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 50 51 Cl F O O 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 H H H H H H H H H H H H H H H H H H H H H H H 1 2 3 3 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:4.0227,2.9169,1.2674;-.9971,3.186,1.2074;-1.2424,1.2107,-2.5602;-2.0665,.3397,1.8338;3.5543,.6295,-.3572;2.865,-1.7639,.5374;3.6429,-2.803,-1.2933;-1.2909,.9039,-.2698;-5.6072,.0588,-1.9352;-5.6043,-.8846,-.7319;-4.2051,.2451,-2.5189;-4.7502,-.3394,.4134;-3.2284,.429,-1.4162;-3.4706,.1797,-.1299;-1.8248,.9012,-1.56;-2.2426,.4687,.6567;-.0175,1.383,.0743;1.1296,.7191,-.3385;.1023,2.5277,.8396;2.388,1.1864,.0095;.1461,-3.0292,.6689;1.3399,3.001,1.2224;1.4606,-3.7964,.7338;2.4753,2.3322,.8051;-1.0257,-3.9299,.2978;2.6459,-2.9941,1.2391;-2.3336,-3.1668,.1607;3.5868,-.4248,-1.2736;3.3707,-1.8087,-.6797;-6.2804,-.3174,-2.7068;-6.0009,1.0324,-1.6294;-6.6244,-1.055,-.3847;-5.2122,-1.8596,-1.0368;-3.9148,-.6255,-3.1162;-4.1725,1.096,-3.203;-5.2725,.4667,.9393;-4.5594,-1.108,1.1652;1.0054,-.1767,-.9291;.219,-2.2219,-.0663;-.0561,-2.5396,1.6273;1.6898,-4.2321,-.2404;1.3518,-4.6404,1.4234;1.4188,3.8921,1.8292;-.8038,-4.447,-.6405;-1.1351,-4.7129,1.0542;2.4801,-2.6788,2.269;3.5551,-3.5989,1.2093;-2.5786,-2.6391,1.0841;-2.2744,-2.425,-.638;-3.1648,-3.8329,-.0727;4.5847,-.4174,-1.7139;2.8817,-.2841,-2.1026; 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 1676 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 222 Dim 1232 ENuc 3104.6976415908 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 7.498e-06 Time for diagonalization 0.531 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.262 sec Total time needed 0.800 sec 17 9 8 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:4.0227,2.9169,1.2674;-.9971,3.186,1.2074;-1.2424,1.2107,-2.5602;-2.0665,.3396,1.8338;3.5543,.6295,-.3572;2.865,-1.7639,.5374;3.6429,-2.803,-1.2933;-1.2909,.9039,-.2698;-5.6072,.0588,-1.9352;-5.6043,-.8846,-.7319;-4.2051,.2451,-2.5189;-4.7502,-.3394,.4134;-3.2284,.429,-1.4162;-3.4706,.1797,-.1299;-1.8248,.9012,-1.56;-2.2426,.4687,.6567;-.0175,1.383,.0743;1.1296,.7191,-.3385;.1023,2.5277,.8396;2.388,1.1864,.0095;.1461,-3.0292,.6689;1.3399,3.001,1.2224;1.4606,-3.7964,.7338;2.4753,2.3322,.8051;-1.0257,-3.9299,.2978;2.6459,-2.9941,1.2391;-2.3336,-3.1668,.1607;3.5868,-.4248,-1.2736;3.3707,-1.8087,-.6797;-6.2804,-.3174,-2.7068;-6.0009,1.0324,-1.6294;-6.6244,-1.055,-.3847;-5.2122,-1.8596,-1.0368;-3.9148,-.6255,-3.1162;-4.1725,1.096,-3.203;-5.2725,.4667,.9393;-4.5594,-1.108,1.1652;1.0054,-.1767,-.9291;.219,-2.2219,-.0663;-.0561,-2.5396,1.6273;1.6898,-4.2321,-.2404;1.3518,-4.6404,1.4234;1.4188,3.8921,1.8292;-.8038,-4.447,-.6405;-1.1351,-4.7129,1.0542;2.4801,-2.6788,2.269;3.5551,-3.5989,1.2093;-2.5786,-2.6391,1.0841;-2.2744,-2.425,-.638;-3.1648,-3.8329,-.0727;4.5847,-.4174,-1.7139;2.8817,-.2841,-2.1026; 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 4 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:4.0227,2.9169,1.2674;-.9971,3.186,1.2074;-1.2424,1.2107,-2.5602;-2.0665,.3397,1.8338;3.5543,.6295,-.3572;2.865,-1.7639,.5374;3.6429,-2.803,-1.2933;-1.2909,.9039,-.2698;-5.6072,.0588,-1.9352;-5.6043,-.8846,-.7319;-4.2051,.2451,-2.5189;-4.7502,-.3394,.4134;-3.2284,.429,-1.4162;-3.4706,.1797,-.1299;-1.8248,.9012,-1.56;-2.2426,.4687,.6567;-.0175,1.383,.0743;1.1296,.7191,-.3385;.1023,2.5277,.8396;2.388,1.1864,.0095;.1461,-3.0292,.6689;1.3399,3.001,1.2224;1.4606,-3.7964,.7338;2.4753,2.3322,.8051;-1.0257,-3.9299,.2978;2.6459,-2.9941,1.2391;-2.3336,-3.1668,.1607;3.5868,-.4248,-1.2736;3.3707,-1.8087,-.6797;-6.2804,-.3174,-2.7068;-6.0009,1.0324,-1.6294;-6.6244,-1.055,-.3847;-5.2122,-1.8596,-1.0368;-3.9148,-.6255,-3.1162;-4.1725,1.096,-3.203;-5.2725,.4667,.9393;-4.5594,-1.108,1.1652;1.0054,-.1767,-.9291;.219,-2.2219,-.0663;-.0561,-2.5396,1.6273;1.6898,-4.2321,-.2404;1.3518,-4.6404,1.4234;1.4188,3.8921,1.8292;-.8038,-4.447,-.6405;-1.1351,-4.7129,1.0542;2.4801,-2.6788,2.269;3.5551,-3.5989,1.2093;-2.5786,-2.6391,1.0841;-2.2744,-2.425,-.638;-3.1648,-3.8329,-.0727;4.5847,-.4174,-1.7139;2.8817,-.2841,-2.1026; -1805.18440180 3104.69764159 -4909.88204339 -8647.02662349 3737.14458009 -3604.21085251 1799.02645071 2.00342294 111.000414775883 111.000414775883 222.000829551767 -147.733085817812 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.3059 -675.0403 -524.9442 -524.7654 -523.4744 -523.4494 -523.1794 -394.0536 -283.4965 -283.2808 -283.2394 -282.3548 -282.0398 -281.8911 -281.7343 -281.4440 -281.4294 -280.7008 -280.6762 -280.4281 -280.3997 -280.2634 -280.2417 -280.0418 -280.0358 -279.7711 -279.6575 -279.6500 -279.4612 -260.5738 -199.4159 -199.1735 -199.1589 -36.9828 -33.9614 -33.0700 -32.8822 -32.3046 -31.3368 -29.9456 -27.9673 -27.2427 -26.3503 -25.5377 -25.0351 -24.7435 -24.3020 -24.2013 -23.7098 -23.0558 -22.2167 -21.4080 -21.3930 -20.7409 -20.4264 -20.0924 -19.8906 -19.2029 -19.1679 -18.2913 -18.1969 -17.8747 -17.7933 -17.7651 -17.2551 -16.6195 -16.4197 -16.3120 -16.1691 -16.0442 -15.9474 -15.9091 -15.6275 -15.2937 -15.1563 -15.1134 -15.0715 -15.0532 -14.7380 -14.7126 -14.5664 -14.3787 -14.3641 -14.2949 -14.0192 -13.8913 -13.8012 -13.6555 -13.5242 -13.4380 -13.0419 -12.6078 -12.4599 -12.3325 -12.2728 -12.1358 -12.0190 -12.0035 -11.9512 -11.7932 -11.6697 -11.5484 -11.2016 -11.0265 -10.8785 -10.7330 -10.4282 -10.1745 -9.9967 -9.4663 -8.5714 -0.4457 0.9466 1.7738 2.1677 2.4246 2.8020 3.0846 3.2456 3.3859 3.5375 3.6436 3.7509 3.8357 3.9633 4.0747 4.2767 4.4479 4.5909 4.6575 4.6852 4.7687 4.9945 5.0079 5.1177 5.1794 5.2074 5.4372 5.4491 5.6432 5.7875 5.8085 5.9161 6.1189 6.2899 6.3451 6.4529 6.5215 6.6915 6.7613 6.8179 6.9428 7.0816 7.1944 7.3326 7.4301 7.5348 7.6413 7.6479 7.6983 7.8579 7.9665 8.1740 8.3372 8.4249 8.5355 8.7475 8.8583 8.8982 8.9704 9.1018 9.1800 9.2382 9.3073 9.3674 9.4783 9.5838 9.7013 9.7192 9.8964 10.0183 10.1508 10.2319 10.5296 10.5332 10.6828 10.7407 10.8689 10.9405 11.0141 11.1451 11.2146 11.3822 11.4556 11.5361 11.6717 11.7039 11.8308 11.9634 12.0215 12.2156 12.3249 12.4410 12.5131 12.5911 12.7296 12.8421 12.8963 12.9783 13.0300 13.1104 13.1944 13.3222 13.3269 13.3444 13.4662 13.4947 13.5572 13.6593 13.6897 13.7883 13.8482 13.8780 13.9278 14.0065 14.1218 14.1759 14.2552 14.3897 14.4506 14.5301 14.6374 14.8284 14.8549 14.8709 15.0112 15.0459 15.1051 15.2094 15.3397 15.4397 15.4992 15.5396 15.6665 15.7339 15.8835 15.9879 16.0279 16.2575 16.4003 16.4834 16.5329 16.6868 16.8291 16.9348 16.9608 17.0233 17.1969 17.3393 17.4458 17.5307 17.6490 17.8179 17.9886 18.1064 18.2527 18.3711 18.4745 18.7895 18.8740 19.0088 19.0780 19.1514 19.3333 19.3722 19.8028 19.8250 19.9311 20.1005 20.1650 20.3544 20.4320 20.5732 20.8052 20.8904 21.1348 21.2535 21.4775 21.5510 21.5777 21.6546 21.7421 21.9317 22.0382 22.0953 22.2424 22.3144 22.4613 22.6339 22.8308 22.9023 22.9481 23.0846 23.1754 23.3929 23.4064 23.5229 23.6652 23.7992 23.8137 23.8442 24.0418 24.1725 24.4242 24.4938 24.7994 24.8730 24.9239 24.9753 25.2749 25.4385 25.4918 25.5180 25.7902 26.0258 26.1217 26.2469 26.3704 26.4755 26.6645 26.7371 26.8595 26.9244 27.1830 27.2473 27.4058 27.5026 27.6434 27.8400 27.9232 28.0101 28.0835 28.4116 28.5704 28.7535 28.8595 29.0322 29.2307 29.3272 29.4493 29.5074 29.6326 29.8362 29.9664 30.0050 30.1103 30.2829 30.3456 30.3918 30.5258 30.5597 30.7885 30.9294 31.0747 31.0971 31.3034 31.4353 31.5998 31.6134 31.7598 31.8460 31.9617 32.0528 32.2883 32.3841 32.5550 32.6470 32.8432 32.9786 33.0228 33.1568 33.2519 33.3005 33.3816 33.4986 33.5990 33.6795 33.8677 33.9222 34.0567 34.2547 34.3599 34.4262 34.5910 34.9072 34.9369 35.0999 35.2553 35.3913 35.4881 35.6586 35.7518 35.8868 35.9795 36.0468 36.3878 36.4723 36.4898 36.8152 36.9504 37.0073 37.1587 37.2830 37.3483 37.3956 37.6086 37.7301 37.7668 38.0853 38.1840 38.3432 38.4674 38.5141 38.5996 38.9039 39.0924 39.2915 39.3505 39.5719 39.6560 39.7977 39.9817 40.0585 40.1815 40.3814 40.4700 40.6803 40.9259 40.9776 41.1262 41.2308 41.3518 41.4498 41.6614 41.8508 41.9263 42.0472 42.1732 42.2089 42.2640 42.4545 42.5491 42.7942 42.9107 43.0054 43.1079 43.1497 43.3540 43.4185 43.5670 43.6247 43.9175 44.0046 44.0965 44.1357 44.3148 44.4265 44.5230 44.8207 44.9598 45.0789 45.1683 45.2609 45.5062 45.6415 45.7778 46.1075 46.1560 46.2084 46.3478 46.6060 46.6247 46.8045 46.9458 47.0473 47.1632 47.3436 47.5793 47.7174 47.8302 47.9281 48.0963 48.2351 48.3456 48.6015 48.6422 48.8104 49.0567 49.1540 49.4064 49.7924 49.9087 50.1339 50.2383 50.2919 50.3980 50.4643 50.7262 51.0313 51.1676 51.3225 51.5302 51.6466 52.0380 52.2628 52.3558 52.5605 52.6603 52.8414 53.0485 53.3087 53.3757 53.5401 53.9317 54.0345 54.3879 54.6926 54.8100 54.9091 55.3450 55.5996 55.9123 56.1663 56.4634 56.5962 56.7439 56.8091 56.9283 57.1503 57.4061 57.5169 57.6533 58.0356 58.2021 58.3362 58.4271 58.8378 59.0250 59.0995 59.4691 59.5336 59.6460 59.9912 60.1714 60.4236 60.5146 60.6496 60.7845 60.8908 61.0660 61.2272 61.3503 61.6170 61.8575 62.0539 62.1863 62.3613 62.6650 62.7144 62.8414 63.0701 63.2229 63.2786 63.4693 63.5002 63.7681 63.9598 64.1028 64.4078 64.5200 64.8019 64.9061 65.1922 65.2883 65.4472 65.6100 65.7441 65.8431 66.3892 66.4391 66.7207 66.9464 67.2866 67.4529 67.7003 67.7995 68.1156 68.2390 68.3774 68.8978 69.0897 69.3493 69.4193 69.4661 69.7710 69.9607 70.1887 70.7895 71.0511 71.1197 71.3746 71.3946 71.8163 72.0127 72.1039 72.2794 72.3917 72.6519 72.9026 73.0478 73.2412 73.4917 73.6019 73.7034 73.9711 74.1473 74.2407 74.4972 74.5956 74.6919 74.8651 74.9517 75.2152 75.5317 75.7474 75.8199 75.9006 76.0323 76.1803 76.6177 76.6795 76.8698 77.1024 77.2314 77.3401 77.4212 77.5155 77.8646 78.0378 78.0782 78.2174 78.3813 78.5824 78.7353 79.1630 79.2468 79.4259 79.6350 79.6857 79.8542 80.0088 80.0380 80.1261 80.2970 80.4642 80.5038 80.6656 80.7994 80.9296 81.1025 81.2130 81.2538 81.4110 81.4815 81.6921 81.7634 82.0472 82.1875 82.3108 82.4004 82.5376 82.6300 82.7331 82.8505 83.1060 83.3028 83.4689 83.6339 83.7084 83.8428 84.0530 84.0916 84.3083 84.5548 84.6075 84.6543 84.7323 84.8331 84.9987 85.1669 85.2928 85.3470 85.5999 85.7511 85.7945 85.8644 85.8850 85.9066 86.1471 86.2241 86.4618 86.6378 86.7885 86.8300 86.9221 87.0340 87.1174 87.2600 87.3121 87.6077 87.6635 87.6990 87.9971 88.0917 88.1595 88.2431 88.3253 88.4367 88.5356 88.5910 88.7355 88.8182 88.9251 88.9786 89.3041 89.3118 89.3890 89.5226 89.6721 89.7465 89.8512 90.0415 90.0967 90.2129 90.2319 90.3764 90.4940 90.5845 90.7011 90.7849 90.9012 90.9988 91.0904 91.3335 91.3733 91.4920 91.6472 91.7370 91.7845 92.0670 92.1380 92.2549 92.3198 92.5380 92.7018 92.8375 93.0605 93.2607 93.4259 93.5459 93.6716 93.7750 94.0013 94.0286 94.2670 94.4039 94.5213 94.5971 94.7091 94.7828 94.7940 94.9663 95.0175 95.2482 95.2678 95.4459 95.5407 95.8937 95.9260 96.0378 96.2083 96.3359 96.5434 96.8072 96.8520 97.0634 97.1332 97.2808 97.4672 97.6550 97.9003 98.1120 98.1328 98.4315 98.6698 98.7185 98.7993 99.0130 99.0551 99.2343 99.3944 99.5354 99.7219 99.8684 99.9734 100.1219 100.1399 100.2199 100.4121 100.5327 100.7688 100.8680 101.1269 101.1946 101.4798 101.5520 101.6138 101.9490 102.0633 102.1728 102.2831 102.5246 102.6709 102.7305 103.0699 103.1318 103.2354 103.4772 103.5789 103.7461 103.9048 104.1145 104.1612 104.3868 104.5002 104.6555 104.8790 105.0429 105.2556 105.3079 105.4383 105.5400 105.6260 105.8310 106.1569 106.4958 106.6255 106.7232 106.7770 107.0110 107.1568 107.2683 107.5354 107.6818 107.8046 108.0613 108.1738 108.3469 108.4846 108.5455 108.7697 108.8380 109.0281 109.1913 109.4365 109.5917 109.6047 109.8261 110.0210 110.1794 110.2373 110.3275 110.3655 110.5652 110.9311 110.9638 111.1523 111.3591 111.5991 111.6680 111.7504 111.9320 111.9978 112.1988 112.5855 112.6634 112.7744 112.8512 112.9271 113.1711 113.2316 113.3137 113.5138 113.6198 113.7121 113.9315 114.0999 114.3911 114.4052 114.5129 114.5987 114.8276 114.8714 114.9916 115.1239 115.2465 115.4571 115.6393 115.6800 115.9482 116.0852 116.2631 116.3486 116.4741 116.6177 116.9091 117.1285 117.3063 117.4233 117.5160 117.7064 117.7694 117.9927 118.1131 118.3344 118.3743 118.5824 118.7033 118.8693 118.9266 119.1756 119.2323 119.3938 119.5525 119.8125 119.8497 120.1413 120.1908 120.2379 120.3685 120.4765 120.6721 120.9596 121.1252 121.3843 121.5039 121.6908 121.8084 121.9054 121.9882 122.2119 122.4725 122.6146 122.7796 122.9862 123.4060 123.6163 123.9540 124.0899 124.3399 124.4570 124.6979 124.8182 125.1292 125.3106 125.3991 125.6206 126.0421 126.2047 126.2868 126.4875 126.7005 126.8701 127.1803 127.2975 127.7672 128.1604 128.3498 128.6603 128.8619 128.9400 129.0663 129.4733 129.5710 129.8916 130.0822 130.2328 130.7742 130.8761 131.2842 131.3442 131.4842 131.5671 131.8927 132.0569 132.5163 132.6474 133.0985 133.3450 133.4212 133.4823 133.7636 133.9541 134.0075 134.1932 134.3960 134.8807 135.0198 135.0696 135.3651 135.5505 135.6700 135.8395 136.0012 136.2717 136.4397 136.6102 136.7271 136.8124 137.2921 137.5490 137.6508 137.8317 138.0322 138.5158 138.6519 138.8279 139.0263 139.1989 139.3402 139.4087 139.7244 139.7392 140.4067 140.5317 140.8523 141.2138 141.5799 141.8954 142.0645 142.5393 142.6421 142.9791 143.5783 143.6892 143.7483 143.8645 144.2011 144.3519 144.4653 144.6780 144.8967 145.2844 145.5459 145.9871 146.0021 146.4580 146.6838 147.0849 147.1443 147.3155 147.6596 147.8639 148.0348 148.1541 148.4709 148.8339 149.0931 149.4591 149.5437 149.9627 150.1801 150.2847 150.4764 150.5671 150.6996 150.9376 151.1066 151.1836 151.2669 151.4555 152.1297 152.2021 152.3788 152.5242 152.6393 152.8367 153.2188 153.4035 153.5845 153.7419 153.9354 154.1135 154.1752 154.3031 154.5065 154.6671 154.8131 155.3854 155.4694 155.6330 155.6727 155.9010 156.2296 156.4473 156.6831 156.9021 157.3825 157.5378 157.8789 157.9709 158.2578 158.3309 158.6687 158.9919 159.3419 159.4320 159.7203 159.7443 160.1686 160.5025 160.5592 161.2108 161.2894 162.6938 162.9192 163.5315 164.3198 165.4367 166.6639 167.9551 169.5588 170.4893 171.2575 171.7965 172.2803 173.4308 173.6641 174.2212 175.3967 176.2999 177.1291 177.3652 177.5501 179.6587 180.5204 180.9073 180.9672 182.2171 182.3030 184.9830 185.7813 186.5323 187.0455 187.8912 188.1833 188.6338 189.0419 189.1302 189.4784 190.0415 191.7805 192.7799 192.9893 193.3358 194.9437 195.2247 196.1290 196.3394 197.2394 197.3985 198.2038 199.4683 200.5705 201.7562 205.1265 206.0218 206.3771 207.7879 212.1158 221.7921 223.5606 223.7581 228.1484 230.0240 230.5464 236.2396 241.3647 248.1940 249.3763 295.0180 298.1596 313.4247 615.0751 618.9599 626.5917 632.0294 633.9815 634.7186 636.3833 637.3871 637.5389 637.8417 639.4726 640.6961 640.7982 641.9870 642.2624 642.7169 643.2705 646.7449 648.2441 649.8341 650.8390 716.0950 906.2949 1197.6454 1200.6270 1202.6985 1208.3023 1215.0833 1564.8882 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 Cl F O O 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 H H H H H H H H H H H H H H H H H H H H H H H -0.053540 -0.197667 -0.307751 -0.303973 -0.279170 -0.250032 -0.356411 -0.057626 -0.136865 -0.133732 -0.065465 -0.089960 -0.092448 -0.108614 0.260046 0.235137 0.037505 -0.172588 0.182304 0.315792 -0.062888 -0.113186 -0.149546 -0.027807 -0.081707 -0.015280 -0.268628 -0.012701 0.322673 0.080455 0.076999 0.083335 0.074337 0.090667 0.096665 0.104402 0.098727 0.108693 0.013104 0.073101 0.092827 0.071177 0.114324 0.058951 0.058900 0.103221 0.109683 0.074772 0.065064 0.095493 0.130228 0.109001 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 Cl F O O 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 H H H H H H H H H H H H H H H H H H H H H H H 17.0535 9.1977 8.3078 8.3040 8.2792 8.2500 8.3564 7.0576 6.1369 6.1337 6.0655 6.0900 6.0924 6.1086 5.7400 5.7649 5.9625 6.1726 5.8177 5.6842 6.0629 6.1132 6.1495 6.0278 6.0817 6.0153 6.2686 6.0127 5.6773 0.9195 0.9230 0.9167 0.9257 0.9093 0.9033 0.8956 0.9013 0.8913 0.9869 0.9269 0.9072 0.9288 0.8857 0.9410 0.9411 0.8968 0.8903 0.9252 0.9349 0.9045 0.8698 0.8910 17.0000 9.0000 8.0000 8.0000 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 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0535 -0.1977 -0.3078 -0.3040 -0.2792 -0.2500 -0.3564 -0.0576 -0.1369 -0.1337 -0.0655 -0.0900 -0.0924 -0.1086 0.2600 0.2351 0.0375 -0.1726 0.1823 0.3158 -0.0629 -0.1132 -0.1495 -0.0278 -0.0817 -0.0153 -0.2686 -0.0127 0.3227 0.0805 0.0770 0.0833 0.0743 0.0907 0.0967 0.1044 0.0987 0.1087 0.0131 0.0731 0.0928 0.0712 0.1143 0.0590 0.0589 0.1032 0.1097 0.0748 0.0651 0.0955 0.1302 0.1090 1.2588 1.1028 2.2107 2.2000 2.1252 2.1420 2.1500 2.9994 3.8981 3.8871 3.9166 3.9127 3.6020 3.6065 4.2357 4.1938 3.6971 4.0077 4.1637 3.8963 3.8428 3.9872 3.8551 3.9297 3.9317 3.9111 3.9629 3.9431 4.1506 1.0117 1.0088 1.0123 1.0096 1.0102 1.0180 1.0088 1.0148 1.0165 1.0272 1.0157 1.0237 1.0155 1.0230 1.0077 1.0102 0.9959 1.0063 1.0059 0.9959 1.0066 1.0032 1.0020 1.2588 1.1028 2.2107 2.2000 2.1252 2.1420 2.1500 2.9994 3.8981 3.8871 3.9166 3.9127 3.6020 3.6065 4.2357 4.1938 3.6971 4.0077 4.1637 3.8963 3.8428 3.9872 3.8551 3.9297 3.9317 3.9111 3.9629 3.9431 4.1506 1.0117 1.0088 1.0123 1.0096 1.0102 1.0180 1.0088 1.0148 1.0165 1.0272 1.0157 1.0237 1.0155 1.0230 1.0077 1.0102 0.9959 1.0063 1.0059 0.9959 1.0066 1.0032 1.0020 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.1074 1.0609 2.1465 2.1260 1.1413 0.9667 0.8738 1.2040 2.0026 1.0874 1.0898 0.8445 0.9206 0.9254 1.0098 1.0059 0.9175 1.0105 1.0085 0.9958 0.9864 0.9992 0.9929 0.9837 1.0072 1.7039 0.9430 0.9199 1.3828 1.4102 1.3842 0.9244 1.4644 1.2984 0.9248 0.9480 0.9881 1.0003 1.3984 0.9693 0.9491 1.0066 0.9950 0.9659 1.0028 1.0064 0.9916 1.0081 0.9882 0.9860 0.9907 0.9299 0.9687 1.0044 0 23 1 18 2 14 3 15 4 19 4 27 5 25 5 28 6 28 7 14 7 15 7 16 8 9 8 10 8 29 8 30 9 11 9 31 9 32 10 12 10 33 10 34 11 13 11 35 11 36 12 13 12 14 13 15 16 17 16 18 17 19 17 37 18 21 19 23 20 22 20 24 20 38 20 39 21 23 21 42 22 25 22 40 22 41 24 26 24 43 24 44 25 45 25 46 26 47 26 48 26 49 27 28 27 50 27 51 -0.031069327 -1805.215471130235 -34.86492 33.37053 -1.49440 -42.71118 41.85027 -0.86091 -7.77645 7.69683 -0.07961 1.72648 4.38836