Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 Cl 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 H H H H H H H H H H H H H H H H H H H H H H H H H H H 1 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 371.6666999999997 AuxInfo=1/0/N:13,14,25,26,27,18,19,21,22,15,10,23,16,24,11,20,9,12,17,1,7,8,6,2,5,4,3/E:(1,2)(3,4)(6,7)(8,9)/CRV:6.3,7.3,8.3,9.3,13.3,14.3,16.3,18.3,19.3,23.1,24.1,25.1/rA:54nClO1OOO1O1NNCCCC3CCCC3C3C3C3C3C3C3CC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s9;s7;s2s7s9;s10;s10;s11;s11;s3s5s8;s16;s16;s4s6s15;s18;s19;s3;s1s21s22;s23;s23;s4;s9;s10;s11;s7;s13;s13;s13;s14;s14;s14;s8;s15;s15;s18;s19;s21;s22;s23;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-6.1374,-1.0711,-.9901;.8391,-1.1253,-1.2546;4.7353,.8789,-2.3224;-2.3702,-1.3403,4.0446;4.4304,1.7148,-.2471;-.953,.2615,3.4146;.3536,-.5393,.8686;2.7119,.8346,-1.4508;1.6938,.9787,-.4436;.726,2.1522,-.7166;-.5243,-1.6595,1.1178;.9281,-.3333,-.3231;-.088,1.9677,-1.9915;1.4849,3.4733,-.7425;-.6052,-1.9736,2.6184;-1.9128,-1.4745,.5401;3.9932,1.1903,-1.2576;-2.4614,-.2194,.3048;-2.6901,-2.6016,.2907;-1.3111,-.8958,3.3935;-3.7605,-.0879,-.1682;-3.988,-2.4887,-.1793;6.1381,1.2218,-2.3158;-4.5138,-1.2253,-.4028;6.3227,2.6725,-2.7125;6.809,.268,-3.2795;-3.1158,-.3983,4.8212;2.1894,1.1774,.5085;.0339,2.1811,.1316;-.0784,-2.5407,.6533;.413,.1872,1.5682;-.7375,1.0922,-1.9552;.5529,1.8767,-2.8711;-.7304,2.8346,-2.1511;2.0557,3.6313,.1736;.7872,4.3056,-.8436;2.1757,3.5257,-1.5861;2.4566,.397,-2.3236;-1.1096,-2.9301,2.7424;.4048,-2.0822,3.0212;-1.8829,.679,.4805;-2.2776,-3.5887,.4636;-4.1733,.8954,-.3482;-4.5772,-3.3751,-.371;6.5399,1.0566,-1.314;5.9397,2.857,-3.7174;7.3843,2.9208,-2.7087;5.8251,3.3535,-2.0222;7.8815,.4603,-3.2918;6.6626,-.7704,-2.9811;6.4352,.3941,-4.2969;-3.9363,-.9581,5.259;-2.5071,.0299,5.6163;-3.5167,.3995,4.1976; 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 1622 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 212 Dim 1226 ENuc 2710.7873103970 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 6.339e-06 Time for diagonalization 0.525 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.252 sec Total time needed 0.783 sec 17 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 371.6666999999997 AuxInfo=1/0/N:13,14,25,26,27,18,19,21,22,15,10,23,16,24,11,20,9,12,17,1,7,8,6,2,5,4,3/E:(1,2)(3,4)(6,7)(8,9)/CRV:6.3,7.3,8.3,9.3,13.3,14.3,16.3,18.3,19.3,23.1,24.1,25.1/rA:54nClO1OOO1O1NNCCCC3CCCC3C3C3C3C3C3C3CC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s9;s7;s2s7s9;s10;s10;s11;s11;s3s5s8;s16;s16;s4s6s15;s18;s19;s3;s1s21s22;s23;s23;s4;s9;s10;s11;s7;s13;s13;s13;s14;s14;s14;s8;s15;s15;s18;s19;s21;s22;s23;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-6.1374,-1.0711,-.9901;.8391,-1.1253,-1.2546;4.7353,.8789,-2.3224;-2.3702,-1.3403,4.0446;4.4304,1.7148,-.2471;-.953,.2615,3.4146;.3536,-.5393,.8686;2.7119,.8346,-1.4508;1.6938,.9787,-.4436;.726,2.1522,-.7166;-.5243,-1.6595,1.1178;.9281,-.3333,-.3231;-.088,1.9677,-1.9915;1.4849,3.4733,-.7425;-.6052,-1.9736,2.6184;-1.9128,-1.4745,.5401;3.9932,1.1903,-1.2576;-2.4614,-.2194,.3048;-2.6901,-2.6016,.2907;-1.3111,-.8958,3.3935;-3.7605,-.0879,-.1682;-3.988,-2.4887,-.1793;6.1381,1.2218,-2.3158;-4.5138,-1.2253,-.4028;6.3227,2.6725,-2.7125;6.809,.268,-3.2795;-3.1158,-.3983,4.8212;2.1894,1.1774,.5085;.0339,2.1811,.1316;-.0784,-2.5407,.6533;.413,.1872,1.5682;-.7375,1.0922,-1.9552;.5529,1.8767,-2.8711;-.7304,2.8346,-2.1511;2.0557,3.6313,.1736;.7872,4.3056,-.8436;2.1757,3.5257,-1.5861;2.4566,.397,-2.3236;-1.1096,-2.9301,2.7424;.4048,-2.0822,3.0212;-1.8829,.679,.4805;-2.2776,-3.5887,.4636;-4.1733,.8955,-.3482;-4.5772,-3.3751,-.371;6.5399,1.0566,-1.314;5.9397,2.857,-3.7174;7.3843,2.9208,-2.7087;5.8251,3.3535,-2.0222;7.8815,.4603,-3.2918;6.6626,-.7704,-2.9811;6.4352,.3941,-4.2969;-3.9363,-.9581,5.259;-2.5071,.0299,5.6163;-3.5167,.3995,4.1976; 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" 371.6666999999997 AuxInfo=1/0/N:13,14,25,26,27,18,19,21,22,15,10,23,16,24,11,20,9,12,17,1,7,8,6,2,5,4,3/E:(1,2)(3,4)(6,7)(8,9)/CRV:6.3,7.3,8.3,9.3,13.3,14.3,16.3,18.3,19.3,23.1,24.1,25.1/rA:54nClO1OOO1O1NNCCCC3CCCC3C3C3C3C3C3C3CC3CCCHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s9;s7;s2s7s9;s10;s10;s11;s11;s3s5s8;s16;s16;s4s6s15;s18;s19;s3;s1s21s22;s23;s23;s4;s9;s10;s11;s7;s13;s13;s13;s14;s14;s14;s8;s15;s15;s18;s19;s21;s22;s23;s25;s25;s25;s26;s26;s26;s27;s27;s27;/rC:-6.1374,-1.0711,-.9901;.8391,-1.1253,-1.2546;4.7353,.8789,-2.3224;-2.3702,-1.3403,4.0446;4.4304,1.7148,-.2471;-.953,.2615,3.4146;.3536,-.5393,.8686;2.7119,.8346,-1.4508;1.6938,.9787,-.4436;.726,2.1522,-.7166;-.5243,-1.6595,1.1178;.9281,-.3333,-.3231;-.088,1.9677,-1.9915;1.4849,3.4733,-.7425;-.6052,-1.9736,2.6184;-1.9128,-1.4745,.5401;3.9932,1.1903,-1.2576;-2.4614,-.2194,.3048;-2.6901,-2.6016,.2907;-1.3111,-.8958,3.3935;-3.7605,-.0879,-.1682;-3.988,-2.4887,-.1793;6.1381,1.2218,-2.3158;-4.5138,-1.2253,-.4028;6.3227,2.6725,-2.7125;6.809,.268,-3.2795;-3.1158,-.3983,4.8212;2.1894,1.1774,.5085;.0339,2.1811,.1316;-.0784,-2.5407,.6533;.413,.1872,1.5682;-.7375,1.0922,-1.9552;.5529,1.8767,-2.8711;-.7304,2.8346,-2.1511;2.0557,3.6313,.1736;.7872,4.3056,-.8436;2.1757,3.5257,-1.5861;2.4566,.397,-2.3236;-1.1096,-2.9301,2.7424;.4048,-2.0822,3.0212;-1.8829,.679,.4805;-2.2776,-3.5887,.4636;-4.1733,.8954,-.3482;-4.5772,-3.3751,-.371;6.5399,1.0566,-1.314;5.9397,2.857,-3.7174;7.3843,2.9208,-2.7087;5.8251,3.3535,-2.0222;7.8815,.4603,-3.2918;6.6626,-.7704,-2.9811;6.4352,.3941,-4.2969;-3.9363,-.9581,5.259;-2.5071,.0299,5.6163;-3.5167,.3995,4.1976; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 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 3180 GEPOL Volume 2774.7223 GEPOL Surface-area 1604.4596 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 1.0s -1686.35920582 2710.78731040 -4397.14651621 -7697.51475436 3300.36823815 -0.05410334 -3366.67691339 1680.31770758 2.00359545 105.999972095877 105.999972095877 211.999944191754 -138.344849639142 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.2729 -524.9439 -524.4426 -523.3075 -522.7966 -522.7222 -393.2481 -393.1072 -283.8498 -283.5453 -282.7048 -281.4692 -281.2164 -281.2138 -280.9254 -280.8806 -280.1751 -280.0993 -280.0213 -280.0184 -279.9411 -279.9346 -279.8225 -279.1633 -279.1415 -279.0708 -279.0586 -260.5462 -199.3780 -199.1479 -199.1397 -33.8352 -33.5870 -31.9586 -31.2670 -30.9431 -28.8565 -28.7368 -27.6653 -26.2870 -25.4124 -24.9555 -24.5750 -23.8535 -23.6320 -22.8652 -22.5028 -21.8548 -21.6403 -21.0096 -20.2151 -19.9654 -19.3436 -18.9149 -18.8533 -18.5267 -18.3610 -17.9554 -17.4722 -17.1368 -16.6650 -16.4560 -16.2813 -16.2034 -16.0320 -15.9188 -15.5457 -15.4565 -15.2736 -14.9808 -14.9106 -14.7946 -14.5899 -14.3505 -14.2688 -14.1317 -14.0642 -13.8591 -13.7418 -13.4138 -13.3802 -13.1755 -13.1048 -13.0459 -13.0084 -12.7775 -12.7307 -12.4929 -12.2815 -12.2492 -12.1633 -11.9375 -11.7386 -11.6597 -11.6006 -11.5072 -11.2927 -11.2022 -10.9047 -10.6962 -10.6672 -10.2385 -9.9026 -9.6190 -9.5427 -8.9666 1.3708 1.4274 2.1224 2.4971 2.9495 3.1813 3.4797 3.5609 3.7325 3.8480 3.9577 4.2787 4.4526 4.5390 4.5814 4.7383 4.8317 4.9009 4.9957 5.1340 5.1402 5.2503 5.3967 5.4908 5.5404 5.6051 5.6123 5.8126 5.8978 5.9771 6.0230 6.1666 6.2371 6.3438 6.4941 6.5890 6.6593 6.6747 6.7763 6.9118 6.9906 7.1289 7.3179 7.3878 7.5329 7.5757 7.6906 7.8142 7.8629 7.9768 8.1894 8.2092 8.3278 8.4764 8.5452 8.7360 8.8024 8.8389 8.9449 9.0024 9.1155 9.1638 9.2598 9.3125 9.4346 9.6418 9.7928 9.9288 10.0213 10.1859 10.2507 10.4143 10.5350 10.5931 10.7339 10.7935 10.9618 11.0106 11.1147 11.1517 11.2773 11.3567 11.4648 11.5154 11.6323 11.7308 11.8782 11.9823 12.1014 12.1772 12.2626 12.3692 12.4264 12.5681 12.6161 12.8098 12.8728 12.9511 13.0935 13.1842 13.2745 13.3326 13.4335 13.5252 13.6411 13.7058 13.8627 13.9601 13.9871 14.0195 14.1531 14.2376 14.3208 14.3861 14.4452 14.5081 14.6067 14.6836 14.7663 14.7780 14.8186 14.9009 14.9772 15.0517 15.0710 15.0904 15.1597 15.2934 15.3009 15.3589 15.5104 15.5604 15.7103 15.7523 15.9080 16.0209 16.1608 16.2882 16.3744 16.4675 16.4985 16.6078 16.6910 16.9445 17.1090 17.1945 17.2392 17.2642 17.3807 17.5775 17.6895 17.8154 18.0425 18.0842 18.1891 18.2433 18.3007 18.4095 18.7429 18.7969 18.9055 19.0639 19.1827 19.3082 19.3150 19.4316 19.6701 19.7742 20.0302 20.0960 20.3005 20.5140 20.5765 20.6693 20.8505 21.0104 21.1350 21.2149 21.3956 21.5658 21.6881 21.9043 22.0953 22.2970 22.3720 22.4913 22.5893 22.8236 22.9149 23.1610 23.1880 23.3108 23.4230 23.7011 23.7867 23.9036 24.0717 24.1530 24.2549 24.4754 24.6109 24.7182 24.7835 24.9949 25.0445 25.2135 25.4078 25.5906 25.8700 25.9323 26.0446 26.1442 26.1988 26.4435 26.4870 26.5245 26.6414 26.9033 27.0063 27.0899 27.2962 27.5438 27.6686 27.7420 27.9032 28.0047 28.1384 28.3133 28.3804 28.4837 28.5715 28.5889 28.6993 28.7772 28.9455 29.1948 29.2095 29.2755 29.4630 29.5452 29.6850 29.7675 29.8719 29.9876 30.0793 30.2082 30.3833 30.4468 30.7332 30.7588 30.9224 30.9357 31.0633 31.3111 31.4751 31.4894 31.7471 31.7810 31.8991 31.9977 32.1476 32.2037 32.3791 32.5429 32.6749 32.7059 33.0086 33.1510 33.2971 33.4607 33.5706 33.6753 33.7633 33.8442 34.0762 34.2786 34.3767 34.6706 34.7838 34.9486 35.0725 35.1767 35.1943 35.3798 35.5636 35.6495 35.9970 36.1331 36.2727 36.4320 36.4620 36.7711 36.9051 37.0268 37.1537 37.2411 37.4067 37.5406 37.6978 37.7479 37.8371 37.9886 38.1028 38.1544 38.3983 38.5578 38.7521 38.7747 38.9704 39.0369 39.2051 39.3256 39.4245 39.4665 39.6091 39.6422 39.7269 39.8951 40.0726 40.1061 40.3923 40.4248 40.5419 40.6842 40.8934 40.9883 41.1490 41.3172 41.4289 41.5831 41.6800 41.8204 41.9789 42.0509 42.0980 42.3548 42.4065 42.4607 42.6465 42.6684 42.6993 42.8191 42.9277 43.1204 43.2368 43.3498 43.3885 43.6452 43.6787 43.8812 43.9770 44.1307 44.2709 44.3447 44.4832 44.5843 44.6313 44.7913 44.9326 45.1274 45.3796 45.4153 45.5525 45.6372 45.6781 45.9059 45.9149 46.0971 46.2277 46.3331 46.5172 46.7355 46.7943 46.9993 47.1036 47.2313 47.5455 47.6189 47.7722 47.9035 47.9518 48.0381 48.3545 48.4363 48.5714 48.7645 49.0185 49.1593 49.3028 49.5285 49.8050 50.1134 50.1497 50.3478 50.5640 50.6532 50.9085 51.0370 51.3519 51.5746 51.6159 51.9766 52.0078 52.1342 52.3845 52.6789 52.6922 52.8401 53.2278 53.4111 53.4655 53.7945 53.9062 54.2259 54.5882 54.6439 54.7333 54.9733 55.2663 55.3672 55.8940 56.1903 56.5419 56.6918 56.8516 56.9618 57.0227 57.2236 57.2895 57.6085 57.7790 57.9240 58.0462 58.3647 58.6224 58.8083 58.9387 59.0220 59.0903 59.3953 59.5769 59.6960 59.9321 60.0509 60.1916 60.3011 60.5216 60.6114 60.7487 61.2601 61.3653 61.5009 61.9433 62.1543 62.3231 62.6616 62.7600 62.9071 62.9936 63.4354 63.4445 63.6557 63.9740 64.1741 64.2731 64.3564 64.6710 64.7539 64.8597 65.0479 65.4216 65.6926 65.8454 66.0959 66.1395 66.4620 66.7623 66.9157 67.0290 67.1066 67.1572 67.5419 67.8745 68.1376 68.5234 68.7385 69.1758 69.2070 69.3696 69.5972 69.8153 70.1946 70.5610 70.6657 71.0011 71.1270 71.2253 71.6063 71.7386 71.9792 72.0089 72.2434 72.3687 72.4552 72.5421 73.0030 73.1080 73.2000 73.3791 73.7474 74.0576 74.1559 74.5367 74.9199 74.9462 75.2245 75.4009 75.6388 75.6811 76.0154 76.1531 76.3032 76.5023 76.8704 77.0582 77.2574 77.4888 77.5783 77.7570 77.8352 78.0847 78.1622 78.3432 78.4627 78.7612 78.7824 79.0286 79.0823 79.2590 79.4163 79.5256 79.5926 79.6359 79.7389 79.9283 79.9542 80.0618 80.0828 80.2803 80.3332 80.5417 80.6305 80.8838 81.0493 81.1824 81.4094 81.5199 81.6043 81.8793 82.0134 82.0472 82.0876 82.3002 82.3602 82.5421 82.6901 82.7254 82.8964 82.9308 83.1438 83.2540 83.3973 83.5627 83.6049 83.8560 83.9784 84.1239 84.2864 84.4776 84.5291 84.5838 84.6408 84.8691 85.0459 85.2121 85.2337 85.4407 85.4509 85.6311 85.7339 85.9189 86.0743 86.1845 86.3180 86.3388 86.3688 86.7356 86.7847 86.9637 87.0743 87.1404 87.3105 87.4695 87.5995 87.6143 87.8443 87.9607 88.1076 88.2934 88.4940 88.6886 88.7782 88.7913 89.0512 89.0893 89.2273 89.3696 89.4386 89.6900 89.8032 90.0157 90.1676 90.2116 90.4429 90.4952 90.5990 90.8556 90.9486 91.0208 91.0953 91.2294 91.3203 91.4051 91.5497 91.6793 91.7659 91.9069 91.9596 92.0565 92.1531 92.2324 92.2785 92.7131 92.7327 92.7848 92.9094 93.1093 93.2354 93.2806 93.4365 93.4841 93.6233 93.7925 93.9610 94.0805 94.2505 94.3016 94.4162 94.5365 94.6017 94.9102 94.9333 95.1330 95.3794 95.4415 95.7475 95.8379 96.0579 96.1775 96.3350 96.3715 96.5789 96.8052 96.8448 97.0046 97.2411 97.3124 97.3597 97.4165 97.6198 97.6592 97.7382 98.0378 98.1837 98.2130 98.2484 98.3368 98.5069 98.6681 98.7598 98.7942 98.9726 99.1405 99.2001 99.4431 99.5092 99.5548 99.8987 99.9911 100.1791 100.2658 100.3851 100.6544 100.7658 100.8116 100.8564 101.0209 101.1375 101.3726 101.5793 101.6675 101.9565 102.0414 102.1490 102.5040 102.7766 102.8385 102.9327 103.1551 103.2072 103.3237 103.5807 103.8921 104.0187 104.0678 104.3894 104.5275 104.8509 104.9837 105.0811 105.1301 105.3937 105.4773 105.8132 106.0206 106.0588 106.0823 106.1785 106.3345 106.5891 106.7179 106.8483 106.9054 107.0590 107.1311 107.2358 107.3652 107.4847 107.6223 107.9338 108.0179 108.1139 108.4077 108.4747 108.5673 108.7813 108.9943 109.1199 109.2496 109.4528 109.5256 109.7231 109.8700 110.0848 110.2180 110.3293 110.5489 110.6887 110.8190 110.9659 111.0862 111.1204 111.3049 111.4729 111.5575 111.7022 111.8746 111.9941 112.2150 112.3676 112.5347 112.7915 112.9913 113.1349 113.2194 113.5825 113.6065 113.7552 113.9238 114.0915 114.1889 114.2302 114.3820 114.6386 114.6539 114.7701 114.9419 114.9975 115.3592 115.4310 115.5384 115.5577 115.6981 116.0040 116.1820 116.3175 116.4819 116.5579 116.6777 116.8548 117.0165 117.1001 117.2104 117.3973 117.4453 117.6491 117.7003 117.8728 118.0154 118.2062 118.2247 118.4605 118.5602 118.6847 118.7291 118.8278 119.1811 119.2685 119.4096 119.6765 119.7843 120.0494 120.1945 120.3556 120.4216 120.7897 120.8010 120.9130 121.1915 121.2428 121.3972 121.5277 121.8281 121.8956 122.1823 122.2454 122.3815 122.7554 122.9940 123.0480 123.1897 123.2899 123.6300 123.9432 124.0971 124.3702 124.7530 124.8598 124.9834 125.3442 125.7593 125.9485 126.0883 126.2509 126.3628 126.6411 126.8317 126.9070 127.1411 127.2149 127.3860 127.6878 127.9176 128.0006 128.1873 128.2466 128.6367 128.6820 129.1172 129.3044 129.5124 129.7338 129.8012 129.9634 130.3119 130.6790 130.8499 130.9790 131.3978 131.5454 131.8028 131.8608 132.0344 132.3038 132.3408 132.5846 132.6986 132.8829 132.9479 133.3801 133.6708 133.7528 134.0806 134.2062 134.4128 134.5904 134.7961 135.0449 135.4667 135.6733 135.7204 136.0106 136.2816 136.3730 136.6591 136.8705 137.2379 137.4075 137.6471 137.8897 137.9351 138.3794 138.5704 138.7857 139.0796 139.2067 139.4917 139.6638 140.4666 140.5375 140.6864 141.0856 141.1606 141.5569 141.6783 141.9513 142.1789 142.4438 142.5228 142.5977 142.9077 143.1330 143.3544 143.5132 143.8233 143.9479 144.0385 144.2548 144.4003 144.4860 144.6752 144.8572 144.9661 145.2203 145.4324 145.5194 145.6490 145.9383 146.0623 146.5424 146.7754 147.0968 147.4705 147.6107 147.7225 147.7510 148.0047 148.2540 148.4935 148.6070 148.6770 149.0104 149.1209 149.1843 149.4306 149.6745 149.9176 150.0236 150.1514 150.1968 150.3649 150.7118 151.0290 151.4291 151.7219 152.0657 152.2433 152.3413 152.6211 152.6510 152.8516 153.0595 153.1069 153.4241 153.7228 153.8407 153.9487 154.0530 154.2261 154.3796 154.6579 154.8290 154.9841 155.1874 155.5338 155.5999 155.8683 156.0372 156.6314 156.6834 156.8497 157.1363 157.2936 157.3417 157.6210 157.6620 157.8595 157.9459 158.1292 158.3008 158.8363 158.9740 159.1782 159.6530 160.0638 160.1645 160.8009 161.0002 161.1028 161.7663 162.2733 162.3411 162.4144 163.0278 164.6973 165.1735 166.8187 167.5366 168.1069 168.8314 169.0445 169.9223 171.3287 171.7025 172.2866 172.4418 172.9109 173.2677 173.5850 175.1950 177.1240 177.3540 177.7582 178.3510 178.4309 178.7148 178.8158 179.0001 180.7078 181.4559 182.0856 183.1756 184.9020 185.5056 185.8313 186.1275 186.9983 188.4092 188.5298 189.6338 189.6654 190.9498 192.2532 193.6641 194.5194 194.8037 195.9198 196.1914 198.3012 199.5651 199.7315 203.4065 206.1893 206.4226 207.6967 221.6628 223.0210 223.5150 227.4468 229.6079 294.9599 297.5296 312.6063 616.9609 626.7789 631.3796 633.7363 634.2928 635.1293 636.9751 637.3116 638.1054 639.0184 641.5314 645.0322 645.5751 645.8956 646.2675 647.1658 648.6898 649.3107 655.7855 712.3122 904.4425 905.7130 1198.5711 1199.2041 1202.4510 1208.1346 1212.2360 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 Cl 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 H H H H H H H H H H H H H H H H H H H H H H H H H H H -0.100624 -0.552182 -0.345311 -0.276099 -0.569528 -0.489077 -0.218226 -0.247847 0.112184 0.076712 0.179526 0.293150 -0.312419 -0.325102 -0.129602 0.060542 0.528834 -0.236545 -0.222977 0.431427 -0.169887 -0.150309 0.159633 0.111415 -0.262696 -0.256594 -0.125391 0.117397 0.052556 0.105188 0.189130 0.090443 0.092961 0.099477 0.099157 0.103336 0.088717 0.172306 0.104672 0.124956 0.170160 0.145465 0.143907 0.144700 0.065291 0.089254 0.098214 0.091926 0.091960 0.097164 0.089383 0.130705 0.120681 0.117888 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 Cl 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 H H H H H H H H H H H H H H H H H H H H H H H H H H H 17.1006 8.5522 8.3453 8.2761 8.5695 8.4891 7.2182 7.2478 5.8878 5.9233 5.8205 5.7068 6.3124 6.3251 6.1296 5.9395 5.4712 6.2365 6.2230 5.5686 6.1699 6.1503 5.8404 5.8886 6.2627 6.2566 6.1254 0.8826 0.9474 0.8948 0.8109 0.9096 0.9070 0.9005 0.9008 0.8967 0.9113 0.8277 0.8953 0.8750 0.8298 0.8545 0.8561 0.8553 0.9347 0.9107 0.9018 0.9081 0.9080 0.9028 0.9106 0.8693 0.8793 0.8821 17.0000 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.1006 -0.5522 -0.3453 -0.2761 -0.5695 -0.4891 -0.2182 -0.2478 0.1122 0.0767 0.1795 0.2932 -0.3124 -0.3251 -0.1296 0.0605 0.5288 -0.2365 -0.2230 0.4314 -0.1699 -0.1503 0.1596 0.1114 -0.2627 -0.2566 -0.1254 0.1174 0.0526 0.1052 0.1891 0.0904 0.0930 0.0995 0.0992 0.1033 0.0887 0.1723 0.1047 0.1250 0.1702 0.1455 0.1439 0.1447 0.0653 0.0893 0.0982 0.0919 0.0920 0.0972 0.0894 0.1307 0.1207 0.1179 1.2039 1.9427 2.0825 2.1359 1.9243 1.9956 3.2397 3.2108 3.7713 3.7744 3.7927 4.2623 3.9443 3.9458 3.9084 3.4604 4.2954 3.9545 4.0428 4.0793 4.0509 3.9830 3.8272 3.8090 3.9025 3.9382 3.8578 1.0412 1.0308 1.0223 1.0218 1.0097 1.0064 1.0037 1.0062 1.0052 1.0037 1.0370 1.0252 1.0145 0.9873 1.0022 1.0071 1.0049 1.0233 1.0072 1.0064 1.0188 1.0051 1.0077 1.0064 0.9944 0.9930 0.9930 1.2039 1.9427 2.0825 2.1359 1.9243 1.9956 3.2397 3.2108 3.7713 3.7744 3.7927 4.2623 3.9443 3.9458 3.9084 3.4604 4.2954 3.9545 4.0428 4.0793 4.0509 3.9830 3.8272 3.8090 3.9025 3.9382 3.8578 1.0412 1.0308 1.0223 1.0218 1.0097 1.0064 1.0037 1.0062 1.0052 1.0037 1.0370 1.0252 1.0145 0.9873 1.0022 1.0071 1.0049 1.0233 1.0072 1.0064 1.0188 1.0051 1.0077 1.0064 0.9944 0.9930 0.9930 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.9909 1.8254 1.1880 0.8452 1.2260 0.8650 1.7475 1.8243 0.9107 1.3333 0.9432 0.8696 1.2927 0.9523 0.9064 0.9675 1.0000 0.9235 0.9214 1.0109 0.9025 0.8807 1.0132 0.9866 0.9858 0.9954 0.9981 0.9951 0.9890 0.9521 1.0035 0.9816 1.2389 1.3754 1.4784 0.9887 1.4759 0.9902 1.3881 0.9816 1.3596 0.9826 0.9584 0.9592 1.0086 0.9841 0.9870 0.9875 0.9860 0.9935 0.9874 0.9788 0.9804 0.9781 0 23 1 11 2 16 2 22 3 19 3 26 4 16 5 19 6 10 6 11 6 30 7 8 7 16 7 37 8 9 8 11 8 27 9 12 9 13 9 28 10 14 10 15 10 29 12 31 12 32 12 33 13 34 13 35 13 36 14 19 14 38 14 39 15 17 15 18 17 20 17 40 18 21 18 41 20 23 20 42 21 23 21 43 22 24 22 25 22 44 24 45 24 46 24 47 25 48 25 49 25 50 26 51 26 52 26 53 -0.029412002 -1686.388617819058 38.43689 -39.00673 -0.56984 18.50061 -18.96847 -0.46786 -5.46044 6.87761 1.41716 1.59749 4.06049