643 1.9032 0.7646 1.1545 1.1084 1.2149 1.1509 0.8960 0.9659 0.9401 0.9412 1.4600 1.4287 1.6668 0.9841 0.9778 0.9764 0.9917 0.9779 0.9771 0.9876 1.4013 0.9554 1.3116 0.9654 1.1367 0.9614 1.4606 0.9804 1.4040 0.9726 0.9699 0.9765 0.9765 0.9894 0.9700 0.9689 1.9098 0.9819 0.9864 0.9854 0 25 1 28 2 28 3 28 4 12 4 24 5 22 5 29 6 15 7 20 8 22 9 24 10 13 10 15 10 20 11 14 11 15 11 26 12 16 12 17 12 22 13 19 13 23 14 21 14 28 16 32 16 33 16 34 17 35 17 36 17 37 18 19 18 24 18 25 19 38 20 21 21 39 23 27 23 40 25 27 26 41 26 42 26 43 27 44 29 30 29 45 29 46 30 31 30 47 31 48 31 49 -0.029244997 -2093.845875292209 30.08442 -33.37990 -3.29548 12.18203 -11.78568 0.39635 12.32363 -10.75268 1.57095 3.67221 9.33402