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:3.4099,-3.6911,.6229;-6.1475,1.0722,.1573;-5.0655,2.5327,-1.0118;-5.9534,.8328,-1.9656;3.0947,.17,-1.1036;2.7782,1.964,.7469;-1.5281,.0625,1.7558;-2.0152,-1.9915,-2.257;4.9348,2.5656,.6948;4.0194,-.7276,.7311;-1.7373,-.9253,-.2693;-3.3066,.6681,.4776;4.0261,1.2626,-1.1259;-.4948,-1.5968,-.0581;-4.0353,.4443,-.6666;-2.1472,-.0595,.7304;3.4859,2.2176,-2.1879;5.4314,.806,-1.484;1.9102,-1.517,-.0211;.6835,-.9054,-.2517;-2.4286,-1.1946,-1.4556;-3.6532,-.434,-1.6034;3.999,1.9882,.2235;-.4691,-2.9238,.329;3.139,-.68,-.0798;1.93,-2.8536,.3712;-3.7117,1.5947,1.5353;.7446,-3.5559,.5289;-5.3141,1.2278,-.8726;2.6045,2.492,2.0657;1.2121,2.1647,2.4835;.3546,3.062,2.947;2.4682,2.5367,-1.9652;4.1185,3.102,-2.2492;3.4885,1.7329,-3.1641;5.4066,.2546,-2.4242;6.0775,1.6711,-1.6191;5.8734,.1748,-.7181;.6535,.132,-.5552;-4.2286,-.6044,-2.4983;-1.3913,-3.4697,.4731;-4.1158,2.5097,1.119;-4.4405,1.1404,2.2039;-2.8331,1.8535,2.113;.7743,-4.5972,.8161;2.7861,3.5693,2.0746;3.3319,2.0252,2.7362;.9188,1.1217,2.4231;-.631,2.7702,3.282;.6052,4.1131,3.024; 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 3605.1785081936 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 6.012e-06 Time for diagonalization 0.567 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.276 sec Total time needed 0.851 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:3.4099,-3.6911,.6229;-6.1475,1.0722,.1573;-5.0655,2.5327,-1.0118;-5.9534,.8328,-1.9656;3.0947,.17,-1.1036;2.7782,1.964,.7469;-1.5281,.0625,1.7558;-2.0152,-1.9915,-2.257;4.9348,2.5656,.6948;4.0194,-.7276,.7311;-1.7373,-.9253,-.2693;-3.3066,.6681,.4776;4.0261,1.2626,-1.1259;-.4948,-1.5968,-.0581;-4.0353,.4443,-.6666;-2.1472,-.0595,.7304;3.4859,2.2176,-2.1879;5.4314,.806,-1.484;1.9102,-1.517,-.0211;.6835,-.9054,-.2517;-2.4286,-1.1946,-1.4556;-3.6532,-.434,-1.6034;3.999,1.9882,.2235;-.4691,-2.9238,.329;3.139,-.68,-.0798;1.93,-2.8536,.3712;-3.7117,1.5947,1.5353;.7446,-3.5559,.5289;-5.3141,1.2278,-.8726;2.6045,2.492,2.0657;1.2121,2.1647,2.4835;.3546,3.062,2.947;2.4682,2.5367,-1.9652;4.1185,3.102,-2.2492;3.4885,1.7329,-3.1641;5.4066,.2546,-2.4242;6.0775,1.6711,-1.6191;5.8734,.1748,-.7181;.6535,.132,-.5552;-4.2286,-.6044,-2.4983;-1.3913,-3.4697,.4731;-4.1158,2.5097,1.119;-4.4405,1.1404,2.2039;-2.8331,1.8535,2.113;.7743,-4.5972,.8161;2.7861,3.5693,2.0746;3.3319,2.0252,2.7362;.9188,1.1217,2.4231;-.631,2.7702,3.282;.6052,4.1131,3.024; 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:3.4099,-3.6911,.6229;-6.1475,1.0722,.1573;-5.0655,2.5327,-1.0118;-5.9534,.8328,-1.9656;3.0947,.17,-1.1036;2.7782,1.964,.7469;-1.5281,.0625,1.7558;-2.0152,-1.9915,-2.257;4.9348,2.5656,.6948;4.0194,-.7276,.7311;-1.7373,-.9253,-.2693;-3.3066,.6681,.4776;4.0261,1.2626,-1.1259;-.4948,-1.5968,-.0581;-4.0353,.4443,-.6666;-2.1472,-.0595,.7304;3.4859,2.2176,-2.1879;5.4314,.806,-1.484;1.9102,-1.517,-.0211;.6835,-.9054,-.2517;-2.4286,-1.1946,-1.4556;-3.6532,-.434,-1.6034;3.999,1.9882,.2235;-.4691,-2.9238,.329;3.139,-.68,-.0798;1.93,-2.8536,.3712;-3.7117,1.5947,1.5353;.7446,-3.5559,.5289;-5.3141,1.2278,-.8726;2.6045,2.492,2.0657;1.2121,2.1647,2.4835;.3546,3.062,2.947;2.4682,2.5367,-1.9652;4.1185,3.102,-2.2492;3.4885,1.7329,-3.1641;5.4066,.2546,-2.4242;6.0775,1.6711,-1.6191;5.8734,.1748,-.7181;.6535,.132,-.5552;-4.2286,-.6044,-2.4983;-1.3913,-3.4697,.4731;-4.1158,2.5097,1.119;-4.4405,1.1404,2.2039;-2.8331,1.8535,2.113;.7743,-4.5972,.8161;2.7861,3.5693,2.0746;3.3319,2.0252,2.7362;.9188,1.1217,2.4231;-.631,2.7702,3.282;.6052,4.1131,3.024; -2093.78473489 3605.17850819 -5698.96324308 -10046.90701651 4347.94377343 -4180.70119024 2086.91645536 2.00329111 122.000027628256 122.000027628256 244.000055256511 -168.850798678738 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 -2765.3202 -676.3116 -676.3089 -676.3012 -524.8755 -524.7962 -523.3450 -523.1986 -523.1909 -523.0853 -395.1801 -394.7252 -287.6934 -284.3778 -283.5823 -283.4643 -283.3165 -282.8979 -282.1700 -282.0116 -281.5009 -281.4240 -281.3421 -280.8438 -280.8124 -280.5993 -280.5878 -280.4627 -279.9645 -279.8642 -279.7610 -279.4750 -260.5925 -199.4347 -199.1927 -199.1755 -40.2293 -37.6673 -37.6401 -34.1246 -33.5127 -33.5055 -32.4564 -31.3795 -31.2161 -30.7819 -29.8281 -28.0721 -26.5671 -26.3114 -25.8474 -25.1053 -24.6489 -24.4670 -23.5569 -23.3360 -22.7694 -22.3324 -22.0632 -21.6204 -21.3492 -20.6064 -20.3458 -20.1925 -20.1863 -19.8641 -19.6289 -18.7449 -18.5712 -18.5231 -18.0977 -17.5279 -17.1388 -16.8873 -16.8000 -16.7133 -16.6657 -16.5514 -16.3838 -16.1779 -15.9800 -15.9271 -15.6261 -15.5729 -15.5370 -15.4795 -15.3409 -15.2238 -15.1395 -15.0627 -14.9781 -14.9269 -14.8199 -14.5973 -14.2893 -14.2622 -14.1292 -13.9673 -13.9264 -13.7813 -13.4903 -13.4288 -13.2990 -13.0908 -12.9468 -12.7874 -12.7132 -12.4813 -12.2219 -12.1296 -11.6046 -11.3777 -11.2443 -11.1420 -10.8932 -10.5160 -10.4240 -10.3662 -10.0143 -9.8819 -9.7359 -9.3738 -0.0847 0.4009 1.0082 1.8076 1.9559 2.3078 2.6408 2.9833 3.1434 3.2720 3.5551 3.9013 3.9736 4.0127 4.1518 4.2976 4.3419 4.4773 4.5429 4.6191 4.8109 4.9762 5.0463 5.1241 5.2353 5.2947 5.4405 5.6244 5.7494 5.8231 5.9458 6.0079 6.1267 6.2349 6.2913 6.3188 6.3893 6.4974 6.6698 6.6805 6.7906 6.8795 6.9425 7.1390 7.2782 7.5145 7.6088 7.6576 7.8541 7.9272 7.9948 8.1514 8.2376 8.3677 8.4505 8.4621 8.5756 8.6506 8.7116 8.8388 8.9728 9.0563 9.0972 9.2503 9.3232 9.5603 9.6602 9.6903 9.7591 9.9185 9.9563 10.1333 10.2119 10.3211 10.4623 10.4836 10.5463 10.6677 10.8064 10.9196 11.0336 11.0719 11.1815 11.2241 11.3187 11.4177 11.6031 11.6705 11.8176 11.9157 12.0474 12.0782 12.2351 12.2551 12.3343 12.4246 12.6556 12.6859 12.7239 12.8671 12.9160 12.9938 13.1174 13.2050 13.2709 13.3043 13.4756 13.6500 13.6714 13.8050 13.8774 13.9139 14.0271 14.0796 14.1429 14.2291 14.3306 14.4782 14.5454 14.5902 14.7529 14.7982 14.8534 14.8691 14.9857 15.2250 15.2869 15.4170 15.4506 15.6118 15.7431 15.7713 15.8868 16.0514 16.0930 16.0978 16.2809 16.4520 16.6214 16.7302 16.7668 16.8246 16.9452 17.1859 17.4010 17.4472 17.5784 17.6831 17.7705 17.8472 17.9183 18.0543 18.1383 18.2628 18.3506 18.3740 18.4710 18.6856 18.7552 18.9045 18.9983 19.0359 19.2460 19.3793 19.5737 19.6122 19.7455 19.9768 20.0357 20.2435 20.4254 20.4710 20.5416 20.6733 20.8097 21.0893 21.1863 21.3253 21.3676 21.4396 21.5003 21.7336 21.8385 21.9493 21.9693 22.1226 22.1568 22.3026 22.3854 22.4829 22.6256 22.8253 22.8759 23.0537 23.2571 23.4529 23.5210 23.7163 23.7964 23.9393 23.9894 24.0591 24.2727 24.4465 24.5636 24.6518 24.7655 24.9487 25.0148 25.0507 25.2302 25.3205 25.4061 25.5378 25.6058 25.7539 26.0478 26.1493 26.1772 26.3747 26.5282 26.5907 26.7051 26.8774 26.9746 27.0831 27.2137 27.3506 27.5032 27.6050 27.7338 27.8086 27.8987 27.9728 28.0364 28.1164 28.1863 28.3043 28.4661 28.6059 28.6473 28.9181 28.9567 29.3297 29.3639 29.6191 29.7547 29.8958 29.9594 30.0650 30.1344 30.2039 30.3635 30.4794 30.5804 30.7042 30.8597 31.0439 31.3554 31.4751 31.5821 31.6711 31.7845 31.8840 32.0036 32.1650 32.2824 32.4154 32.6306 32.7649 32.8172 32.8414 33.0426 33.1947 33.2752 33.5968 33.8018 33.8920 33.9523 33.9943 34.1391 34.2540 34.3537 34.6285 34.6644 34.7508 35.0709 35.1872 35.3510 35.5121 35.6681 35.8369 35.9536 36.0398 36.3376 36.4242 36.4890 36.8155 36.8713 37.0241 37.0620 37.2469 37.3370 37.5286 37.5892 37.7581 37.8196 37.9778 38.0390 38.1164 38.3490 38.5429 38.8670 38.9951 39.0938 39.2276 39.4121 39.5301 39.7298 39.8423 39.8746 40.2088 40.3733 40.5058 40.6064 40.6986 40.9504 41.1491 41.2704 41.3943 41.4224 41.5619 41.7926 41.9760 42.1015 42.1357 42.3651 42.5467 42.7514 42.8314 42.8949 42.9605 43.1787 43.3117 43.4159 43.6610 43.6808 43.7448 43.8101 44.0343 44.1841 44.2281 44.2666 44.5764 44.6544 44.7435 44.8751 44.9844 45.0972 45.4107 45.5971 45.6541 45.7540 45.8378 45.9050 46.2106 46.3056 46.6165 46.6617 46.7622 47.0184 47.1326 47.4313 47.4970 47.5228 47.6188 47.7124 47.9666 48.0786 48.3342 48.6162 48.7680 48.9210 49.0223 49.2093 49.3442 49.5591 49.7881 49.9419 50.1353 50.2794 50.3754 50.6264 50.6777 50.7954 50.9014 51.0849 51.2659 51.3887 51.7439 51.8367 51.8705 51.9643 52.3667 52.5328 52.6523 52.7817 52.8492 53.0961 53.2132 53.4728 53.5966 54.0455 54.2178 54.3003 55.0374 55.0943 55.3067 55.4383 55.5947 55.6458 56.1303 56.3165 56.5572 56.5747 56.7691 56.9479 57.2570 57.5100 57.5858 57.8108 57.9661 58.2202 58.3816 58.4603 58.6372 58.8183 58.8999 59.1271 59.2754 59.4870 59.5491 59.5808 59.7136 59.9027 59.9717 60.2685 60.3818 60.5183 60.7774 60.9761 61.1733 61.3055 61.6474 61.7414 61.9704 62.0935 62.2006 62.3941 62.7765 62.9331 62.9871 63.0450 63.2828 63.5007 63.7884 63.8977 64.2233 64.3435 64.6081 64.7304 64.8798 64.9405 65.2583 65.3306 65.4656 65.6781 65.9253 66.0979 66.1952 66.2982 66.3271 66.7189 66.8697 66.9414 67.0934 67.3738 67.5033 67.6532 67.8345 67.9684 68.1362 68.4327 68.6267 68.9011 69.0842 69.4914 69.9342 70.3289 70.4735 70.8712 71.1837 71.3769 71.5666 71.6826 71.7467 71.8574 72.2453 72.4228 72.4820 72.7911 73.1937 73.4281 73.5471 73.8241 74.0092 74.1179 74.3741 74.4436 74.9029 75.0880 75.3180 75.5587 75.7092 75.8709 76.0593 76.1770 76.2898 76.5563 76.7194 77.0020 77.0488 77.1953 77.3964 77.4484 77.6803 77.7435 78.0460 78.2707 78.3979 78.5839 78.6651 78.8013 78.8317 78.8985 79.0369 79.1454 79.3785 79.4594 79.6043 79.6743 79.8779 79.9150 80.0824 80.1327 80.2018 80.2685 80.3594 80.3925 80.4664 80.5943 80.6335 80.9616 81.0253 81.1554 81.3418 81.4680 81.5722 81.7832 81.8550 81.9810 82.2811 82.4702 82.4924 82.5402 82.7458 82.9293 83.1079 83.1795 83.2816 83.3770 83.6205 83.7061 83.8663 84.0222 84.0313 84.1305 84.3211 84.5183 84.6382 84.6852 84.8409 85.0941 85.2230 85.3541 85.4700 85.5284 85.6088 85.8760 85.9106 86.0004 86.2221 86.2604 86.3638 86.6057 86.7582 86.9043 86.9235 87.0072 87.0916 87.3393 87.4230 87.6247 87.7090 87.9008 88.0408 88.1525 88.1863 88.4328 88.5308 88.6625 88.7491 88.7733 88.8523 89.0321 89.2019 89.3899 89.4543 89.6726 89.7628 89.8439 89.9898 90.2637 90.3179 90.4150 90.5483 90.6404 90.6751 90.7568 90.9565 91.2180 91.2874 91.3855 91.5591 91.6541 91.7326 91.7904 91.9607 92.0144 92.3278 92.4716 92.5011 92.5614 92.7057 93.0094 93.0271 93.0995 93.2087 93.3228 93.5171 93.6171 93.8075 94.0350 94.1218 94.1710 94.3800 94.4500 94.4666 94.5085 94.7073 94.7232 94.9701 95.0525 95.1757 95.2369 95.3962 95.5575 95.7945 95.9837 96.1628 96.2862 96.3260 96.4476 96.7527 96.9672 97.0309 97.0828 97.3010 97.3672 97.5995 97.6999 97.7462 97.9439 98.1105 98.1796 98.3679 98.5100 98.7974 98.8984 99.0076 99.1191 99.2250 99.3053 99.4624 99.6846 99.9448 100.1847 100.2704 100.3909 100.5484 100.6324 100.7105 100.8530 101.0421 101.2050 101.3454 101.3944 101.7270 101.9130 102.0392 102.1048 102.4258 102.6983 102.8061 103.0090 103.0644 103.2222 103.3755 103.5576 103.6897 103.7900 103.9450 103.9541 104.2738 104.4454 104.6235 104.7040 104.8513 104.9261 105.1641 105.3590 105.5032 105.6596 105.7412 105.9236 106.1631 106.2937 106.6227 106.6877 106.8498 106.9533 107.2701 107.3589 107.7348 107.9000 107.9601 108.0979 108.2582 108.4293 108.5472 108.8168 108.8666 109.2648 109.4018 109.4773 109.5326 109.9074 110.0716 110.1682 110.2328 110.3582 110.5314 110.8630 110.9983 111.1638 111.2381 111.3803 111.5942 111.6138 111.7183 111.9148 112.0894 112.1125 112.5496 112.7492 112.8965 113.0854 113.2522 113.4097 113.7379 113.7896 113.8775 113.9119 114.0884 114.4936 114.5977 114.6853 114.8183 114.9694 115.1312 115.2299 115.3427 115.5132 115.7862 115.9198 116.0776 116.1209 116.2528 116.3837 116.6215 116.9225 117.0423 117.1856 117.4441 117.4691 117.6089 117.8774 117.9609 118.1191 118.2029 118.3528 118.4449 118.5662 118.6900 118.8752 119.1697 119.3093 119.5142 119.6160 120.0783 120.2743 120.4346 120.6150 120.9547 121.3491 121.4882 121.5993 121.8058 121.9225 122.2068 122.4764 122.8853 123.0097 123.1471 123.4307 123.7286 123.9163 124.0131 124.3052 124.4688 124.5715 124.9894 125.3249 125.7672 126.0758 126.3521 126.5132 126.7476 127.0506 127.2828 127.6048 127.7268 127.8562 128.3570 128.5045 128.7885 128.9377 129.1363 129.4474 129.9141 130.0230 130.3551 130.5022 130.6404 130.8062 131.0655 131.3768 131.4972 131.8790 132.3524 132.4187 132.5421 132.7786 132.9293 133.2100 133.3647 133.5709 133.8466 134.0629 134.3090 134.9759 135.4273 135.6381 136.0067 136.1564 136.4997 136.5989 136.7720 136.8832 137.0569 137.4729 137.6943 137.9529 138.1722 138.4161 139.2518 139.3466 139.6883 139.9238 140.0721 140.5024 140.7523 141.0339 141.2595 141.7154 142.3418 142.5350 142.6032 142.7917 142.8963 143.2741 143.3533 143.5816 143.7832 143.8430 144.0296 144.2710 144.6147 144.6669 144.9200 145.0238 145.1912 145.3120 145.5475 145.8280 146.0164 146.0536 146.0949 146.3167 146.4259 147.0008 147.1951 147.6588 148.1345 148.3878 148.5556 148.6316 148.8160 149.0520 149.3241 149.4592 149.4978 149.5332 149.9145 150.1095 150.2359 150.3700 150.4281 150.5904 150.8295 151.0317 151.1046 151.3304 151.4946 151.7206 152.0085 152.3846 152.6518 153.0613 153.1409 153.4173 153.7865 154.0899 154.3009 154.5546 154.9644 155.3788 155.6113 156.0761 156.3621 156.4544 156.6508 156.9328 157.0575 157.5108 157.5979 157.7503 157.8464 158.4119 158.8364 158.9936 159.4974 160.2765 160.6160 161.3309 161.6629 162.2028 162.7831 163.5022 164.6487 164.8223 165.3858 165.8050 166.5479 167.1488 168.6340 168.7506 169.4766 170.3713 171.2400 171.9865 172.3194 172.7201 173.2923 174.4340 174.5322 176.0049 176.0534 177.1262 177.1732 177.7631 178.2656 178.5182 179.1641 179.6439 180.0940 180.4138 181.2571 182.4768 183.2443 185.4915 186.1513 186.4120 186.6035 187.2932 187.7336 187.7757 187.9385 188.0112 188.1124 188.1372 188.2584 188.3215 188.4592 188.5802 188.6892 188.8425 189.0169 189.7488 191.0529 191.4987 191.8016 192.4256 192.5820 193.6277 193.8923 194.0056 194.9597 195.2329 195.7731 196.0256 196.4286 196.4629 196.8757 198.3545 198.7842 199.2880 201.1448 202.1880 202.6384 204.5760 205.0083 205.7160 206.4343 207.1823 208.0769 208.6398 209.6812 222.1988 223.7567 224.0683 227.1042 227.8366 228.1936 228.4025 230.3222 231.8838 232.9257 234.8051 238.5940 240.3636 241.2115 243.8252 245.4318 246.4891 246.7924 249.7327 250.7374 295.2218 298.2618 313.3605 615.4982 622.8104 622.9881 625.1040 625.4748 628.2203 631.9957 634.2703 636.6393 636.9942 637.4554 642.4067 643.3314 643.7459 646.2137 646.4173 647.2894 649.7836 650.3407 653.5309 716.3031 902.6199 907.0976 1199.4473 1199.8618 1201.0401 1201.7397 1211.4169 1214.2207 1558.2484 1559.4089 1564.7808 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 -0.032659 -0.156771 -0.158429 -0.150709 -0.279042 -0.268015 -0.389564 -0.338078 -0.335630 -0.332934 -0.119419 -0.127939 0.297825 0.195428 -0.025862 0.362589 -0.290354 -0.287399 0.104136 -0.195190 0.274345 -0.155991 0.281493 -0.155468 0.316307 0.033446 -0.195226 -0.102001 0.538696 0.067798 -0.157469 -0.226430 0.106975 0.105593 0.102919 0.097940 0.100223 0.122552 0.108457 0.134745 0.113893 0.123479 0.128199 0.111947 0.116295 0.092818 0.107813 0.135701 0.108946 0.090016 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 17.0327 9.1568 9.1584 9.1507 8.2790 8.2680 8.3896 8.3381 8.3356 8.3329 7.1194 7.1279 5.7022 5.8046 6.0259 5.6374 6.2904 6.2874 5.8959 6.1952 5.7257 6.1560 5.7185 6.1555 5.6837 5.9666 6.1952 6.1020 5.4613 5.9322 6.1575 6.2264 0.8930 0.8944 0.8971 0.9021 0.8998 0.8774 0.8915 0.8653 0.8861 0.8765 0.8718 0.8881 0.8837 0.9072 0.8922 0.8643 0.8911 0.9100 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 -0.0327 -0.1568 -0.1584 -0.1507 -0.2790 -0.2680 -0.3896 -0.3381 -0.3356 -0.3329 -0.1194 -0.1279 0.2978 0.1954 -0.0259 0.3626 -0.2904 -0.2874 0.1041 -0.1952 0.2743 -0.1560 0.2815 -0.1555 0.3163 0.0334 -0.1952 -0.1020 0.5387 0.0678 -0.1575 -0.2264 0.1070 0.1056 0.1029 0.0979 0.1002 0.1226 0.1085 0.1347 0.1139 0.1235 0.1282 0.1119 0.1163 0.0928 0.1078 0.1357 0.1089 0.0900 1.2889 1.1535 1.1491 1.1621 2.1483 2.1130 2.1124 2.1720 2.1839 2.1450 3.0953 3.3141 3.8443 3.6267 3.9627 4.2455 3.9269 3.9383 3.6374 4.1755 4.2822 3.8305 4.2387 4.1805 4.2578 4.0477 3.8763 4.0191 4.4146 3.8679 3.8662 3.9807 1.0114 1.0078 1.0070 1.0055 1.0133 1.0196 1.0443 1.0244 1.0150 1.0079 0.9917 1.0174 1.0197 1.0070 0.9989 1.0097 1.0069 1.0152 1.2889 1.1535 1.1491 1.1621 2.1483 2.1130 2.1124 2.1720 2.1839 2.1450 3.0953 3.3141 3.8443 3.6267 3.9627 4.2455 3.9269 3.9383 3.6374 4.1755 4.2822 3.8305 4.2387 4.1805 4.2578 4.0477 3.8763 4.0191 4.4146 3.8679 3.8662 3.9807 1.0114 1.0078 1.0070 1.0055 1.0133 1.0196 1.0443 1.0244 1.0150 1.0079 0.9917 1.0174 1.0197 1.0070 0.9989 1.0097 1.0069 1.0152 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 1.1515 1.1246 1.1227 1.1542 0.8730 1.1951 1.1695 0.8581 1.9444 2.0197 2.0510 1.9733 0.7386 1.1561 1.0785 1.1962 1.1211 0.9027 0.9376 0.9855 0.9359 1.4495 1.4471 1.6570 0.9942 0.9777 0.9858 0.9885 0.9961 0.9720 0.9733 1.4264 0.9375 1.3311 0.9623 1.0985 0.9741 1.4774 0.9565 1.4213 0.9750 0.9795 0.9703 0.9662 0.9725 0.9920 0.9743 1.9135 0.9645 0.9947 1.0008 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 -0.029598836 -2093.814333721499 28.86738 -30.86578 -1.99840 19.09370 -18.25217 0.84153 6.47590 -6.54433 -0.06843 2.16944 5.51427