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 N C C C 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 H 1 2 2 2 3 3 3 4 5 5 5 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 6 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:1.917,-.0732,-2.2722;4.1788,1.1109,-.7909;4.913,-.673,-1.7355;4.671,-.6108,.4046;-2.0172,-1.6982,.3433;-1.661,-1.5754,2.5536;-1.592,3.5152,.2582;-5.0611,-2.7032,-.5173;.4478,-3.5079,.2341;.7986,-2.0898,-.1251;.0753,-2.3914,1.1789;-.5838,-4.2129,-.6143;1.5297,-4.4436,.7249;2.165,-1.5746,-.0488;-1.2787,-1.8622,1.4543;2.7263,-.7185,-.8949;-3.2858,-1.0569,.4621;4.1332,-.2216,-.7542;-3.2214,.2736,-.248;-4.28,-1.9749,-.0948;-2.4651,1.2726,.3573;-3.8344,.5,-1.4695;-2.3034,2.4931,-.2808;-3.6885,1.737,-2.0837;-2.922,2.73,-1.504;-.5116,3.2453,1.0565;.4971,2.3826,.6454;-.4264,3.9081,2.2704;1.5931,2.1848,1.4697;.6826,3.7089,3.0797;1.691,2.8432,2.6872;.1837,-1.6561,-.9041;.6825,-2.3416,2.0757;-.0804,-4.7607,-1.4122;-1.1431,-4.9371,-.02;-1.2974,-3.5396,-1.0802;2.2367,-3.9695,1.4045;1.0844,-5.2826,1.2607;2.0955,-4.8478,-.1157;2.7748,-1.9084,.7812;-3.5287,-.9071,1.5185;-2.0059,1.0994,1.3238;-4.4256,-.2712,-1.9451;-4.1688,1.9221,-3.035;-2.7964,3.6899,-1.9871;.438,1.8782,-.3112;-1.2199,4.5798,2.5702;2.3833,1.5208,1.1507;.7515,4.2296,4.0254;2.5534,2.6875,3.321; 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 1730 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 232 Dim 1238 ENuc 3321.7005453689 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 6.753e-06 Time for diagonalization 0.614 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.480 sec Total time needed 1.108 sec 17 9 9 9 8 8 8 7 6 6 6 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 1 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:1.917,-.0732,-2.2722;4.1788,1.1109,-.7909;4.913,-.673,-1.7355;4.671,-.6108,.4046;-2.0172,-1.6982,.3433;-1.661,-1.5754,2.5536;-1.592,3.5152,.2582;-5.0611,-2.7032,-.5173;.4478,-3.5079,.2341;.7986,-2.0898,-.1251;.0753,-2.3914,1.1789;-.5838,-4.2129,-.6143;1.5297,-4.4436,.7249;2.165,-1.5746,-.0488;-1.2787,-1.8622,1.4543;2.7263,-.7185,-.8949;-3.2858,-1.0569,.4621;4.1332,-.2216,-.7542;-3.2214,.2736,-.248;-4.28,-1.9749,-.0948;-2.4651,1.2726,.3573;-3.8344,.5,-1.4695;-2.3034,2.4931,-.2808;-3.6885,1.737,-2.0837;-2.922,2.73,-1.504;-.5116,3.2453,1.0565;.4971,2.3826,.6454;-.4264,3.9081,2.2704;1.5931,2.1848,1.4697;.6826,3.7089,3.0797;1.691,2.8432,2.6872;.1837,-1.6561,-.9041;.6825,-2.3416,2.0757;-.0804,-4.7607,-1.4122;-1.1431,-4.9371,-.02;-1.2973,-3.5396,-1.0802;2.2367,-3.9695,1.4045;1.0844,-5.2826,1.2607;2.0955,-4.8478,-.1157;2.7748,-1.9084,.7812;-3.5287,-.9071,1.5185;-2.0059,1.0994,1.3238;-4.4256,-.2712,-1.9451;-4.1688,1.9221,-3.035;-2.7964,3.6899,-1.9871;.438,1.8782,-.3112;-1.2199,4.5798,2.5702;2.3833,1.5208,1.1507;.7515,4.2296,4.0254;2.5534,2.6875,3.321; 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 4 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:1.917,-.0732,-2.2722;4.1788,1.1109,-.7909;4.913,-.673,-1.7355;4.671,-.6108,.4046;-2.0172,-1.6982,.3433;-1.661,-1.5754,2.5536;-1.592,3.5152,.2582;-5.0611,-2.7032,-.5173;.4478,-3.5079,.2341;.7986,-2.0898,-.1251;.0753,-2.3914,1.1789;-.5838,-4.2129,-.6143;1.5297,-4.4436,.7249;2.165,-1.5746,-.0488;-1.2787,-1.8622,1.4543;2.7263,-.7185,-.8949;-3.2858,-1.0569,.4621;4.1332,-.2216,-.7542;-3.2214,.2736,-.248;-4.28,-1.9749,-.0948;-2.4651,1.2726,.3573;-3.8344,.5,-1.4695;-2.3034,2.4931,-.2808;-3.6885,1.737,-2.0837;-2.922,2.73,-1.504;-.5116,3.2453,1.0565;.4971,2.3826,.6454;-.4264,3.9081,2.2704;1.5931,2.1848,1.4697;.6826,3.7089,3.0797;1.691,2.8432,2.6872;.1837,-1.6561,-.9041;.6825,-2.3416,2.0757;-.0804,-4.7607,-1.4122;-1.1431,-4.9371,-.02;-1.2974,-3.5396,-1.0802;2.2367,-3.9695,1.4045;1.0844,-5.2826,1.2607;2.0955,-4.8478,-.1157;2.7748,-1.9084,.7812;-3.5287,-.9071,1.5185;-2.0059,1.0994,1.3238;-4.4256,-.2712,-1.9451;-4.1688,1.9221,-3.035;-2.7964,3.6899,-1.9871;.438,1.8782,-.3112;-1.2199,4.5798,2.5702;2.3833,1.5208,1.1507;.7515,4.2296,4.0254;2.5534,2.6875,3.321; -1928.16227067 3321.70054537 -5249.86281604 -9249.65573185 3999.79291582 -3849.84593895 1921.68366829 2.00337132 115.999985950107 115.999985950107 231.999971900215 -157.122521339140 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.9425 -675.8346 -675.6658 -675.6482 -525.4604 -524.7766 -523.5497 -392.9169 -287.0545 -283.9540 -283.0932 -282.2370 -281.9602 -281.6791 -281.2508 -281.1617 -281.1213 -280.9559 -280.9307 -280.8183 -280.2904 -280.2651 -280.1688 -280.1480 -280.0766 -280.0391 -280.0363 -279.9895 -279.9469 -279.8710 -279.8503 -261.2083 -200.0503 -199.8056 -199.7960 -39.6074 -37.1068 -36.9882 -34.3699 -33.2017 -31.7979 -28.5437 -28.3863 -27.9346 -27.4227 -26.8671 -25.6177 -25.0298 -24.3733 -24.0975 -23.8896 -23.7983 -23.3468 -23.0592 -22.6047 -21.6479 -20.8709 -20.5931 -20.2119 -19.9362 -19.7175 -19.5807 -19.5544 -19.4710 -18.7209 -18.4407 -18.3766 -17.7101 -17.2586 -16.8769 -16.7336 -16.4528 -16.4315 -16.1731 -16.1572 -16.0496 -15.9697 -15.8815 -15.5270 -15.4446 -15.2191 -15.0913 -15.0245 -14.8895 -14.8375 -14.5564 -14.4570 -14.4018 -14.2675 -14.2048 -14.0401 -13.8775 -13.7175 -13.6043 -13.5101 -13.2840 -13.2428 -13.1713 -13.0310 -12.9681 -12.7165 -12.6406 -12.4442 -12.2951 -12.2206 -12.0252 -11.8474 -11.8231 -11.6612 -11.2509 -10.7971 -9.9241 -9.6959 -9.6335 -9.5418 -8.7108 0.6295 0.7952 1.2516 1.5179 1.7442 1.9581 2.4115 2.5845 2.7033 2.9163 3.1708 3.3650 3.5583 3.7875 3.8751 3.9282 4.1232 4.3160 4.3950 4.5090 4.6988 4.7302 4.8412 4.9451 5.1453 5.3205 5.4276 5.5643 5.6209 5.6965 5.7599 5.8267 5.8822 5.9931 6.0903 6.2251 6.3085 6.3843 6.6326 6.7780 6.7977 6.9968 7.1656 7.1857 7.3575 7.3614 7.4787 7.5705 7.6722 7.7244 7.8153 7.8434 7.9570 7.9899 8.1647 8.2408 8.3645 8.5093 8.5829 8.7111 8.7812 8.8702 9.0780 9.0874 9.2220 9.2460 9.2758 9.4019 9.4853 9.5334 9.6592 9.8829 9.9098 10.0180 10.1059 10.2641 10.4530 10.5923 10.7189 10.8170 10.8918 10.9860 11.1132 11.2754 11.3289 11.3382 11.3859 11.4403 11.5368 11.6507 11.7631 11.7950 11.9165 11.9885 12.0913 12.2600 12.3044 12.3638 12.4725 12.5528 12.6120 12.7298 12.8106 12.8662 12.9956 13.0727 13.1580 13.3299 13.4108 13.4755 13.5471 13.6259 13.6896 13.8090 13.8364 13.9175 14.0337 14.1053 14.1286 14.2386 14.2725 14.3958 14.5285 14.5655 14.7480 14.8600 14.9759 15.0720 15.1280 15.2646 15.3661 15.4925 15.5654 15.6087 15.7178 15.7925 15.8455 15.9910 16.0447 16.1987 16.2920 16.3144 16.4230 16.5758 16.7517 16.9014 17.0115 17.0777 17.1676 17.2008 17.3203 17.5024 17.5145 17.6208 17.9092 18.0260 18.2342 18.3610 18.5221 18.6510 18.7809 18.8580 18.9311 18.9457 19.1263 19.2697 19.4713 19.6640 19.7637 19.7765 20.1113 20.2367 20.2833 20.3829 20.4707 20.6316 20.6678 20.8477 20.9305 20.9950 21.0495 21.2724 21.3322 21.4791 21.5675 21.6307 21.7173 21.8051 21.9477 21.9770 22.0731 22.2312 22.3021 22.4306 22.6561 22.7613 22.8727 23.2428 23.3100 23.4572 23.4924 23.6815 23.7464 23.8519 23.9011 23.9790 24.2394 24.3431 24.3874 24.5120 24.6882 24.7149 24.8679 24.9659 25.1275 25.2899 25.4713 25.5079 25.6510 25.8202 25.9009 25.9826 26.2661 26.3459 26.6377 26.7828 26.9369 26.9695 27.0571 27.1246 27.1848 27.3799 27.5183 27.5656 27.5914 27.7592 27.9515 28.0103 28.1684 28.2287 28.3939 28.5844 28.7358 28.8387 28.9552 29.1397 29.2210 29.3444 29.4670 29.5351 29.8094 29.9744 30.2150 30.3167 30.3649 30.4793 30.5719 30.7234 30.8705 31.0076 31.0967 31.2969 31.3970 31.6326 31.7030 31.8225 32.0068 32.1613 32.2645 32.3725 32.5826 32.7340 32.8003 32.8800 32.9439 33.1878 33.2221 33.2648 33.3813 33.5610 33.7538 33.9463 33.9719 34.1111 34.3113 34.4908 34.6720 34.8812 34.9649 35.0908 35.1652 35.3861 35.4672 35.5532 35.6761 35.7140 35.7604 36.0554 36.2503 36.5009 36.6288 36.6656 36.7984 36.8869 36.9220 37.0574 37.1863 37.2700 37.4255 37.4983 37.5853 37.6792 37.9172 38.0400 38.2440 38.2615 38.3665 38.5210 38.6068 38.7817 38.9155 38.9936 39.1119 39.2562 39.3463 39.4516 39.5576 39.7441 39.9234 40.0252 40.1886 40.3204 40.4752 40.5253 40.8140 40.8985 41.0651 41.2983 41.5225 41.5557 41.6569 41.7885 41.9119 42.2468 42.4460 42.5238 42.7007 42.7312 42.7635 42.9755 43.0219 43.1796 43.2522 43.4638 43.5510 43.7061 43.9151 44.0093 44.1212 44.2613 44.4037 44.5055 44.6974 44.7740 44.9206 45.1471 45.2591 45.3756 45.4910 45.8034 45.8744 45.9832 46.1507 46.2643 46.3219 46.4674 46.6278 46.8639 47.0006 47.1559 47.1658 47.3575 47.5970 47.7893 47.8512 47.9277 48.1110 48.2759 48.5797 48.6116 48.6992 48.8950 49.1130 49.4882 49.6536 49.8769 49.9892 50.0391 50.2300 50.3436 50.5064 50.7348 50.9227 51.1990 51.2197 51.4241 51.5615 51.7554 51.8639 51.9563 52.4125 52.5262 52.6806 52.8332 52.8466 53.1515 53.3899 53.4941 53.6209 53.7829 53.9787 54.2684 54.3429 54.5895 54.5965 55.2074 55.3242 55.5113 55.7727 55.9381 56.1509 56.3596 56.3751 56.4640 56.5823 56.8686 56.9411 57.1687 57.3846 57.5464 57.6597 57.8577 57.9486 58.3148 58.5549 58.6592 58.9346 59.1525 59.4344 59.6068 59.6698 59.8630 59.9073 60.0080 60.1845 60.3008 60.4480 60.8563 60.9503 61.1963 61.4051 61.5458 61.7238 62.0657 62.1985 62.6208 62.7733 62.9364 63.0880 63.4541 63.5370 63.9511 63.9980 64.2498 64.4415 64.6160 64.7697 65.0541 65.1042 65.4955 65.5634 65.6021 65.7734 65.8025 66.2368 66.3960 66.5330 66.6241 66.8104 67.0173 67.2316 67.4303 67.4992 67.6056 67.7606 67.8476 68.0663 68.2759 68.5503 68.8141 68.9582 69.0972 69.4412 69.7238 69.9527 70.1086 70.3203 70.7100 70.8482 70.9098 71.1813 71.6881 71.8073 71.9372 72.2743 72.3817 72.7234 72.9069 73.1232 73.1738 73.3138 73.6737 73.8327 73.9704 74.1161 74.2913 74.6008 74.6874 74.7659 75.0284 75.2137 75.2586 75.6741 75.8594 76.0631 76.1650 76.3213 76.4894 76.5488 76.6212 76.8355 77.0086 77.2396 77.3838 77.5516 77.5763 77.7369 77.8310 78.1955 78.3738 78.4743 78.5212 78.6343 78.7124 78.9105 79.1294 79.2045 79.3006 79.4632 79.5738 79.7413 79.7843 80.0257 80.2578 80.4131 80.5458 80.5776 80.7494 80.8018 80.9817 81.2984 81.4435 81.5041 81.5729 81.6970 81.7529 81.9961 82.0978 82.1489 82.3093 82.4342 82.6035 82.7406 82.7793 82.9694 83.1514 83.3068 83.5365 83.6300 83.9404 83.9903 84.0102 84.1889 84.3099 84.4182 84.5110 84.6275 84.7691 84.8551 84.9940 85.0889 85.1231 85.1974 85.3457 85.4955 85.6404 85.7348 85.9059 85.9890 86.0833 86.1880 86.3638 86.5380 86.5940 86.6181 86.7211 86.8044 87.0277 87.2353 87.3452 87.3888 87.4926 87.6393 87.7446 87.9805 88.0290 88.2135 88.3722 88.4900 88.5723 88.6250 88.7410 88.8581 88.9192 89.0779 89.1922 89.2691 89.3509 89.4631 89.5782 89.6231 89.7100 89.8242 90.1901 90.2861 90.3444 90.5013 90.5531 90.6868 90.7419 91.1241 91.2019 91.3534 91.4528 91.6024 91.6461 91.8644 91.9157 92.2544 92.3404 92.4419 92.4868 92.6392 92.7365 92.8176 92.8623 92.9583 93.0751 93.2234 93.2846 93.4661 93.5475 93.6470 93.8053 93.9118 94.0428 94.1474 94.3268 94.3864 94.4751 94.6375 94.7137 94.9492 95.0630 95.2317 95.2780 95.3721 95.5870 95.7425 95.8294 95.8772 96.2423 96.3860 96.5455 96.6512 96.7876 96.8793 96.9842 97.0758 97.2856 97.3184 97.4431 97.6032 97.6901 97.8707 97.9189 97.9590 98.0963 98.3861 98.4539 98.7011 98.8467 98.9601 99.0544 99.0918 99.2689 99.2963 99.4718 99.7623 100.0873 100.2671 100.5226 100.7665 101.0036 101.0523 101.2288 101.2484 101.3925 101.6685 101.7590 102.0269 102.1529 102.3342 102.6789 102.8990 103.0952 103.6078 103.6621 104.0324 104.0873 104.3661 104.6160 104.6867 104.7736 104.9102 104.9636 105.2495 105.3421 105.3479 105.5217 105.6034 105.6687 105.7909 105.9593 106.0723 106.2682 106.3579 106.4539 106.5720 106.7419 106.7778 107.0014 107.0362 107.2649 107.4465 107.5903 107.6748 107.8171 108.0156 108.2029 108.2322 108.3934 108.5206 108.6272 108.9934 109.2313 109.2855 109.3701 109.4735 109.7596 109.8301 110.0180 110.1147 110.1940 110.4485 110.5009 110.6073 110.7399 110.8500 110.9529 111.1124 111.1365 111.2431 111.4438 111.6860 111.9485 112.0852 112.1522 112.3197 112.3570 112.6762 112.7633 112.9221 113.1174 113.3167 113.4278 113.6657 113.8114 114.1070 114.3282 114.4519 114.7151 114.8583 114.9910 115.0574 115.2690 115.5397 115.5742 115.6408 115.7486 115.9875 116.1459 116.3734 116.4453 116.5286 116.6089 116.7773 116.9482 117.1736 117.2828 117.4560 117.4878 117.6448 117.8017 117.8605 117.9550 118.0584 118.2460 118.3573 118.4149 118.5713 118.7380 119.0437 119.1355 119.3193 119.4808 119.5568 119.6525 119.9452 120.0416 120.1270 120.4452 120.5482 120.8959 121.0106 121.1336 121.5374 121.7427 121.9188 122.0622 122.2335 122.6145 122.8499 123.0496 123.3588 123.5957 123.7733 123.9434 124.1283 124.1907 124.5953 124.7333 125.1959 125.4109 125.6566 125.7940 126.1943 126.4730 126.5168 126.6951 126.9047 127.2268 127.6224 127.8540 128.1489 128.2839 128.5090 128.7789 129.0090 129.2682 129.3041 129.6126 129.7281 129.9129 130.1979 130.3665 130.4131 130.7787 130.8573 131.0056 131.1784 131.3340 131.6463 131.7305 131.8912 132.0137 132.4106 132.7124 132.8355 132.8790 133.0338 133.4109 133.7282 133.8976 134.5957 134.6382 134.8424 135.3158 135.6326 135.9644 136.1400 136.8092 136.9138 137.2354 137.3175 137.6818 137.9426 138.1631 138.2495 138.5634 138.6780 139.0926 139.3563 139.5442 139.9013 139.9614 140.4765 140.7378 140.8677 141.2822 141.4524 141.6144 141.9192 142.4519 142.6933 142.9576 143.6451 143.8230 144.3188 144.3498 144.4581 144.5914 144.7453 144.8107 145.0672 145.1837 145.3516 145.6520 145.9986 146.1481 146.4804 146.5252 146.9155 147.4430 147.6878 147.7972 147.8135 147.9869 148.2975 148.4297 148.6872 148.9687 149.2137 149.3781 149.5906 150.0237 150.1896 150.6682 150.8903 151.3133 151.8594 152.0478 152.1782 152.5184 152.5834 152.9325 153.3451 153.8902 154.1352 154.5584 155.0200 155.5040 155.7132 156.0619 156.7240 157.0429 157.0790 157.3394 157.6894 158.0542 158.3990 158.9495 159.0954 159.3101 159.4525 159.8191 160.1712 160.4564 161.0934 162.0190 162.2393 163.1548 163.2871 164.0913 164.4250 166.1515 167.5017 168.1593 169.1523 170.4859 172.1991 172.4761 172.8210 173.2527 174.4488 176.0626 176.8344 177.4620 179.0930 180.9267 182.8524 184.9449 185.3314 186.8043 187.1827 187.2965 188.0683 188.2350 188.3863 188.6019 188.7026 188.7146 188.7628 188.9510 189.2631 189.7690 192.0645 192.0836 192.2542 192.8390 193.5810 194.1701 194.3960 194.9095 195.8562 196.4858 196.6225 197.8173 201.8669 202.8807 202.9912 203.6466 204.7736 206.3211 206.7385 207.3993 209.1423 209.3062 221.8146 223.4929 223.9059 226.6988 227.6855 228.4052 228.6155 229.1465 232.4404 233.2032 235.0383 238.7874 240.8714 241.4078 244.1379 245.5113 247.0488 247.3445 249.7701 251.4804 296.1936 297.9706 312.6168 616.5836 618.6366 619.0268 624.9676 625.6513 629.6510 630.8878 632.0475 633.3232 634.2796 634.7162 635.4902 636.5059 636.9157 637.4752 637.7999 640.6594 642.3159 644.1077 646.6946 650.1199 657.2168 658.2756 710.5406 877.6386 1199.0495 1212.2013 1215.0287 1557.8420 1560.8396 1563.2935 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 N C C C 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 H -0.053406 -0.159957 -0.157046 -0.175157 -0.263455 -0.343142 -0.297081 0.002085 0.052244 0.079847 -0.088909 -0.237678 -0.246324 -0.175985 0.344554 -0.103599 0.305785 0.532366 -0.009441 -0.281873 -0.156249 -0.170289 0.202266 -0.081933 -0.199914 0.249238 -0.190979 -0.212213 -0.057049 -0.074750 -0.173147 0.087744 0.086273 0.089644 0.098248 0.093548 0.075047 0.099487 0.100964 0.116684 0.139347 0.144772 0.127185 0.131012 0.129468 0.126188 0.126423 0.117749 0.126432 0.124981 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 N C C C 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 H 17.0534 9.1600 9.1570 9.1752 8.2635 8.3431 8.2971 6.9979 5.9478 5.9202 6.0889 6.2377 6.2463 6.1760 5.6554 6.1036 5.6942 5.4676 6.0094 6.2819 6.1562 6.1703 5.7977 6.0819 6.1999 5.7508 6.1910 6.2122 6.0570 6.0747 6.1731 0.9123 0.9137 0.9104 0.9018 0.9065 0.9250 0.9005 0.8990 0.8833 0.8607 0.8552 0.8728 0.8690 0.8705 0.8738 0.8736 0.8823 0.8736 0.8750 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 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 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 -0.0534 -0.1600 -0.1570 -0.1752 -0.2635 -0.3431 -0.2971 0.0021 0.0522 0.0798 -0.0889 -0.2377 -0.2463 -0.1760 0.3446 -0.1036 0.3058 0.5324 -0.0094 -0.2819 -0.1562 -0.1703 0.2023 -0.0819 -0.1999 0.2492 -0.1910 -0.2122 -0.0570 -0.0747 -0.1731 0.0877 0.0863 0.0896 0.0982 0.0935 0.0750 0.0995 0.1010 0.1167 0.1393 0.1448 0.1272 0.1310 0.1295 0.1262 0.1264 0.1177 0.1264 0.1250 1.2769 1.1434 1.1519 1.1266 2.0877 2.1617 2.1188 3.1146 3.7992 3.7115 3.8491 3.9133 3.9178 3.8775 4.2701 4.0466 3.8134 4.4435 3.8011 4.0393 3.8743 3.9971 3.8742 3.9641 4.0430 3.8380 3.9614 4.0543 3.8622 3.9188 4.0273 1.0479 1.0318 1.0021 1.0026 1.0180 1.0109 1.0035 1.0017 1.0318 1.0259 1.0166 1.0213 0.9993 1.0115 1.0163 1.0131 1.0181 0.9984 1.0024 1.2769 1.1434 1.1519 1.1266 2.0877 2.1617 2.1188 3.1146 3.7992 3.7115 3.8491 3.9133 3.9178 3.8775 4.2701 4.0466 3.8134 4.4435 3.8011 4.0393 3.8743 3.9971 3.8742 3.9641 4.0430 3.8380 3.9614 4.0543 3.8622 3.9188 4.0273 1.0479 1.0318 1.0021 1.0026 1.0180 1.0109 1.0035 1.0017 1.0318 1.0259 1.0166 1.0213 0.9993 1.0115 1.0163 1.0131 1.0181 0.9984 1.0024 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.1542 1.1332 1.1514 1.0998 1.1306 0.8481 1.9827 1.0101 0.9257 3.0534 0.8891 0.9034 0.9600 0.9627 0.8551 0.9951 0.9952 1.0501 1.0115 0.9891 0.9926 0.9843 0.9862 0.9877 0.9936 1.8377 0.9464 1.0048 0.9607 0.9042 0.9884 1.3463 1.4235 1.3844 0.9425 1.4436 0.9451 1.4079 1.4650 0.9744 0.9708 1.4025 1.4365 1.4018 0.9499 1.4313 0.9694 1.4438 0.9609 1.4375 0.9741 0.9788 0 15 1 17 2 17 3 17 4 14 4 16 5 14 6 22 6 25 7 19 8 9 8 10 8 11 8 12 9 10 9 13 9 31 10 14 10 32 11 33 11 34 11 35 12 36 12 37 12 38 13 15 13 39 15 17 16 18 16 19 16 40 18 20 18 21 20 22 20 41 21 23 21 42 22 24 23 24 23 43 24 44 25 26 25 27 26 28 26 45 27 29 27 46 28 30 28 47 29 30 29 48 30 49 -0.029046794 -1928.191317461117 -21.15551 21.88083 0.72532 -11.34517 11.19493 -0.15024 12.50032 -12.33524 0.16508 0.75889 1.92894