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:3.4684,-3.1866,-.8405;-5.7746,2.1681,-.3102;-6.7152,.2458,-.3145;-5.9937,1.0987,1.5339;3.9178,-.4599,.0733;3.4383,2.1137,-.211;-2.6469,-2.6196,.896;-1.2498,.9652,-1.5095;4.8212,2.6445,1.4675;2.5725,.1587,1.7475;-1.934,-.8296,-.2884;-4.1361,-.9298,.5616;4.9544,.4437,.4894;-.6351,-1.4151,-.3999;-4.3751,.3095,.0165;-2.8885,-1.5391,.4258;5.9289,.4794,-.6846;5.6445,-.0468,1.752;1.7254,-1.2958,.0894;.429,-.8125,.2375;-2.1285,.4173,-.8926;-3.4499,.9727,-.6899;4.3878,1.8557,.6778;-.4284,-2.5481,-1.1675;2.7822,-.4764,.7487;1.9217,-2.4477,-.6695;-5.1456,-1.6831,1.3072;.8447,-3.074,-1.2815;-5.7295,.9586,.234;2.7575,3.3681,-.1089;1.6209,3.3358,-1.0725;1.3993,4.2792,-1.976;6.7442,1.1697,-.4712;6.3568,-.5099,-.8467;5.4376,.7962,-1.6037;6.5031,.5836,1.9754;4.9874,-.0312,2.6178;6.0042,-1.0644,1.5989;.2701,.0651,.849;-3.6389,1.9434,-1.117;-1.254,-3.0307,-1.6719;-6.0272,-1.8625,.6984;-4.7168,-2.6406,1.5746;-5.4256,-1.1695,2.2227;1.0084,-3.9742,-1.8563;3.4412,4.1927,-.325;2.3962,3.497,.9157;.9348,2.499,-.9915;.5403,4.2368,-2.631;2.0613,5.1284,-2.0956; 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 3550.0842935668 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 6.417e-06 Time for diagonalization 0.544 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.275 sec Total time needed 0.826 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:3.4684,-3.1866,-.8405;-5.7746,2.1681,-.3102;-6.7152,.2458,-.3145;-5.9937,1.0987,1.5339;3.9178,-.4599,.0733;3.4383,2.1137,-.211;-2.6469,-2.6196,.896;-1.2498,.9652,-1.5095;4.8212,2.6445,1.4675;2.5725,.1587,1.7475;-1.934,-.8296,-.2884;-4.1361,-.9298,.5616;4.9544,.4437,.4894;-.6351,-1.4151,-.3999;-4.3751,.3095,.0165;-2.8885,-1.5391,.4258;5.9289,.4794,-.6846;5.6445,-.0468,1.752;1.7254,-1.2958,.0894;.429,-.8125,.2375;-2.1285,.4173,-.8926;-3.4499,.9727,-.6899;4.3878,1.8557,.6778;-.4284,-2.5481,-1.1675;2.7822,-.4764,.7487;1.9217,-2.4477,-.6695;-5.1456,-1.6831,1.3072;.8447,-3.074,-1.2815;-5.7295,.9586,.234;2.7575,3.3681,-.1089;1.6209,3.3358,-1.0725;1.3993,4.2792,-1.976;6.7442,1.1697,-.4712;6.3568,-.5099,-.8467;5.4376,.7962,-1.6037;6.5031,.5836,1.9754;4.9874,-.0312,2.6178;6.0042,-1.0644,1.5989;.2701,.0651,.849;-3.6389,1.9434,-1.117;-1.254,-3.0307,-1.6719;-6.0272,-1.8625,.6984;-4.7168,-2.6406,1.5746;-5.4256,-1.1695,2.2227;1.0084,-3.9742,-1.8563;3.4412,4.1927,-.325;2.3962,3.497,.9157;.9348,2.499,-.9915;.5403,4.2368,-2.631;2.0613,5.1284,-2.0956; 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 4 456.67200959999974 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:3.4684,-3.1866,-.8405;-5.7746,2.1681,-.3102;-6.7152,.2458,-.3145;-5.9937,1.0987,1.5339;3.9178,-.4599,.0733;3.4383,2.1137,-.211;-2.6469,-2.6196,.896;-1.2498,.9652,-1.5095;4.8212,2.6445,1.4675;2.5725,.1587,1.7475;-1.934,-.8296,-.2884;-4.1361,-.9298,.5616;4.9544,.4437,.4894;-.6351,-1.4151,-.3999;-4.3751,.3095,.0165;-2.8885,-1.5391,.4258;5.9289,.4794,-.6846;5.6445,-.0468,1.752;1.7254,-1.2958,.0894;.429,-.8125,.2375;-2.1285,.4173,-.8926;-3.4499,.9727,-.6899;4.3878,1.8557,.6778;-.4284,-2.5481,-1.1675;2.7822,-.4764,.7487;1.9217,-2.4477,-.6695;-5.1456,-1.6831,1.3072;.8447,-3.074,-1.2815;-5.7295,.9586,.234;2.7575,3.3681,-.1089;1.6209,3.3358,-1.0725;1.3993,4.2792,-1.976;6.7442,1.1697,-.4712;6.3568,-.5099,-.8467;5.4376,.7962,-1.6037;6.5031,.5836,1.9754;4.9874,-.0312,2.6178;6.0042,-1.0644,1.5989;.2701,.0651,.849;-3.6389,1.9434,-1.117;-1.254,-3.0307,-1.6719;-6.0272,-1.8625,.6984;-4.7168,-2.6406,1.5746;-5.4256,-1.1695,2.2227;1.0084,-3.9742,-1.8563;3.4412,4.1927,-.325;2.3962,3.497,.9157;.9348,2.499,-.9915;.5403,4.2368,-2.631;2.0613,5.1284,-2.0956; -2093.78530215 3550.08429357 -5643.86959572 -9937.12217159 4293.25257587 -4180.67313790 2086.88783575 2.00330514 122.000041129511 122.000041129511 244.000082259021 -168.847707694788 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 -2765.4188 -676.2778 -676.2769 -676.2724 -524.8327 -524.6152 -523.3165 -523.2478 -523.1328 -522.9161 -395.1653 -394.7692 -287.6797 -284.3868 -283.5724 -283.5093 -283.1705 -282.8969 -282.0707 -282.0678 -281.5162 -281.2635 -281.2603 -280.8327 -280.8249 -280.6032 -280.5565 -280.4708 -279.7545 -279.7080 -279.5407 -279.4245 -260.6931 -199.5344 -199.2934 -199.2766 -40.2044 -37.6275 -37.6160 -34.0730 -33.4892 -33.4126 -32.4841 -31.3149 -31.0450 -30.7648 -29.8236 -28.1040 -26.5786 -26.2886 -25.7432 -24.9226 -24.6477 -24.4655 -23.5373 -23.3194 -22.5932 -22.2280 -22.0581 -21.6464 -21.3170 -20.4159 -20.2815 -20.1926 -20.1656 -19.7399 -19.6924 -18.8633 -18.5167 -18.3780 -17.9591 -17.4443 -17.0689 -16.8887 -16.7555 -16.6565 -16.5884 -16.5147 -16.2829 -16.1132 -15.9440 -15.8805 -15.5952 -15.5663 -15.4243 -15.3850 -15.2713 -15.2161 -15.1298 -15.0607 -15.0077 -14.8821 -14.7107 -14.5851 -14.3032 -14.1905 -14.0002 -13.9405 -13.7948 -13.7348 -13.4070 -13.2919 -13.2656 -12.9539 -12.9311 -12.8380 -12.5996 -12.3733 -12.2543 -11.9770 -11.4111 -11.3241 -11.1868 -11.0230 -10.9201 -10.6073 -10.5449 -10.1943 -9.9409 -9.7450 -9.7094 -9.3701 -0.1430 0.3683 1.0424 1.8245 2.1984 2.4192 2.7143 3.0777 3.1455 3.3408 3.6467 3.8999 3.9945 4.1124 4.2000 4.3943 4.5272 4.6100 4.6587 4.8031 4.8602 4.9898 5.0648 5.2533 5.2746 5.3926 5.5081 5.6096 5.7366 5.8349 5.9212 6.0046 6.0711 6.2313 6.3054 6.3737 6.4125 6.5543 6.6921 6.7694 6.8423 6.8897 7.0191 7.0856 7.1983 7.4321 7.5551 7.7039 7.8161 7.9136 7.9804 8.0553 8.1447 8.1971 8.3207 8.4682 8.6234 8.6985 8.7418 8.8065 8.9293 9.0006 9.1226 9.2310 9.3929 9.5353 9.5923 9.6256 9.8105 9.9565 10.0163 10.1040 10.1629 10.2740 10.3573 10.4199 10.7466 10.7541 10.8394 10.8636 10.9299 11.0099 11.1156 11.1431 11.2820 11.3943 11.5613 11.6725 11.8518 11.8872 12.0350 12.1207 12.2218 12.2835 12.3728 12.4948 12.5828 12.6293 12.7494 12.8676 12.9279 13.1186 13.1966 13.2794 13.2832 13.4148 13.4998 13.5588 13.6349 13.7588 13.8406 13.9745 13.9925 14.0766 14.1998 14.2653 14.3246 14.3808 14.4576 14.6092 14.6294 14.6745 14.7704 14.8223 14.9211 15.1077 15.2084 15.2722 15.4285 15.4885 15.5677 15.6673 15.8078 15.9729 16.0632 16.2943 16.3603 16.4446 16.5079 16.7005 16.8785 16.9391 17.1124 17.2313 17.2916 17.3777 17.5427 17.5792 17.6179 17.8128 17.8966 18.0296 18.1392 18.1944 18.2761 18.4572 18.5531 18.6722 18.8359 18.8522 19.0334 19.1374 19.3027 19.3883 19.4613 19.5995 19.9111 20.0090 20.1022 20.2272 20.3837 20.4453 20.5198 20.5881 20.7548 20.8776 21.0444 21.1063 21.2942 21.3543 21.4645 21.6126 21.6652 21.7729 21.9656 22.1787 22.2129 22.3852 22.4121 22.5341 22.6432 22.6792 22.8842 22.9714 23.0997 23.3680 23.4646 23.7302 23.7625 23.8779 24.0431 24.1492 24.2452 24.2937 24.3825 24.5151 24.7011 24.7619 24.9449 24.9692 25.2838 25.3634 25.4070 25.5433 25.7212 25.8099 25.9489 26.1955 26.3441 26.4551 26.6442 26.7979 26.8094 26.9490 26.9776 27.1134 27.2634 27.3308 27.4166 27.5710 27.6785 27.7554 27.9383 28.0894 28.1613 28.1917 28.3403 28.4309 28.5370 28.6402 28.8488 28.8795 28.9092 29.2422 29.3142 29.4188 29.5120 29.6365 29.6601 29.8785 30.1139 30.1569 30.3016 30.4937 30.5696 30.7519 30.7860 30.8382 30.9867 31.2439 31.3973 31.4919 31.7063 31.7971 31.9561 32.0989 32.2325 32.3543 32.4778 32.7120 32.8429 32.9108 32.9552 33.0008 33.1871 33.3658 33.6262 33.7580 33.8624 34.0146 34.1469 34.3414 34.3762 34.7088 34.7790 34.8179 34.9333 35.1232 35.2262 35.3745 35.5233 35.8062 35.8852 36.0888 36.2832 36.3233 36.4318 36.6013 36.7463 36.8004 37.0424 37.2339 37.3085 37.4486 37.5299 37.6129 37.7645 37.8362 37.9258 38.0011 38.3357 38.4650 38.7321 38.9562 38.9934 39.1765 39.3387 39.5311 39.6483 39.7273 39.9720 40.2908 40.4670 40.5172 40.5422 40.9003 41.0647 41.1918 41.3578 41.4615 41.6022 41.7288 41.8623 41.8777 41.9356 42.1416 42.2620 42.2955 42.5326 42.6380 42.7742 42.8714 43.1052 43.1456 43.2798 43.4920 43.5426 43.7171 43.8406 44.0101 44.1079 44.2610 44.3553 44.4696 44.4994 44.5414 44.6996 44.8955 45.1381 45.2453 45.3871 45.5033 45.6468 45.7413 45.8636 45.9135 46.0940 46.4324 46.5391 46.5611 46.7300 46.9269 47.1676 47.2561 47.3420 47.4284 47.5960 47.8498 47.8972 48.2108 48.3370 48.6353 48.8576 49.0725 49.0913 49.2284 49.4420 49.6930 49.7929 50.0512 50.1289 50.2585 50.3551 50.7190 50.8703 50.9088 51.1172 51.1866 51.2687 51.4525 51.5822 51.9036 52.0768 52.5792 52.7271 52.8383 52.8630 53.0639 53.1217 53.4344 53.5380 53.7160 54.2322 54.3161 54.4738 54.8953 54.9903 55.2366 55.4494 55.5138 55.7811 55.8745 56.2650 56.5611 56.6854 56.8267 56.8799 57.1023 57.3132 57.3864 57.7609 57.9187 58.0138 58.1711 58.4095 58.5797 58.7612 58.8853 58.9779 59.2181 59.3486 59.5143 59.6428 59.6886 59.7141 60.0763 60.3165 60.6356 60.8201 60.9715 61.0375 61.2827 61.4459 61.7664 61.8552 62.0573 62.2094 62.2323 62.5725 62.8647 62.9185 63.1743 63.2846 63.4203 63.5924 63.7186 63.8950 64.3171 64.5455 64.6730 64.9282 65.1203 65.1257 65.2604 65.4113 65.8124 65.8938 65.9397 66.1967 66.2519 66.3262 66.4889 66.8333 66.9579 67.0570 67.1122 67.3955 67.5474 67.7183 67.8347 68.1151 68.3254 68.6182 68.8041 68.8960 69.4912 69.7440 70.1977 70.2914 70.5033 70.6480 71.1589 71.2957 71.5524 71.7739 71.9512 72.1719 72.2923 72.3636 72.7521 73.0624 73.3383 73.5813 73.6127 73.8051 74.0160 74.1232 74.2135 74.5666 75.0528 75.1478 75.1929 75.5700 75.6596 75.9047 76.0661 76.1936 76.2960 76.4882 76.6261 76.9345 77.0961 77.2865 77.4645 77.6255 77.7031 77.9336 77.9914 78.1750 78.3285 78.4171 78.5558 78.7272 78.8570 78.9059 79.1909 79.2452 79.4635 79.4972 79.5963 79.6080 79.7177 79.7800 79.9219 80.0496 80.2017 80.2284 80.4506 80.5169 80.6485 80.6983 80.8180 80.9447 81.0718 81.2969 81.3489 81.4431 81.5580 81.7807 81.9212 82.0557 82.1028 82.2622 82.5316 82.7937 82.8385 82.9331 83.0941 83.2816 83.4367 83.5080 83.5525 83.7086 83.7981 83.9373 84.0701 84.1032 84.3021 84.3489 84.4337 84.6214 84.6410 84.9171 85.0765 85.3529 85.4476 85.5679 85.6705 85.9078 85.9967 86.0947 86.2230 86.3129 86.3990 86.5109 86.6442 86.7756 86.9206 87.0884 87.3022 87.3809 87.4486 87.6509 87.7642 87.9883 88.1467 88.1993 88.3146 88.3750 88.4603 88.5679 88.7901 88.9017 89.0448 89.2147 89.2988 89.3819 89.5593 89.7710 89.8282 89.9567 90.0782 90.1973 90.2699 90.4550 90.5210 90.6080 90.6685 90.8202 91.0352 91.1596 91.3987 91.4394 91.5404 91.6637 91.7168 91.8373 91.9305 92.1807 92.2555 92.5043 92.5802 92.6598 92.8798 92.9200 93.0880 93.1766 93.2317 93.4745 93.5121 93.5955 93.6735 93.8031 93.8994 94.0973 94.2316 94.3614 94.4087 94.6212 94.6699 94.7822 95.0509 95.1064 95.2802 95.3691 95.4563 95.5803 95.8402 96.0289 96.1816 96.3595 96.3712 96.5512 96.7312 96.7793 96.8821 97.0619 97.1971 97.3463 97.5892 97.7515 97.8426 97.9295 98.0287 98.1983 98.4077 98.4295 98.5923 98.7984 98.8497 99.0340 99.1676 99.3364 99.3933 99.5388 99.7488 99.9847 100.0899 100.3121 100.3736 100.4960 100.8330 100.8614 100.9881 101.2853 101.4277 101.5833 101.9073 101.9432 102.1337 102.3063 102.3798 102.5607 102.6650 102.9727 103.1449 103.2541 103.4424 103.5731 103.8153 103.8895 104.0353 104.1067 104.2564 104.5448 104.5697 104.8089 104.9841 105.0731 105.2033 105.3644 105.4076 105.6752 105.8468 105.8931 106.0658 106.1673 106.4616 106.5619 106.8599 106.8874 107.1177 107.3806 107.4116 107.7308 108.0105 108.1889 108.2400 108.3143 108.4393 108.5509 108.7765 108.8441 108.9976 109.4898 109.7498 109.8310 110.0295 110.1327 110.3573 110.4425 110.4623 110.6966 110.8496 110.9347 111.1031 111.4749 111.5294 111.6298 111.9878 112.0602 112.2439 112.4088 112.5924 112.7640 112.9571 113.0705 113.1565 113.2782 113.6977 113.7415 113.9788 114.0699 114.3101 114.3390 114.5196 114.6947 114.7493 114.7998 115.0259 115.1400 115.1772 115.5953 115.6746 115.6933 115.7971 115.9264 116.5090 116.5420 116.8893 117.0220 117.0996 117.2403 117.3186 117.4744 117.6576 117.8469 118.0099 118.1844 118.2431 118.3119 118.4038 118.6828 118.8523 119.0628 119.3077 119.4873 119.5556 119.7777 120.0626 120.3753 120.4139 120.5435 120.6752 120.8693 121.2484 121.6656 121.8197 121.9067 122.1107 122.4278 122.8103 122.9529 123.1029 123.3510 123.4758 123.7679 124.1056 124.3332 124.4401 124.8115 125.2987 125.5769 125.7832 126.0687 126.2044 126.3225 126.5969 126.9415 126.9889 127.1435 127.5110 127.6541 128.1558 128.3198 128.8492 129.2346 129.4172 129.6581 130.1196 130.2665 130.3133 130.6325 130.7199 131.1585 131.3571 131.4547 131.5319 131.9747 132.2201 132.4431 132.7404 132.7545 132.9860 133.3605 133.4979 133.5968 133.9558 134.1956 134.3836 134.4954 135.0839 135.4387 135.8563 136.2001 136.4012 136.5418 136.7192 136.8826 137.2224 137.4651 137.5604 137.9272 138.1890 138.4769 138.7392 139.4497 139.7862 140.0423 140.3530 140.7290 140.9970 141.1940 141.6378 141.8158 142.4259 142.6335 142.7133 142.8497 142.9573 143.0966 143.2356 143.7567 143.8532 143.9406 144.2140 144.4034 144.6019 144.7566 144.9927 145.1009 145.2546 145.4721 145.6276 145.7866 145.9136 146.0198 146.3787 146.8211 147.1433 147.3451 147.5778 147.7655 147.9066 148.1195 148.4381 148.7098 148.7616 148.7928 149.2050 149.3638 149.5963 149.7026 149.9168 150.0421 150.2262 150.3434 150.4150 150.6210 150.6756 150.9116 151.0443 151.1749 151.6091 151.6734 151.8902 152.1759 152.5505 153.0291 153.2864 153.4100 154.0855 154.1951 154.3224 154.5762 154.9134 155.0634 155.5940 156.2518 156.3535 156.4554 156.6816 156.8907 157.2097 157.4486 157.6122 157.8686 158.2727 158.4528 158.6745 158.8838 159.2752 160.4160 160.9208 161.5799 161.6230 162.0889 162.9144 163.5161 164.1783 165.1252 165.3094 166.0995 166.7477 167.2892 168.7792 168.8406 169.4279 170.3586 170.9895 172.0334 172.3702 172.6785 173.1150 174.3987 174.7524 175.7703 175.9720 176.9507 177.2001 177.8873 178.2504 178.5262 179.1812 179.4876 180.1598 180.4803 181.4639 183.0584 183.6553 185.6446 186.2200 186.6442 186.6762 187.4150 187.7425 187.7883 187.8364 187.9786 187.9992 188.1796 188.2426 188.3005 188.5941 188.6507 188.7007 188.8332 188.8570 189.6836 191.5190 191.5625 191.7790 192.6148 193.0205 193.9274 194.1317 194.1896 194.7384 195.2898 195.9181 196.0110 196.3651 196.8558 197.1322 198.2044 199.2189 199.7224 201.2628 202.2955 202.6857 204.5854 205.1736 205.7375 206.2962 207.2747 208.2113 208.6459 209.7350 222.3761 223.6578 224.3389 226.9098 227.8622 227.9626 228.4189 230.2320 231.9664 232.9955 234.9018 238.4366 240.3744 241.4019 243.9556 245.5296 246.5738 246.8534 249.7897 250.8411 295.2493 298.8651 313.1992 615.4647 622.5815 623.0391 624.9757 625.3655 627.2023 631.8925 634.2911 636.7807 637.1348 637.9252 642.6662 643.6015 643.7837 646.3601 646.8054 647.4585 650.1411 650.4984 653.6438 716.0811 902.3314 906.6371 1199.4903 1199.9133 1200.5821 1201.4818 1211.3098 1214.3141 1557.1813 1559.4004 1564.7309 -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 -0.048035 -0.151475 -0.157877 -0.157413 -0.271384 -0.261598 -0.371847 -0.361607 -0.342869 -0.365259 -0.122566 -0.122398 0.300354 0.187643 -0.026745 0.346029 -0.291129 -0.295595 0.063517 -0.172681 0.289093 -0.159420 0.286139 -0.138164 0.383518 0.028245 -0.221286 -0.113289 0.544697 0.058717 -0.151237 -0.217246 0.099658 0.098834 0.114798 0.102077 0.119673 0.099135 0.123662 0.135530 0.117381 0.129456 0.127751 0.130806 0.116189 0.093068 0.102647 0.128999 0.109054 0.084455 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 17.0480 9.1515 9.1579 9.1574 8.2714 8.2616 8.3718 8.3616 8.3429 8.3653 7.1226 7.1224 5.6996 5.8124 6.0267 5.6540 6.2911 6.2956 5.9365 6.1727 5.7109 6.1594 5.7139 6.1382 5.6165 5.9718 6.2213 6.1133 5.4553 5.9413 6.1512 6.2172 0.9003 0.9012 0.8852 0.8979 0.8803 0.9009 0.8763 0.8645 0.8826 0.8705 0.8722 0.8692 0.8838 0.9069 0.8974 0.8710 0.8909 0.9155 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 -0.0480 -0.1515 -0.1579 -0.1574 -0.2714 -0.2616 -0.3718 -0.3616 -0.3429 -0.3653 -0.1226 -0.1224 0.3004 0.1876 -0.0267 0.3460 -0.2911 -0.2956 0.0635 -0.1727 0.2891 -0.1594 0.2861 -0.1382 0.3835 0.0282 -0.2213 -0.1133 0.5447 0.0587 -0.1512 -0.2172 0.0997 0.0988 0.1148 0.1021 0.1197 0.0991 0.1237 0.1355 0.1174 0.1295 0.1278 0.1308 0.1162 0.0931 0.1026 0.1290 0.1091 0.0845 1.2678 1.1614 1.1504 1.1508 2.1647 2.1299 2.1444 2.1382 2.1761 2.1333 3.1311 3.2977 3.8602 3.6672 3.9876 4.2687 3.9236 3.9418 3.7265 4.1557 4.2474 3.8451 4.2373 4.1546 4.1675 4.0186 3.8412 4.0355 4.4040 3.8605 3.8837 3.9871 1.0080 1.0073 1.0156 1.0142 1.0172 1.0056 1.0346 1.0246 1.0134 0.9962 1.0290 0.9951 1.0185 1.0063 0.9995 1.0019 1.0086 1.0137 1.2678 1.1614 1.1504 1.1508 2.1647 2.1299 2.1444 2.1382 2.1761 2.1333 3.1311 3.2977 3.8602 3.6672 3.9876 4.2687 3.9236 3.9418 3.7265 4.1557 4.2474 3.8451 4.2373 4.1546 4.1675 4.0186 3.8412 4.0355 4.4040 3.8605 3.8837 3.9871 1.0080 1.0073 1.0156 1.0142 1.0172 1.0056 1.0346 1.0246 1.0134 0.9962 1.0290 0.9951 1.0185 1.0063 0.9995 1.0019 1.0086 1.0137 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.1113 1.1516 1.1268 1.1268 0.8878 1.1737 1.1787 0.8553 1.9859 1.9733 2.0383 1.9308 0.7618 1.1407 1.0918 1.1910 1.1207 0.8881 0.9286 0.9846 0.9437 1.4422 1.4401 1.6661 0.9958 0.9846 0.9874 0.9829 0.9714 0.9741 0.9962 1.4407 0.9475 1.3242 0.9460 1.1000 0.9714 1.4836 0.9513 1.4216 0.9770 0.9699 0.9770 0.9656 0.9706 0.9854 0.9762 1.9262 0.9650 0.9920 0.9992 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 -0.028300586 -2093.813602738299 36.58897 -38.12159 -1.53262 10.36069 -10.91435 -0.55366 -0.59824 -0.11461 -0.71285 1.77866 4.52099