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:3.2052,-2.8307,.7711;-6.3737,.8132,-2.3096;-7.0699,-.3958,-.685;-6.4232,1.6333,-.3317;2.2914,1.3068,-.1558;4.399,1.6294,1.4416;-2.5541,-.5658,1.8523;-1.8778,-.9855,-2.6035;5.6602,2.2424,-.3039;3.7114,-.3342,-.6727;-2.2263,-.7961,-.3715;-4.3198,-.1552,.4858;3.2557,2.3234,-.5004;-.9035,-1.2657,-.1096;-4.7558,.0309,-.8018;-3.0075,-.5036,.7301;2.6867,3.6189,.0655;3.4215,2.4256,-2.0063;1.4737,-.8751,-.0551;.1748,-.4215,-.282;-2.6315,-.6922,-1.6956;-3.9779,-.2112,-1.868;4.5848,2.036,.2005;-.7151,-2.5732,.304;2.6173,.0337,-.3262;1.6527,-2.1914,.3796;-5.1375,.0702,1.6832;.5638,-3.0301,.5613;-6.1697,.5267,-1.0301;5.5496,1.29,2.2444;6.042,-.0808,1.9192;5.9229,-1.1021,2.7574;3.394,4.4323,-.0916;1.7618,3.8758,-.451;2.4809,3.5448,1.1325;4.0152,3.3041,-2.2545;3.9041,1.5571,-2.4487;2.443,2.5523,-2.4689;.0043,.5941,-.6118;-4.3251,-.0663,-2.8784;-1.559,-3.2376,.4344;-6.1865,-.0977,1.4796;-4.8516,-.6491,2.4421;-4.9933,1.0754,2.0728;.7123,-4.0447,.9033;5.1943,1.3418,3.2719;6.3285,2.0429,2.113;6.5186,-.2238,.9551;6.2969,-2.0858,2.5059;5.453,-.9926,3.7279; 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 3515.3977002600 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 6.221e-06 Time for diagonalization 0.549 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.269 sec Total time needed 0.825 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:3.2052,-2.8307,.7711;-6.3737,.8132,-2.3096;-7.0699,-.3958,-.685;-6.4232,1.6333,-.3317;2.2914,1.3068,-.1558;4.399,1.6294,1.4416;-2.5541,-.5658,1.8523;-1.8778,-.9855,-2.6035;5.6602,2.2424,-.3039;3.7114,-.3342,-.6727;-2.2263,-.7961,-.3715;-4.3198,-.1552,.4858;3.2557,2.3234,-.5004;-.9035,-1.2657,-.1096;-4.7558,.0309,-.8018;-3.0075,-.5036,.7301;2.6867,3.6189,.0655;3.4215,2.4256,-2.0063;1.4737,-.8751,-.0551;.1748,-.4215,-.282;-2.6316,-.6922,-1.6956;-3.9779,-.2112,-1.868;4.5848,2.036,.2005;-.7151,-2.5732,.304;2.6173,.0337,-.3262;1.6527,-2.1914,.3796;-5.1375,.0702,1.6832;.5638,-3.0301,.5613;-6.1697,.5267,-1.0301;5.5496,1.29,2.2444;6.042,-.0808,1.9192;5.9229,-1.1021,2.7574;3.394,4.4324,-.0916;1.7618,3.8758,-.451;2.4809,3.5448,1.1325;4.0152,3.3041,-2.2545;3.9041,1.5571,-2.4487;2.443,2.5523,-2.4689;.0043,.5941,-.6118;-4.3251,-.0663,-2.8784;-1.559,-3.2376,.4344;-6.1865,-.0977,1.4796;-4.8516,-.6491,2.4421;-4.9933,1.0754,2.0728;.7123,-4.0447,.9033;5.1943,1.3418,3.2719;6.3285,2.0429,2.113;6.5186,-.2238,.9551;6.2969,-2.0858,2.5059;5.453,-.9926,3.7279; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 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:3.2052,-2.8307,.7711;-6.3737,.8132,-2.3096;-7.0699,-.3958,-.685;-6.4232,1.6333,-.3317;2.2914,1.3068,-.1558;4.399,1.6294,1.4416;-2.5541,-.5658,1.8523;-1.8778,-.9855,-2.6035;5.6602,2.2424,-.3039;3.7114,-.3342,-.6727;-2.2263,-.7961,-.3715;-4.3198,-.1552,.4858;3.2557,2.3234,-.5004;-.9035,-1.2657,-.1096;-4.7558,.0309,-.8018;-3.0075,-.5036,.7301;2.6867,3.6189,.0655;3.4215,2.4256,-2.0063;1.4737,-.8751,-.0551;.1748,-.4215,-.282;-2.6315,-.6922,-1.6956;-3.9779,-.2112,-1.868;4.5848,2.036,.2005;-.7151,-2.5732,.304;2.6173,.0337,-.3262;1.6527,-2.1914,.3796;-5.1375,.0702,1.6832;.5638,-3.0301,.5613;-6.1697,.5267,-1.0301;5.5496,1.29,2.2444;6.042,-.0808,1.9192;5.9229,-1.1021,2.7574;3.394,4.4323,-.0916;1.7618,3.8758,-.451;2.4809,3.5448,1.1325;4.0152,3.3041,-2.2545;3.9041,1.5571,-2.4487;2.443,2.5523,-2.4689;.0043,.5941,-.6118;-4.3251,-.0663,-2.8784;-1.559,-3.2376,.4344;-6.1865,-.0977,1.4796;-4.8516,-.6491,2.4421;-4.9933,1.0754,2.0728;.7123,-4.0447,.9033;5.1943,1.3418,3.2719;6.3285,2.0429,2.113;6.5186,-.2238,.9551;6.2969,-2.0858,2.5059;5.453,-.9926,3.7279; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2908 GEPOL Volume 2904.8692 GEPOL Surface-area 1609.4571 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -2093.80622114 3515.39770026 -5609.20392140 -9868.53580360 4259.33188220 -0.05961071 -4180.61577839 2086.80955725 2.00335280 122.000076503518 122.000076503518 244.000153007037 -168.849227569411 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 -2765.4430 -675.8819 -675.8720 -675.8599 -525.0560 -524.9122 -523.4633 -523.3586 -523.2342 -523.2033 -394.8555 -394.6136 -287.2720 -284.2184 -283.8652 -283.6126 -283.4270 -282.5400 -282.1700 -282.0648 -281.4306 -281.2415 -280.8875 -280.6597 -280.5470 -280.4376 -280.4083 -280.3234 -279.7805 -279.5718 -279.5117 -279.3876 -260.7166 -199.5568 -199.3195 -199.2989 -39.8043 -37.2326 -37.2059 -34.2830 -33.6937 -33.3383 -32.3475 -31.5545 -31.3706 -30.4888 -29.6821 -28.0697 -26.5220 -25.9776 -25.8224 -24.9351 -24.5663 -24.2595 -23.2276 -23.0113 -22.7202 -22.1509 -21.7685 -21.5851 -21.1346 -20.5218 -20.0943 -19.9930 -19.7611 -19.7354 -19.3407 -18.8376 -18.6027 -18.1838 -17.7030 -17.3294 -16.9799 -16.8263 -16.6418 -16.5401 -16.4289 -16.2989 -16.2106 -16.1647 -15.9045 -15.8433 -15.7566 -15.6183 -15.4407 -15.3019 -15.1821 -15.0083 -14.9468 -14.8501 -14.7405 -14.6319 -14.5513 -14.2533 -14.1866 -13.9730 -13.9573 -13.7615 -13.5974 -13.5011 -13.4019 -13.3176 -13.0400 -12.9202 -12.8074 -12.7246 -12.5570 -12.5336 -12.2681 -12.2115 -11.6729 -11.5358 -11.3591 -11.1803 -10.8378 -10.6223 -10.5331 -10.5020 -10.0073 -9.9452 -9.4253 -9.4048 0.1451 0.2739 1.0536 1.9475 1.9780 2.1827 2.8363 3.0504 3.3867 3.6049 4.1322 4.2746 4.3922 4.4456 4.5546 4.6440 4.7647 4.7914 4.8945 4.9485 4.9959 5.1209 5.4078 5.4448 5.5691 5.6392 5.7431 5.8039 5.8621 5.9038 5.9857 6.0465 6.2716 6.3442 6.4710 6.4743 6.5296 6.7156 6.7630 6.9226 7.0629 7.1118 7.1545 7.3025 7.3777 7.5270 7.6329 7.8268 7.9177 7.9547 8.1438 8.1734 8.2630 8.3497 8.5189 8.6846 8.7669 8.8906 9.0117 9.0566 9.2110 9.2475 9.3207 9.4263 9.5358 9.5711 9.6532 9.6908 9.9061 9.9247 10.0437 10.2081 10.2625 10.3066 10.4535 10.5093 10.5381 10.7384 10.8478 10.9185 10.9737 11.1417 11.2584 11.3160 11.4291 11.5149 11.5695 11.6358 11.6857 11.8798 12.0745 12.2031 12.2468 12.3378 12.3778 12.5994 12.6964 12.8253 12.8929 12.9883 13.0795 13.0984 13.2097 13.3372 13.3674 13.5642 13.6841 13.7450 13.8017 13.8799 13.9871 14.0542 14.1390 14.1633 14.3321 14.3953 14.4815 14.5017 14.5573 14.6919 14.8020 14.9359 14.9747 15.0117 15.0883 15.2242 15.2466 15.3786 15.4350 15.4859 15.6390 15.6986 15.8041 15.8985 16.0164 16.1638 16.2602 16.3098 16.4461 16.5276 16.6296 16.8310 16.8804 17.0530 17.1195 17.3192 17.3697 17.5436 17.5487 17.7756 17.8613 17.9732 18.0135 18.0636 18.1700 18.2604 18.4574 18.5416 18.6856 18.8110 18.9436 19.1268 19.2350 19.4644 19.5603 19.7829 19.8255 19.9007 19.9804 20.2124 20.3426 20.4770 20.6848 20.7702 20.8758 21.0975 21.2486 21.3225 21.4501 21.4720 21.5594 21.7401 21.7945 21.9235 22.0461 22.1760 22.3415 22.5340 22.5981 22.6992 22.7446 22.7660 22.9508 23.0852 23.2294 23.3719 23.6445 23.7481 23.8390 23.8642 24.1055 24.2305 24.3257 24.4565 24.6241 24.7104 24.8027 24.9453 24.9640 25.0904 25.2578 25.3239 25.4531 25.6151 25.7638 25.9118 25.9473 26.2289 26.3873 26.4167 26.5414 26.5558 26.7478 26.8999 26.9473 26.9957 27.1321 27.3113 27.5576 27.6125 27.7410 27.7750 27.8760 27.9466 28.0461 28.3146 28.4561 28.5509 28.6984 28.8157 29.0073 29.0874 29.0945 29.3534 29.3631 29.6555 29.7918 29.9678 30.2094 30.2885 30.3482 30.4687 30.5291 30.7040 30.7692 30.8859 31.0372 31.0980 31.1875 31.2895 31.3560 31.6048 31.7260 31.7946 32.0302 32.1998 32.3946 32.5093 32.6616 32.8180 32.8853 33.0447 33.1751 33.3575 33.4363 33.5566 33.8254 33.8699 33.9247 34.1703 34.3379 34.4270 34.6522 34.7930 34.8765 35.0549 35.2112 35.4035 35.4509 35.7850 35.8467 35.9287 36.0685 36.1325 36.2931 36.3212 36.6905 36.9341 37.0089 37.1280 37.1916 37.3987 37.4660 37.7294 37.8345 37.9019 38.0046 38.1124 38.4181 38.5146 38.6145 38.7867 38.8366 39.0044 39.1313 39.4237 39.6072 39.6941 39.7729 39.9266 40.0821 40.3381 40.5214 40.7253 40.9105 41.0156 41.1576 41.2745 41.3231 41.5198 41.6744 41.6919 41.7380 41.9346 41.9761 42.3761 42.5363 42.6644 42.7442 42.8559 42.9675 43.1446 43.2556 43.3626 43.6133 43.7548 43.7847 43.8936 43.9727 44.2297 44.3406 44.3889 44.4719 44.5836 44.7121 44.9932 45.0782 45.1402 45.2078 45.4419 45.4627 45.5190 45.6097 45.7490 45.8176 46.0449 46.1446 46.3597 46.4194 46.6568 46.8621 47.0708 47.2564 47.3695 47.5853 47.8039 47.9277 48.0928 48.3091 48.3904 48.4345 48.7384 48.9681 49.0220 49.2459 49.4593 49.5516 49.6108 49.8010 49.9801 50.0393 50.3633 50.5028 50.6862 51.0039 51.1298 51.2011 51.3979 51.5308 51.7338 52.0667 52.1769 52.3982 52.4499 52.6220 52.8314 52.9032 52.9139 53.2490 53.4594 53.6598 53.6975 54.0693 54.3181 54.3788 54.6098 55.0016 55.3484 55.6206 55.8456 55.9990 56.0813 56.1645 56.4801 56.8265 57.0871 57.1108 57.3988 57.4787 57.5138 57.6435 57.6851 57.9109 58.2112 58.2546 58.3814 58.4758 58.7474 58.9852 59.1602 59.3174 59.3681 59.5950 59.7526 60.0263 60.0594 60.4542 60.5283 60.6132 60.7593 61.1151 61.3228 61.4190 61.6758 61.7757 62.0033 62.1806 62.2933 62.5626 62.6800 62.8605 63.0880 63.3248 63.3707 63.4916 63.7289 63.8187 64.0915 64.3125 64.5512 64.6288 64.8264 64.9337 65.2299 65.5621 65.5952 65.7500 65.9468 66.0343 66.2915 66.3557 66.5954 66.8043 66.9236 67.0104 67.1405 67.2641 67.5820 67.9097 68.0290 68.1778 68.3593 68.8141 68.9079 69.0008 69.3209 69.9543 70.3012 70.3237 70.5679 70.7727 70.9349 71.3155 71.3365 71.7169 72.0100 72.1652 72.2369 72.5225 72.6415 72.9514 73.3344 73.4827 73.8750 73.9788 74.3135 74.3826 74.4286 74.6044 75.0574 75.0784 75.5530 75.8150 75.8767 76.0422 76.0647 76.2289 76.3873 76.5386 76.6746 76.7000 76.8097 77.0207 77.1900 77.4293 77.5720 77.7588 77.9663 78.1975 78.3828 78.5078 78.5959 78.9849 79.0893 79.1462 79.2224 79.3653 79.4096 79.5134 79.5605 79.6235 79.7620 79.8510 80.0049 80.1171 80.3514 80.4544 80.5522 80.5925 80.7891 80.9172 81.1427 81.2666 81.3411 81.3777 81.4797 81.6127 81.6820 81.8308 82.1052 82.2853 82.4068 82.5118 82.6715 82.7689 82.9717 82.9954 83.1452 83.3529 83.3961 83.4272 83.5187 83.7533 83.9425 84.0204 84.1218 84.2803 84.3505 84.4659 84.6708 84.8664 84.9697 85.1357 85.3434 85.4337 85.5811 85.6500 85.6763 85.8097 85.9793 86.0600 86.2404 86.4128 86.5263 86.6483 86.7691 86.9164 87.0537 87.1334 87.2720 87.5045 87.6520 87.7162 87.7582 88.1157 88.1745 88.3067 88.3798 88.4621 88.5536 88.7641 88.8704 88.9077 89.0748 89.2261 89.3068 89.4004 89.5762 89.7333 89.7387 90.0019 90.1800 90.2793 90.4325 90.4817 90.6611 90.6943 90.7261 90.9531 91.0846 91.2263 91.3688 91.5962 91.7221 91.8616 91.9452 92.0440 92.1440 92.2383 92.3402 92.4571 92.7149 92.7665 92.9384 93.0469 93.1061 93.4011 93.4562 93.4968 93.6573 93.8278 93.9869 94.0009 94.1580 94.3472 94.4457 94.5284 94.7090 94.8325 94.8831 94.9922 95.0887 95.2155 95.3927 95.5043 95.6098 95.7000 95.9754 96.0719 96.2266 96.3869 96.4412 96.7506 96.9661 97.2225 97.3556 97.5122 97.6885 97.8145 97.8469 97.8767 98.0626 98.1350 98.1874 98.3256 98.4459 98.5945 98.7609 98.9045 99.0155 99.1736 99.3082 99.4108 99.6419 99.8077 100.0461 100.3486 100.4066 100.6232 100.6745 100.8443 100.9453 101.0081 101.1658 101.3241 101.6022 101.7744 101.8346 102.0130 102.1458 102.1781 102.3448 102.5341 102.5968 102.9329 103.2852 103.3302 103.4640 103.6476 103.8131 104.1137 104.1360 104.2667 104.4499 104.5489 104.7953 104.8448 104.8819 104.9265 105.1689 105.2348 105.4768 105.6570 106.0051 106.2093 106.3480 106.5705 106.7246 106.8167 107.0293 107.1305 107.2802 107.3951 107.6234 107.9178 108.0679 108.1900 108.3062 108.5321 108.7611 108.9731 109.1451 109.2411 109.5621 109.7284 109.8223 110.3030 110.3616 110.5009 110.5886 110.7203 110.8367 110.9307 111.0936 111.1325 111.4270 111.4962 111.8284 111.8507 112.1100 112.2242 112.4355 112.5031 112.7509 112.9264 112.9778 113.1354 113.3528 113.6648 113.8916 113.9300 114.1274 114.2518 114.2886 114.4860 114.5498 114.6826 114.8361 115.1797 115.3911 115.4360 115.5152 115.7089 115.7719 116.0721 116.2233 116.2894 116.4533 116.5753 116.8967 116.9394 117.2042 117.2629 117.3891 117.4858 117.6154 117.7059 118.0355 118.2270 118.4813 118.6600 118.7638 118.9899 119.2147 119.3406 119.4712 119.5599 119.6516 119.9000 120.1252 120.1272 120.4368 120.7738 120.9050 121.3408 121.3733 121.5989 121.7447 121.9651 122.1840 122.4318 122.7474 122.8747 122.9724 123.3839 123.6978 124.0688 124.2741 124.6119 124.8958 125.1380 125.2811 125.7289 126.1523 126.2768 126.5497 126.7141 126.9171 126.9966 127.2305 127.5628 128.0020 128.0886 128.5589 128.9068 128.9445 129.2416 129.3805 129.5904 129.7804 129.9528 130.5986 130.7408 130.9061 131.1650 131.4342 131.6210 131.6799 131.9056 132.4210 132.6838 132.7740 133.2888 133.4284 133.5006 133.6276 133.7613 134.0423 134.3123 134.6578 135.2063 135.4106 135.5588 135.8739 136.3636 136.6688 136.8850 137.1761 137.3845 137.6477 137.8281 137.9965 138.2303 138.4282 138.7708 139.0028 139.3916 139.8141 140.0227 140.2713 140.7078 141.2253 141.4413 141.6155 141.8794 142.2781 142.5086 142.8332 142.9219 143.1477 143.3927 143.4214 143.4940 143.6969 143.9155 144.0560 144.4312 144.5097 144.7184 144.9737 145.0038 145.2077 145.2824 145.5242 145.6267 145.7696 145.9918 146.3690 146.8881 147.0999 147.5932 147.7708 147.9235 148.2022 148.2635 148.4474 148.5258 148.7278 148.9757 149.2102 149.6495 149.7694 150.1383 150.2258 150.2807 150.4425 150.5716 150.6798 150.8487 151.0649 151.2645 151.3364 151.5006 151.7447 151.9106 152.2900 152.5608 152.8021 152.8961 152.9261 153.0944 153.3788 154.1687 154.3599 154.8127 155.0493 155.6486 155.7188 155.8628 156.0705 156.3043 156.5158 156.8114 157.1010 157.4525 157.7698 157.8009 158.0850 158.5362 159.0082 159.0306 159.3957 160.2741 160.5688 160.5958 161.0988 161.5585 161.8118 163.3458 163.7280 165.0922 165.5461 166.0252 166.3749 167.5103 167.9274 168.7414 168.9859 170.2290 171.0693 171.9216 172.1372 172.4444 173.1170 174.3205 174.5433 175.0762 175.7694 176.9858 177.0374 177.5751 177.8391 178.3408 178.9732 179.2436 179.4989 179.5780 180.8168 182.8795 183.1158 185.1641 185.4340 186.1232 186.3238 187.0324 187.5853 187.6335 187.9844 188.1739 188.1937 188.2583 188.4222 188.4593 188.5811 188.7014 188.9693 189.0468 189.2898 189.3475 191.1105 191.9435 192.2468 192.7289 192.9259 193.8012 194.1811 194.2926 194.3744 195.2300 195.4472 195.7161 195.8102 196.5864 196.6299 198.1960 198.8329 199.4760 200.9017 202.7038 203.0673 204.1811 204.8774 205.5852 206.8711 207.1642 208.0282 209.1734 210.1124 222.3819 223.6559 223.9074 227.4987 227.7720 228.4746 228.8455 230.1290 232.3806 233.3584 235.3071 238.9315 240.8441 241.6177 244.2314 245.8949 246.8541 247.2362 250.1644 251.2287 295.8885 299.3382 313.2496 615.9775 622.9276 623.6017 625.9079 626.8320 628.4787 631.8066 634.3776 636.3019 636.4439 637.6096 642.4005 643.7827 644.2201 646.2060 646.5383 647.4221 649.7685 650.6728 653.7884 716.5063 902.9436 907.5832 1199.3416 1199.5698 1200.3232 1201.5647 1210.5347 1213.9335 1558.4979 1559.8762 1565.2460 -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 -0.055049 -0.158298 -0.161611 -0.161717 -0.294290 -0.272823 -0.496358 -0.497553 -0.462313 -0.438056 -0.048899 -0.099152 0.323850 0.048585 0.013049 0.434166 -0.295274 -0.317904 0.052056 -0.147741 0.373830 -0.158856 0.359014 -0.170680 0.447884 0.048223 -0.180481 -0.111704 0.535749 0.067583 -0.215873 -0.248795 0.112865 0.113074 0.115687 0.111787 0.114399 0.115862 0.146451 0.139078 0.159470 0.123463 0.115443 0.141024 0.141827 0.117201 0.112086 0.150645 0.135161 0.123918 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 17.0550 9.1583 9.1616 9.1617 8.2943 8.2728 8.4964 8.4976 8.4623 8.4381 7.0489 7.0992 5.6762 5.9514 5.9870 5.5658 6.2953 6.3179 5.9479 6.1477 5.6262 6.1589 5.6410 6.1707 5.5521 5.9518 6.1805 6.1117 5.4643 5.9324 6.2159 6.2488 0.8871 0.8869 0.8843 0.8882 0.8856 0.8841 0.8535 0.8609 0.8405 0.8765 0.8846 0.8590 0.8582 0.8828 0.8879 0.8494 0.8648 0.8761 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 -0.0550 -0.1583 -0.1616 -0.1617 -0.2943 -0.2728 -0.4964 -0.4976 -0.4623 -0.4381 -0.0489 -0.0992 0.3238 0.0486 0.0130 0.4342 -0.2953 -0.3179 0.0521 -0.1477 0.3738 -0.1589 0.3590 -0.1707 0.4479 0.0482 -0.1805 -0.1117 0.5357 0.0676 -0.2159 -0.2488 0.1129 0.1131 0.1157 0.1118 0.1144 0.1159 0.1465 0.1391 0.1595 0.1235 0.1154 0.1410 0.1418 0.1172 0.1121 0.1506 0.1352 0.1239 1.2651 1.1527 1.1451 1.1505 2.1574 2.1438 2.0140 2.0070 2.0455 2.0505 3.1312 3.3802 3.7769 3.6603 3.9752 4.2038 3.9237 3.9416 3.6511 4.1321 4.1819 3.8868 4.1916 4.1043 4.1296 3.9709 3.8674 3.9949 4.4241 3.8222 3.7815 3.9450 1.0044 1.0017 1.0136 1.0072 1.0138 1.0033 1.0305 1.0216 1.0012 1.0117 1.0052 0.9877 1.0101 1.0020 1.0106 1.0055 1.0011 1.0085 1.2651 1.1527 1.1451 1.1505 2.1574 2.1438 2.0140 2.0070 2.0455 2.0505 3.1312 3.3802 3.7769 3.6603 3.9752 4.2038 3.9237 3.9416 3.6511 4.1321 4.1819 3.8868 4.1916 4.1043 4.1296 3.9709 3.8674 3.9949 4.4241 3.8222 3.7815 3.9450 1.0044 1.0017 1.0136 1.0072 1.0138 1.0033 1.0305 1.0216 1.0012 1.0117 1.0052 0.9877 1.0101 1.0020 1.0106 1.0055 1.0011 1.0085 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.1214 1.1499 1.1273 1.1332 0.8482 1.1997 1.2140 0.8543 1.8560 1.8467 1.9215 1.8613 0.7992 1.1592 1.1064 1.2181 1.1579 0.8960 0.9309 0.9642 0.9512 1.4630 1.4157 1.6632 0.9816 0.9756 0.9874 0.9800 0.9753 0.9781 0.9925 1.4175 0.9605 1.3035 0.9592 1.1377 0.9613 1.4642 0.9771 1.4052 0.9697 0.9733 0.9763 0.9768 0.9414 0.9872 0.9982 1.8887 0.9714 0.9968 0.9991 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 -0.027944799 -2093.834165939010 39.58771 -43.21308 -3.62537 14.50331 -13.73806 0.76525 11.41168 -9.82558 1.58609 4.03046 10.24461