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:3.3902,-3.5453,.5482;-6.3094,.7842,.1657;-5.4395,2.3003,-1.1022;-6.1834,.4832,-1.9515;2.9772,.3551,-1.1624;2.6257,2.0789,.763;-1.5117,.333,1.5408;-2.0899,-2.0891,-2.2392;4.8116,2.57,.8092;3.987,-.6089,.5859;-1.8111,-.8793,-.3399;-3.4023,.7156,.3326;3.8663,1.4939,-1.1447;-.5507,-1.5106,-.112;-4.1833,.335,-.7315;-2.2034,.0776,.5785;3.2476,2.4973,-2.1102;5.2679,1.1213,-1.5911;1.8525,-1.3907,-.1028;.6134,-.7998,-.3311;-2.5298,-1.2599,-1.4664;-3.8024,-.604,-1.6094;3.8478,2.0958,.2643;-.5019,-2.8264,.3132;3.0654,-.5394,-.1874;1.8943,-2.7218,.3139;-3.7675,1.8128,1.2365;.7245,-3.4382,.5084;-5.5404,.9863,-.9048;2.4106,2.4268,2.1478;2.7522,1.2653,3.0246;1.8358,.4167,3.4739;3.2772,2.1037,-3.1263;2.2135,2.7267,-1.8561;3.8187,3.4248,-2.0948;5.8686,2.022,-1.7091;5.7814,.4598,-.8977;5.2184,.6332,-2.5644;.5549,.2293,-.6583;-4.4208,-.9024,-2.4406;-1.4121,-3.3838,.4906;-2.9872,1.9249,1.9771;-3.8438,2.7494,.6929;-4.6925,1.6003,1.7629;.7654,-4.4725,.8197;1.3497,2.6621,2.2069;2.9784,3.3211,2.406;3.7991,1.1135,3.2647;2.1064,-.4322,4.0885;.7835,.5366,3.2435; 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 3618.4996757449 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 6.077e-06 Time for diagonalization 0.546 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.265 sec Total time needed 0.819 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:3.3902,-3.5453,.5482;-6.3094,.7842,.1657;-5.4395,2.3003,-1.1022;-6.1834,.4832,-1.9515;2.9772,.3551,-1.1624;2.6257,2.0789,.763;-1.5117,.333,1.5408;-2.0899,-2.0891,-2.2392;4.8116,2.57,.8092;3.987,-.6089,.5859;-1.8111,-.8793,-.3399;-3.4023,.7156,.3326;3.8663,1.4939,-1.1447;-.5507,-1.5106,-.112;-4.1833,.335,-.7315;-2.2034,.0776,.5785;3.2476,2.4973,-2.1102;5.2679,1.1213,-1.5911;1.8525,-1.3907,-.1028;.6134,-.7999,-.3311;-2.5298,-1.2599,-1.4664;-3.8024,-.604,-1.6094;3.8478,2.0958,.2643;-.5019,-2.8264,.3132;3.0654,-.5394,-.1874;1.8943,-2.7218,.3139;-3.7675,1.8128,1.2365;.7245,-3.4382,.5084;-5.5404,.9863,-.9048;2.4106,2.4268,2.1478;2.7522,1.2653,3.0246;1.8358,.4167,3.4739;3.2772,2.1037,-3.1263;2.2135,2.7267,-1.8561;3.8187,3.4248,-2.0948;5.8686,2.022,-1.7091;5.7814,.4598,-.8977;5.2184,.6332,-2.5644;.5549,.2293,-.6583;-4.4208,-.9024,-2.4406;-1.4121,-3.3838,.4906;-2.9872,1.9249,1.9771;-3.8438,2.7494,.6929;-4.6925,1.6003,1.7629;.7654,-4.4725,.8197;1.3497,2.6621,2.2069;2.9784,3.3211,2.406;3.7991,1.1135,3.2647;2.1064,-.4322,4.0885;.7835,.5366,3.2435; 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:3.3902,-3.5453,.5482;-6.3094,.7842,.1657;-5.4395,2.3003,-1.1022;-6.1834,.4832,-1.9515;2.9772,.3551,-1.1624;2.6257,2.0789,.763;-1.5117,.333,1.5408;-2.0899,-2.0891,-2.2392;4.8116,2.57,.8092;3.987,-.6089,.5859;-1.8111,-.8793,-.3399;-3.4023,.7156,.3326;3.8663,1.4939,-1.1447;-.5507,-1.5106,-.112;-4.1833,.335,-.7315;-2.2034,.0776,.5785;3.2476,2.4973,-2.1102;5.2679,1.1213,-1.5911;1.8525,-1.3907,-.1028;.6134,-.7998,-.3311;-2.5298,-1.2599,-1.4664;-3.8024,-.604,-1.6094;3.8478,2.0958,.2643;-.5019,-2.8264,.3132;3.0654,-.5394,-.1874;1.8943,-2.7218,.3139;-3.7675,1.8128,1.2365;.7245,-3.4382,.5084;-5.5404,.9863,-.9048;2.4106,2.4268,2.1478;2.7522,1.2653,3.0246;1.8358,.4167,3.4739;3.2772,2.1037,-3.1263;2.2135,2.7267,-1.8561;3.8187,3.4248,-2.0948;5.8686,2.022,-1.7091;5.7814,.4598,-.8977;5.2184,.6332,-2.5644;.5549,.2293,-.6583;-4.4208,-.9024,-2.4406;-1.4121,-3.3838,.4906;-2.9872,1.9249,1.9771;-3.8438,2.7494,.6929;-4.6925,1.6003,1.7629;.7654,-4.4725,.8197;1.3497,2.6621,2.2069;2.9784,3.3211,2.406;3.7991,1.1135,3.2647;2.1064,-.4322,4.0885;.7835,.5366,3.2435; 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 2889 GEPOL Volume 2914.2557 GEPOL Surface-area 1628.2558 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -2093.80256925 3618.49967574 -5712.30224500 -10074.34492964 4362.04268465 -0.05613337 -4180.62849533 2086.82592608 2.00334318 121.999901313873 121.999901313873 243.999802627747 -168.851503730431 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 -2765.4819 -675.8700 -675.8572 -675.8509 -525.0215 -524.9270 -523.4887 -523.4262 -523.2160 -523.2159 -394.8434 -394.6274 -287.2591 -284.2497 -283.8709 -283.6507 -283.4320 -282.5166 -282.1806 -282.0417 -281.4316 -281.2607 -280.8499 -280.5828 -280.5353 -280.4374 -280.4140 -280.3333 -279.7986 -279.5891 -279.5104 -279.3743 -260.7559 -199.5951 -199.3577 -199.3404 -39.7967 -37.2143 -37.2070 -34.2943 -33.6753 -33.3249 -32.3523 -31.5721 -31.4225 -30.4851 -29.6724 -28.0862 -26.5337 -25.9687 -25.8145 -24.9429 -24.5738 -24.2689 -23.2183 -23.0133 -22.7430 -22.1361 -21.7493 -21.5801 -21.1159 -20.5152 -20.1812 -19.9446 -19.7614 -19.7437 -19.3400 -18.8606 -18.5647 -18.1950 -17.6961 -17.3237 -16.9474 -16.7873 -16.6668 -16.5621 -16.5060 -16.2893 -16.2621 -16.1176 -15.9129 -15.8308 -15.8078 -15.6305 -15.4149 -15.2382 -15.1334 -14.9494 -14.9137 -14.8696 -14.7361 -14.6302 -14.5367 -14.2983 -14.2158 -14.1044 -14.0009 -13.8191 -13.5643 -13.5106 -13.3715 -13.2939 -13.1312 -12.8580 -12.7828 -12.7595 -12.5201 -12.4978 -12.2880 -12.1423 -11.7744 -11.3540 -11.3253 -11.1902 -10.9038 -10.6570 -10.6154 -10.5569 -10.0450 -9.9004 -9.4298 -9.3872 0.1178 0.3247 1.0727 1.8096 1.9629 2.1114 2.7919 3.0245 3.3197 3.6250 4.0713 4.1751 4.2962 4.4009 4.5221 4.6308 4.6954 4.8296 4.8687 4.9823 5.1017 5.1365 5.3877 5.4011 5.4613 5.6433 5.8321 5.8813 6.0397 6.0882 6.1392 6.1763 6.2729 6.3386 6.4597 6.5452 6.6261 6.7729 6.8739 6.9086 7.0356 7.0759 7.2150 7.2379 7.3185 7.4870 7.5932 7.8445 7.9054 8.0747 8.1728 8.2188 8.3486 8.4043 8.4894 8.5910 8.8218 8.8955 9.0368 9.0627 9.0775 9.1336 9.2245 9.3504 9.5274 9.7558 9.8158 9.9595 10.0201 10.0627 10.1739 10.2086 10.3353 10.4612 10.5231 10.5663 10.7470 10.7954 10.8605 10.9979 11.1148 11.2329 11.2640 11.4274 11.4519 11.5933 11.6999 11.7750 11.7821 11.8881 11.9777 12.2171 12.3186 12.3483 12.3735 12.5672 12.7832 12.8768 13.0156 13.0332 13.0965 13.2435 13.3001 13.4236 13.5958 13.7342 13.7729 13.8748 13.9109 13.9812 14.0705 14.0795 14.1601 14.2470 14.3649 14.4180 14.4735 14.5684 14.6475 14.7831 14.8289 14.9092 14.9608 15.0627 15.1321 15.2885 15.3211 15.4618 15.5024 15.6643 15.7233 15.8449 15.9627 16.0961 16.2131 16.2753 16.4438 16.4678 16.7585 16.8320 16.8908 17.0347 17.1337 17.2841 17.4272 17.4940 17.5541 17.6034 17.8525 17.9353 18.0617 18.1814 18.2594 18.4209 18.5072 18.5611 18.5919 18.7041 18.8854 18.9945 19.0457 19.1387 19.3836 19.4608 19.5587 19.7801 19.8778 19.9658 20.1017 20.2618 20.3365 20.4646 20.6592 20.7606 20.9106 21.0611 21.2325 21.3045 21.4011 21.5258 21.6188 21.7038 21.9200 22.0494 22.1263 22.2140 22.3079 22.5621 22.6093 22.7419 22.8375 22.8680 23.0803 23.2550 23.3012 23.4671 23.6420 23.6687 23.8940 24.0615 24.1900 24.3495 24.4301 24.5091 24.5919 24.7460 24.7737 24.9604 25.1037 25.1682 25.3571 25.4449 25.6041 25.6820 25.7428 25.9420 26.0462 26.2798 26.3945 26.5399 26.7313 26.9635 27.0516 27.1142 27.1826 27.2801 27.4521 27.5117 27.6136 27.6467 27.8712 28.0531 28.1319 28.2036 28.3091 28.4076 28.5613 28.6497 28.8806 29.0033 29.1340 29.2290 29.2845 29.4076 29.6610 29.8279 29.9577 30.1299 30.2320 30.2656 30.4597 30.5367 30.8229 30.8631 31.0802 31.1877 31.3124 31.5157 31.5314 31.7742 31.8174 31.9369 31.9914 32.2223 32.3088 32.4374 32.5804 32.6797 32.7905 32.9794 33.0506 33.1889 33.2729 33.5096 33.5591 33.7593 33.8835 33.9732 34.2435 34.3399 34.5352 34.5904 34.7414 34.8918 34.9819 35.1737 35.4861 35.5419 35.5686 35.7262 36.0022 36.0609 36.1833 36.2917 36.5059 36.5683 36.6502 36.8335 36.9755 37.1170 37.3029 37.4715 37.5598 37.7124 37.8815 38.0220 38.0719 38.1730 38.4483 38.5347 38.7843 39.0158 39.1073 39.2198 39.5275 39.7093 39.8257 40.0788 40.1710 40.3971 40.5623 40.6028 40.6936 40.8395 41.0835 41.2005 41.2401 41.4290 41.4379 41.7750 41.8502 41.9480 42.0638 42.1419 42.3371 42.5649 42.6921 42.8037 42.9205 43.0069 43.1404 43.2539 43.4428 43.6162 43.7204 43.8140 43.9627 44.1670 44.2466 44.4046 44.4626 44.5118 44.5926 44.7909 44.8506 45.0450 45.3265 45.4139 45.5260 45.6236 45.7024 45.7779 45.9599 46.1609 46.1771 46.3192 46.5714 46.7248 46.8237 46.9251 47.0743 47.2453 47.2977 47.6680 47.7716 47.8645 48.0510 48.3242 48.4318 48.5947 48.8058 48.9036 49.0784 49.4323 49.5689 49.6640 49.7666 49.8892 50.0606 50.2727 50.3724 50.4994 50.6670 50.6969 50.9561 50.9995 51.3745 51.4333 51.6554 51.7987 51.8878 52.1142 52.2371 52.4044 52.7331 52.8232 53.0292 53.3247 53.3637 53.5790 53.6301 53.8417 53.9874 54.2567 54.5567 54.8281 55.1265 55.4143 55.6408 55.7870 55.8274 56.2726 56.3390 56.7816 56.8387 57.0379 57.1684 57.3579 57.4439 57.5585 57.6379 57.8632 58.1330 58.3546 58.4982 58.7386 58.7886 58.9940 59.0901 59.3059 59.4563 59.7718 59.8272 59.9205 60.0750 60.1007 60.2209 60.3828 60.6141 61.2082 61.3381 61.4639 61.5775 61.7687 61.8458 62.0403 62.3140 62.3285 62.5676 62.7474 62.9175 63.0505 63.1841 63.2935 63.5673 63.6304 63.9299 64.2329 64.3184 64.4902 64.7911 64.9890 65.2646 65.2983 65.4121 65.5705 65.8010 65.9869 66.0621 66.3521 66.4712 66.6071 66.7521 66.8490 67.0318 67.1273 67.2237 67.4452 67.7051 67.9789 68.2288 68.3785 68.5339 69.0387 69.1671 69.4644 69.7640 70.1119 70.3841 70.5682 70.6848 71.0832 71.5363 71.7186 71.9035 71.9927 72.3397 72.4578 72.5594 72.9704 73.2106 73.4517 73.6579 73.9140 73.9823 74.2835 74.3835 74.4725 74.6493 74.7235 75.1571 75.4855 75.7702 75.8039 75.8443 76.0635 76.4468 76.5953 76.6718 76.8244 77.1419 77.2401 77.3222 77.5692 77.6192 77.8174 78.1096 78.3634 78.4419 78.6740 78.7054 78.7933 79.0208 79.1472 79.2680 79.3177 79.4176 79.5871 79.6956 79.7618 79.8460 79.9475 80.0570 80.1404 80.2080 80.3244 80.5533 80.6288 80.7277 80.9588 81.0564 81.1483 81.3041 81.4363 81.6288 81.6995 81.7102 81.8351 81.9831 82.1215 82.2718 82.2827 82.6551 82.7604 82.8695 83.0726 83.3004 83.3354 83.4759 83.6723 83.9150 83.9600 84.0950 84.1446 84.2939 84.3870 84.5137 84.5452 84.7287 84.8087 84.9378 85.1521 85.2471 85.4014 85.6533 85.7481 85.8571 85.8682 86.0129 86.2171 86.2538 86.4309 86.5527 86.6541 86.7001 86.8887 86.9590 87.2177 87.3714 87.5194 87.6939 87.7528 87.9330 87.9576 88.2032 88.2474 88.3485 88.5101 88.5610 88.6787 88.8014 89.0121 89.1354 89.1982 89.2176 89.5167 89.6426 89.8459 89.8928 89.9399 90.2985 90.3664 90.4266 90.4748 90.6135 90.7833 91.0059 91.0213 91.1923 91.3426 91.4505 91.6439 91.7135 91.8411 91.9731 92.0314 92.3000 92.4038 92.5036 92.5385 92.6865 92.8060 92.8665 92.9608 93.0027 93.3507 93.4575 93.5908 93.6524 93.7092 93.9779 94.0843 94.2066 94.4572 94.5059 94.6018 94.6536 94.7705 94.8368 94.9015 95.0959 95.1338 95.2592 95.3521 95.5279 95.7162 95.8714 95.9430 96.1009 96.3272 96.3701 96.5198 96.7438 97.0838 97.1737 97.1920 97.3319 97.4860 97.5213 97.6507 97.9346 98.0116 98.1318 98.3230 98.3674 98.5633 98.7251 98.9193 99.0586 99.1355 99.2147 99.4018 99.5247 99.6530 99.9626 100.1150 100.2376 100.4609 100.5596 100.6799 100.8169 100.9705 101.0134 101.1581 101.3166 101.5474 101.8832 102.0070 102.1561 102.4926 102.5862 102.6589 102.8395 102.8786 103.2006 103.2527 103.7430 103.8437 103.9372 104.0721 104.1348 104.3586 104.4565 104.6540 104.7558 104.8935 104.9403 105.0798 105.1665 105.4042 105.4799 105.7686 105.8874 106.1604 106.3632 106.4374 106.5580 106.7209 106.9045 106.9587 107.2164 107.3170 107.5665 107.7292 108.1411 108.2528 108.4235 108.5424 108.6665 108.8358 108.8816 109.2624 109.3488 109.4669 109.5744 109.7980 110.1420 110.2999 110.3590 110.4941 110.7406 110.9104 110.9802 111.2649 111.3965 111.4401 111.6765 111.7536 111.9296 112.0251 112.1132 112.2708 112.4833 112.8651 113.0860 113.2425 113.3873 113.4767 113.5175 113.5916 113.9653 114.1677 114.4223 114.5488 114.5943 114.9424 115.1074 115.2023 115.4031 115.4298 115.5786 115.7100 115.8596 116.0292 116.1153 116.2106 116.4268 116.4472 116.5842 116.6873 116.9753 117.2702 117.4549 117.6054 117.8535 118.0136 118.1873 118.2122 118.4759 118.5530 118.6626 118.9199 119.1466 119.2287 119.2398 119.4268 119.4627 119.7107 119.9442 120.0865 120.3259 120.5941 120.7964 121.0338 121.4368 121.6040 121.7065 121.9243 122.0571 122.2467 122.6603 122.9298 123.2128 123.3757 123.6186 123.8032 123.9202 124.3177 124.5616 124.7613 125.2068 125.6702 125.8342 126.1092 126.2508 126.5060 126.6782 126.8937 127.2555 127.4666 127.7049 127.8980 128.0838 128.2545 128.7007 128.8645 128.8999 129.2141 129.3373 129.8027 129.9764 130.7563 130.8471 130.8541 131.2380 131.5011 131.5973 131.7518 131.9693 132.6326 132.7630 133.1118 133.2038 133.3720 133.5529 133.8109 133.8481 134.2202 134.3654 134.9378 135.0935 135.5815 135.7693 135.9877 136.1756 136.3037 136.6757 137.0029 137.2552 137.5180 137.7673 137.9061 138.2123 138.4406 138.5279 139.0722 139.3193 140.0844 140.4004 140.5428 140.9157 141.1871 141.3348 141.5299 142.0070 142.3813 142.6198 142.7755 143.0388 143.1776 143.3185 143.5028 143.5832 143.6239 143.8921 144.1511 144.4834 144.6153 144.7663 144.9408 145.1819 145.3453 145.4240 145.6545 145.9073 146.1108 146.3919 146.4520 146.8382 147.6641 147.7337 147.9683 148.0453 148.2351 148.4550 148.5303 148.6617 148.7909 149.0622 149.3480 149.5984 149.8477 150.0939 150.1773 150.2775 150.3656 150.5621 150.6851 150.8622 151.1121 151.3232 151.5102 151.6844 151.7666 152.0438 152.2006 152.4742 152.8389 152.8989 153.3150 153.4994 153.7496 154.0918 154.3505 154.6270 155.2447 155.5323 155.9628 156.0009 156.3071 156.4498 156.7498 157.1254 157.2281 157.4218 157.6359 157.8710 158.2435 158.6160 159.0146 159.0967 159.2714 160.2454 160.6562 160.7901 161.1340 161.5356 162.2060 163.5665 163.8400 164.4577 165.5981 166.0135 166.9297 167.5692 168.4722 168.9024 169.1326 170.3402 171.2735 171.9337 172.1346 172.4009 173.1055 174.0083 174.6931 175.6548 175.9710 176.8711 176.8932 177.7667 177.9291 178.4969 178.9900 179.3689 179.7026 180.3281 180.5561 182.2383 183.4363 185.5488 185.6701 185.9402 186.3576 187.0529 187.6798 187.7393 187.9838 188.1103 188.1522 188.2047 188.4425 188.4857 188.6372 188.7237 188.9867 189.0646 189.2829 189.8857 190.8027 192.0042 192.2025 192.2777 193.0440 193.5081 194.3632 194.4088 194.6448 195.3180 195.4605 195.8467 196.1393 196.5293 197.3855 198.2356 198.5192 199.0703 201.2099 202.7798 203.1413 204.3512 204.9220 205.1425 206.7612 207.5277 207.9305 209.1164 210.2109 222.0623 223.6031 223.9155 227.3694 227.6610 228.3977 228.8483 230.0687 232.3924 233.4715 235.3402 238.8802 240.8225 241.8462 244.3856 245.9774 246.9828 247.2629 250.2610 251.2830 295.0513 298.1462 313.1194 615.7343 622.7021 623.5700 626.0773 627.8449 628.4267 632.0332 634.2033 636.4365 636.8217 637.8471 642.2647 643.7181 644.4175 646.6080 647.3565 647.5211 650.5513 651.0264 653.5336 715.3620 902.6285 907.4258 1199.0080 1199.6197 1200.8878 1202.4222 1210.8815 1213.9798 1557.7270 1559.8503 1565.2560 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 -0.055257 -0.161800 -0.161178 -0.159564 -0.294000 -0.266028 -0.504359 -0.495959 -0.450953 -0.427312 -0.051549 -0.085873 0.327416 0.087602 0.013678 0.431908 -0.296486 -0.302317 0.103346 -0.186406 0.371756 -0.150652 0.345381 -0.189620 0.377887 0.040271 -0.207121 -0.096557 0.540209 0.036346 -0.191082 -0.257348 0.112616 0.116578 0.115641 0.109493 0.111037 0.112056 0.142173 0.138822 0.159015 0.115918 0.141589 0.141958 0.142235 0.121022 0.121188 0.153969 0.136110 0.124204 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 17.0553 9.1618 9.1612 9.1596 8.2940 8.2660 8.5044 8.4960 8.4510 8.4273 7.0515 7.0859 5.6726 5.9124 5.9863 5.5681 6.2965 6.3023 5.8967 6.1864 5.6282 6.1507 5.6546 6.1896 5.6221 5.9597 6.2071 6.0966 5.4598 5.9637 6.1911 6.2573 0.8874 0.8834 0.8844 0.8905 0.8890 0.8879 0.8578 0.8612 0.8410 0.8841 0.8584 0.8580 0.8578 0.8790 0.8788 0.8460 0.8639 0.8758 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 -0.0553 -0.1618 -0.1612 -0.1596 -0.2940 -0.2660 -0.5044 -0.4960 -0.4510 -0.4273 -0.0515 -0.0859 0.3274 0.0876 0.0137 0.4319 -0.2965 -0.3023 0.1033 -0.1864 0.3718 -0.1507 0.3454 -0.1896 0.3779 0.0403 -0.2071 -0.0966 0.5402 0.0363 -0.1911 -0.2573 0.1126 0.1166 0.1156 0.1095 0.1110 0.1121 0.1422 0.1388 0.1590 0.1159 0.1416 0.1420 0.1422 0.1210 0.1212 0.1540 0.1361 0.1242 1.2642 1.1472 1.1475 1.1519 2.1579 2.1283 1.9999 2.0081 2.0579 2.0473 3.1338 3.3527 3.7303 3.6474 3.9828 4.1810 3.9304 3.9412 3.5439 4.1135 4.1761 3.8903 4.1995 4.1075 4.2231 3.9708 3.8389 3.9754 4.4094 3.8317 3.7489 3.9344 1.0032 1.0079 1.0041 1.0076 1.0173 1.0049 1.0367 1.0213 1.0016 1.0241 0.9929 0.9950 1.0083 1.0012 1.0113 1.0019 1.0023 1.0143 1.2642 1.1472 1.1475 1.1519 2.1579 2.1283 1.9999 2.0081 2.0579 2.0473 3.1338 3.3527 3.7303 3.6474 3.9828 4.1810 3.9304 3.9412 3.5439 4.1135 4.1761 3.8903 4.1995 4.1075 4.2231 3.9708 3.8389 3.9754 4.4094 3.8317 3.7489 3.9344 1.0032 1.0079 1.0041 1.0076 1.0173 1.0049 1.0367 1.0213 1.0016 1.0241 0.9929 0.9950 1.0083 1.0012 1.0113 1.0019 1.0023 1.0143 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.1330 1.1325 1.1317 1.1474 0.8348 1.2313 1.2115 0.8536 1.8301 1.8467 1.9428 1.8732 0.8023 1.1536 1.1056 1.1978 1.1669 0.8791 0.9391 0.9726 0.9344 1.4450 1.4184 1.6680 0.9870 0.9878 0.9763 0.9778 0.9766 0.9773 0.9908 1.3955 0.9554 1.2941 0.9735 1.1324 0.9623 1.4524 0.9761 1.4059 0.9718 0.9727 0.9732 0.9782 0.9349 0.9899 1.0004 1.8780 0.9724 0.9947 0.9994 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 -0.030144654 -2093.832713907098 32.03865 -35.51074 -3.47209 17.02335 -15.58418 1.43917 7.37340 -7.58757 -0.21417 3.76464 9.56895