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:-3.8957,.9368,.1773;-3.3223,-1.1718,-1.7726;-1.4277,-.427,-2.4777;-3.2438,.6689,-2.8656;1.7208,1.6408,-.1947;2.5355,1.8689,1.8687;1.3017,-3.3633,.4595;2.9496,1.2032,-3.2248;-.5716,3.4496,.8299;-1.0805,2.0354,.9116;.2628,2.3966,1.5272;-.1694,4.0352,-.5025;-1.2254,4.4632,1.7394;-1.258,1.2128,-.2913;1.61,1.9464,1.1124;-2.4202,.7028,-.6816;2.9743,1.1166,-.6137;-2.6007,-.0677,-1.9557;3.194,-.2956,-.123;2.9451,1.169,-2.0769;2.1322,-1.1864,-.1134;4.447,-.6886,.32;2.3189,-2.465,.3928;4.634,-1.9862,.7711;3.5732,-2.8743,.8247;.0522,-2.9245,.8072;-1.027,-3.4551,.1187;-.1456,-2.0174,1.8422;-2.3136,-3.0787,.4726;-1.4369,-1.6389,2.1735;-2.5256,-2.1662,1.4941;-1.8464,1.8731,1.6617;.235,2.459,2.6087;-1.0451,4.4774,-.9792;.5641,4.8306,-.3615;.2502,3.3191,-1.2023;-1.5295,4.0258,2.6907;-.542,5.2861,1.955;-2.1154,4.882,1.2675;-.4063,1.0304,-.9297;3.7935,1.7556,-.2673;1.1564,-.8934,-.481;5.2705,.0137,.3264;5.6099,-2.3006,1.1152;3.7055,-3.8779,1.2065;-.8551,-4.1588,-.6849;.6968,-1.611,2.3877;-3.1546,-3.4981,-.0622;-1.5902,-.9324,2.9788;-3.5304,-1.8656,1.7557; 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 3442.0829191021 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 5.810e-06 Time for diagonalization 0.502 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.398 sec Total time needed 0.917 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:-3.8957,.9368,.1773;-3.3223,-1.1718,-1.7726;-1.4277,-.427,-2.4777;-3.2438,.6689,-2.8656;1.7208,1.6408,-.1947;2.5355,1.8689,1.8687;1.3017,-3.3633,.4594;2.9496,1.2032,-3.2248;-.5716,3.4496,.8299;-1.0805,2.0354,.9116;.2628,2.3966,1.5272;-.1694,4.0352,-.5025;-1.2254,4.4632,1.7394;-1.258,1.2128,-.2913;1.61,1.9464,1.1124;-2.4202,.7028,-.6816;2.9743,1.1166,-.6136;-2.6007,-.0677,-1.9557;3.194,-.2956,-.123;2.9451,1.169,-2.0769;2.1322,-1.1864,-.1134;4.447,-.6886,.32;2.3189,-2.465,.3928;4.634,-1.9862,.7711;3.5732,-2.8743,.8247;.0522,-2.9245,.8072;-1.027,-3.4551,.1187;-.1456,-2.0174,1.8423;-2.3136,-3.0787,.4726;-1.4369,-1.6389,2.1735;-2.5256,-2.1662,1.4941;-1.8464,1.8731,1.6617;.235,2.459,2.6087;-1.0451,4.4774,-.9792;.5641,4.8306,-.3615;.2502,3.3191,-1.2023;-1.5295,4.0258,2.6907;-.542,5.2861,1.955;-2.1154,4.882,1.2675;-.4063,1.0304,-.9297;3.7935,1.7556,-.2673;1.1564,-.8934,-.481;5.2705,.0137,.3264;5.6099,-2.3006,1.1152;3.7055,-3.8779,1.2065;-.8551,-4.1588,-.6849;.6968,-1.611,2.3877;-3.1546,-3.4981,-.0622;-1.5902,-.9324,2.9788;-3.5304,-1.8656,1.7557; 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:-3.8957,.9368,.1773;-3.3223,-1.1718,-1.7726;-1.4277,-.427,-2.4777;-3.2438,.6689,-2.8656;1.7208,1.6408,-.1947;2.5355,1.8689,1.8687;1.3017,-3.3633,.4595;2.9496,1.2032,-3.2248;-.5716,3.4496,.8299;-1.0805,2.0354,.9116;.2628,2.3966,1.5272;-.1694,4.0352,-.5025;-1.2254,4.4632,1.7394;-1.258,1.2128,-.2913;1.61,1.9464,1.1124;-2.4202,.7028,-.6816;2.9743,1.1166,-.6137;-2.6007,-.0677,-1.9557;3.194,-.2956,-.123;2.9451,1.169,-2.0769;2.1322,-1.1864,-.1134;4.447,-.6886,.32;2.3189,-2.465,.3928;4.634,-1.9862,.7711;3.5732,-2.8743,.8247;.0522,-2.9245,.8072;-1.027,-3.4551,.1187;-.1456,-2.0174,1.8422;-2.3136,-3.0787,.4726;-1.4369,-1.6389,2.1735;-2.5256,-2.1662,1.4941;-1.8464,1.8731,1.6617;.235,2.459,2.6087;-1.0451,4.4774,-.9792;.5641,4.8306,-.3615;.2502,3.3191,-1.2023;-1.5295,4.0258,2.6907;-.542,5.2861,1.955;-2.1154,4.882,1.2675;-.4063,1.0304,-.9297;3.7935,1.7556,-.2673;1.1564,-.8934,-.481;5.2705,.0137,.3264;5.6099,-2.3006,1.1152;3.7055,-3.8779,1.2065;-.8551,-4.1588,-.6849;.6968,-1.611,2.3877;-3.1546,-3.4981,-.0622;-1.5902,-.9324,2.9788;-3.5304,-1.8656,1.7557; -1928.15691005 3442.08291910 -5370.23982915 -9490.95518697 4120.71535782 -3849.84638779 1921.68947774 2.00336549 115.999948440501 115.999948440501 231.999896881001 -157.125515556422 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 -2765.7911 -675.5871 -675.4535 -675.3970 -525.5734 -524.7472 -523.5686 -392.8905 -286.8316 -283.9718 -283.2201 -282.0597 -281.9070 -281.6720 -281.1802 -281.0967 -280.9520 -280.9212 -280.8980 -280.8016 -280.2906 -280.2507 -280.1958 -280.1317 -280.0511 -279.9803 -279.9756 -279.9742 -279.8917 -279.8816 -279.8066 -261.0586 -199.8996 -199.6566 -199.6470 -39.3762 -36.8834 -36.7392 -34.4971 -33.1788 -31.8295 -28.4491 -28.3240 -27.7867 -27.4172 -26.8397 -25.6159 -24.8596 -24.3628 -24.0393 -23.8513 -23.7532 -23.2772 -23.0721 -22.5657 -21.6151 -20.8914 -20.5630 -20.2717 -19.9134 -19.4562 -19.3649 -19.3215 -19.1811 -18.4903 -18.4193 -18.3332 -17.8674 -17.1752 -16.9338 -16.7075 -16.4891 -16.3675 -16.2857 -16.0200 -15.9207 -15.8581 -15.8126 -15.4649 -15.3602 -15.0599 -15.0133 -14.8887 -14.8575 -14.6694 -14.5445 -14.4912 -14.3964 -14.2209 -14.1619 -13.9048 -13.7652 -13.7360 -13.5963 -13.4491 -13.2850 -13.1087 -13.0623 -12.9050 -12.8657 -12.6448 -12.5965 -12.4733 -12.3939 -12.2187 -11.8852 -11.8517 -11.7241 -11.6357 -11.0569 -10.8041 -9.9217 -9.6417 -9.5715 -9.5134 -8.6321 0.7650 0.9173 1.1615 1.5639 1.7089 1.8619 2.3149 2.6487 2.7743 2.8497 3.0893 3.3476 3.5951 3.7379 3.7522 3.9612 4.1627 4.2802 4.4622 4.5540 4.6481 4.8597 4.9260 4.9948 5.1508 5.2810 5.3637 5.4777 5.8103 5.8448 5.8922 5.9473 6.0120 6.0982 6.1446 6.2905 6.4138 6.5032 6.5519 6.7615 6.8288 7.0034 7.0555 7.3212 7.3454 7.4562 7.5168 7.5892 7.6511 7.7565 7.9439 7.9552 8.0500 8.1315 8.2081 8.2844 8.3761 8.5449 8.5935 8.7116 8.7984 9.0373 9.1582 9.2026 9.2719 9.3382 9.4003 9.4806 9.7245 9.7624 9.8700 9.9530 10.0183 10.2289 10.3095 10.3914 10.4668 10.6655 10.7703 10.8982 10.9418 11.1030 11.1783 11.2378 11.2803 11.3714 11.4378 11.5814 11.6660 11.7045 11.7821 11.8326 11.9452 12.2794 12.3477 12.4089 12.5138 12.5693 12.6321 12.7699 12.8486 12.9383 12.9616 13.0396 13.0962 13.1805 13.2622 13.3915 13.4409 13.6101 13.7039 13.7820 13.8469 13.9152 13.9554 14.0364 14.1761 14.3564 14.3959 14.4676 14.5333 14.5726 14.6253 14.7456 14.8354 14.9256 15.0107 15.2017 15.2619 15.3996 15.4227 15.5770 15.6311 15.7663 15.8926 15.9886 16.0413 16.1399 16.2104 16.3042 16.4161 16.4852 16.6324 16.7165 16.7564 17.0091 17.0364 17.2374 17.2840 17.4029 17.5813 17.6927 17.7413 17.8424 18.0272 18.1352 18.1971 18.2911 18.5116 18.7341 18.9105 18.9904 19.1224 19.2800 19.3666 19.4987 19.5501 19.7479 19.8477 20.1362 20.1752 20.2899 20.4071 20.5157 20.6373 20.6582 20.8421 21.0098 21.1640 21.2838 21.4096 21.5973 21.6295 21.7045 21.8026 21.9565 22.1209 22.2658 22.3518 22.4059 22.5220 22.5431 22.7873 22.9063 23.0393 23.2784 23.4233 23.5674 23.6151 23.6353 23.7562 23.8705 23.9556 24.1907 24.2525 24.3438 24.4862 24.5785 24.8119 24.8562 24.9299 24.9859 25.1240 25.2119 25.3598 25.5381 25.8029 25.9654 26.1430 26.1905 26.3803 26.5488 26.7161 26.7987 26.9470 27.1108 27.2356 27.3230 27.3725 27.4277 27.5377 27.8425 27.8796 27.9602 28.0949 28.1889 28.3280 28.4728 28.4785 28.6070 28.8098 28.9224 29.0677 29.1135 29.2277 29.5225 29.6674 29.7513 29.7760 30.0742 30.2397 30.2912 30.4826 30.6014 30.8782 31.0326 31.0620 31.3056 31.4508 31.5168 31.6067 31.6983 31.8006 31.9099 32.1679 32.1913 32.3558 32.4684 32.6880 32.6982 32.8251 32.8962 33.0639 33.1205 33.2349 33.5202 33.5584 33.8133 33.8503 33.9251 34.1034 34.2265 34.4537 34.5258 34.7184 34.7331 34.9459 35.1163 35.2903 35.3283 35.6035 35.7401 35.8461 36.0639 36.1795 36.2587 36.3739 36.4455 36.5811 36.7557 36.9124 37.0099 37.2731 37.3498 37.4511 37.5335 37.6736 37.7777 37.8591 37.9331 38.0165 38.1884 38.2668 38.3044 38.3938 38.4959 38.8113 38.8919 38.9449 39.0091 39.1537 39.3581 39.4311 39.6092 39.7090 39.8747 39.9317 40.1676 40.3244 40.4828 40.6192 40.7219 40.8234 41.0224 41.0489 41.1431 41.3048 41.3281 41.6131 41.6687 41.8956 42.0024 42.2051 42.3801 42.5615 42.7223 42.8175 42.9118 42.9945 43.3671 43.4113 43.5592 43.6724 43.8841 44.0056 44.0810 44.1974 44.2968 44.4772 44.5870 44.8452 45.1108 45.2479 45.3631 45.5042 45.5789 45.6682 45.8014 46.0675 46.1449 46.2042 46.3556 46.5278 46.6841 46.8709 47.0008 47.1884 47.3289 47.4519 47.6632 47.7705 47.8456 47.9821 48.3101 48.4644 48.7161 48.7628 48.8699 49.1134 49.2254 49.3767 49.5457 49.6596 49.8894 49.9801 50.3049 50.5231 50.5644 50.6975 50.9368 51.1654 51.2757 51.4151 51.5277 51.6376 51.9040 52.0081 52.2147 52.3276 52.5063 52.7853 52.9762 53.1265 53.1733 53.3468 53.5199 53.6789 53.7779 54.1133 54.3428 54.6927 54.7139 54.9437 55.0676 55.2022 55.5303 55.7490 55.8077 56.0254 56.1582 56.2974 56.3253 56.5428 56.7746 56.8639 56.9752 57.3845 57.4312 57.6283 57.7644 58.0993 58.2267 58.4352 58.4695 58.8577 59.1162 59.1781 59.4201 59.6205 59.6640 59.7948 59.9441 60.1418 60.2452 60.5104 60.6277 60.7469 61.1862 61.3203 61.5895 61.8466 62.2400 62.5100 62.7852 63.0133 63.0499 63.3191 63.4569 63.7124 63.7443 63.9721 64.2386 64.3123 64.4909 64.6827 64.7290 65.0454 65.2706 65.4449 65.6255 65.7181 65.8266 65.9214 66.3824 66.5185 66.5978 66.7435 66.9605 67.2088 67.3579 67.4999 67.5843 67.7568 67.8287 67.9634 68.0605 68.3507 68.4124 68.8945 69.0280 69.0882 69.5064 69.5763 69.9187 70.0780 70.3606 70.6331 70.6687 71.0410 71.1914 71.3719 71.5187 71.7072 71.8945 72.2290 72.4809 72.6096 72.6949 73.1120 73.2301 73.6286 73.8208 74.1371 74.3101 74.4636 74.6288 74.7432 74.9143 75.1429 75.3078 75.4248 75.5947 75.8593 76.0513 76.1791 76.4209 76.4365 76.5405 76.6707 76.8767 76.8966 77.0464 77.1630 77.4367 77.7480 77.9717 78.1098 78.4060 78.5803 78.6460 78.7103 78.8037 78.9293 78.9800 79.0379 79.2341 79.3158 79.4970 79.6572 79.6805 79.9222 80.0230 80.1714 80.2007 80.4058 80.5663 80.7033 80.9594 81.0289 81.1457 81.5128 81.6037 81.8115 81.9433 82.0325 82.1414 82.2122 82.2741 82.5014 82.5485 82.6905 82.8214 82.8565 82.8796 83.1111 83.3287 83.4635 83.6008 83.8173 83.9553 84.1754 84.4001 84.4826 84.5383 84.6354 84.7299 84.8160 84.9633 85.0114 85.4028 85.4924 85.5251 85.6455 85.7471 85.8344 85.9551 86.0181 86.0928 86.1928 86.2845 86.3542 86.5856 86.6920 86.7701 86.9615 87.0360 87.1317 87.3128 87.4000 87.5388 87.7232 87.9621 88.0212 88.0848 88.1613 88.4322 88.5498 88.6391 88.7368 88.7806 88.8643 89.1328 89.2563 89.3553 89.3896 89.5416 89.6992 89.7608 89.9599 90.0582 90.1831 90.2725 90.3129 90.5175 90.5388 90.6375 90.7748 91.0037 91.0730 91.1377 91.3438 91.4616 91.5309 91.7737 91.9432 92.0955 92.2996 92.3130 92.4382 92.6425 92.6906 92.7960 92.8646 92.9754 93.0572 93.1499 93.2005 93.3184 93.3430 93.4952 93.6591 93.7567 93.8093 93.9420 94.0610 94.2868 94.3883 94.5590 94.6382 94.7225 94.9997 95.0696 95.1897 95.3185 95.4136 95.6628 95.7362 95.8128 95.9458 95.9832 96.1621 96.3046 96.5119 96.6488 96.6908 96.8299 96.8849 97.1407 97.2242 97.3927 97.4381 97.5744 97.7445 97.8410 98.0045 98.1390 98.1736 98.4617 98.5495 98.7354 98.9472 98.9572 99.1550 99.4249 99.4832 99.7320 99.8218 99.9015 100.1715 100.3478 100.5746 100.6414 100.8374 100.9708 101.1458 101.3216 101.6426 101.7480 101.8713 102.2922 102.3522 102.5040 102.6628 102.8256 102.9336 103.1019 103.4591 103.7408 103.8029 104.1024 104.2893 104.5259 104.6854 104.8090 104.9190 105.0534 105.2183 105.2834 105.5028 105.5925 105.6122 105.6967 105.8915 105.9270 106.1140 106.2798 106.3646 106.5329 106.6252 106.7255 107.0333 107.0991 107.2736 107.4926 107.6862 107.7825 108.0674 108.2224 108.4931 108.5312 108.7065 108.8063 108.9968 109.2678 109.2909 109.4293 109.5148 109.7215 109.8248 109.9000 109.9960 110.1279 110.2382 110.4878 110.5382 110.5927 110.7951 110.8530 110.9571 111.1191 111.2505 111.5814 111.7352 111.7690 112.0182 112.0654 112.1921 112.5323 112.6162 112.6630 113.0336 113.1182 113.2792 113.4607 113.5694 113.9035 114.0064 114.1663 114.3677 114.4935 114.5681 114.7628 114.9956 115.0455 115.2888 115.4087 115.5690 115.7066 115.7749 116.0015 116.3134 116.4253 116.4893 116.5634 116.6806 116.8556 117.0010 117.1565 117.2947 117.5684 117.7080 117.7809 117.8732 118.0782 118.1746 118.3407 118.4731 118.5435 118.6614 118.7620 118.8794 119.1187 119.2953 119.4037 119.6692 119.7641 119.8702 120.0619 120.2065 120.2445 120.4416 120.6038 120.7382 120.9334 121.1122 121.2107 121.4527 121.6488 121.8896 122.1391 122.2096 122.2787 122.6857 122.8909 123.3042 123.4072 123.7082 124.0048 124.3481 124.5181 124.6687 124.9986 125.3052 125.6357 125.8346 125.9803 126.2664 126.3708 126.7448 127.0757 127.1517 127.4564 127.7591 128.1993 128.3131 128.6689 128.8003 128.9355 129.0488 129.3371 129.4180 129.5377 129.7491 129.9070 129.9412 130.4070 130.6183 130.8403 131.0223 131.2870 131.3965 131.5972 131.8398 131.8735 132.0121 132.2781 132.4972 132.7471 132.8738 133.1008 133.5090 133.6391 133.7503 133.8940 134.2880 134.7549 134.7942 134.9511 135.4119 135.6691 135.8914 136.2422 136.5317 136.7424 137.0935 137.8130 137.8530 138.0963 138.1439 138.4497 138.8056 138.9158 138.9992 139.4684 139.7062 139.9316 140.4857 140.6034 140.8039 141.2868 141.5039 141.5401 142.0758 142.3664 143.0633 143.2831 143.8411 143.9959 144.2251 144.4198 144.5363 144.6087 144.7431 144.9585 145.0540 145.1531 145.5073 145.7329 146.1317 146.4420 146.5088 146.8611 147.2664 147.6241 147.8178 148.0788 148.1265 148.2161 148.6228 148.7617 148.9925 149.0388 149.3493 149.5649 149.8781 150.2764 150.3159 150.7208 150.9817 151.4114 151.7031 152.2686 152.5115 152.7080 152.9287 153.0489 153.3187 153.9754 154.3163 154.8712 155.3220 155.4105 155.9038 156.0356 156.2721 157.0393 157.0842 157.4374 157.6406 158.0476 158.2722 158.7737 159.1064 159.2582 159.9739 160.3415 160.8238 161.0949 161.6042 161.8654 162.2698 162.4933 163.4569 163.4796 164.2891 166.2668 166.8469 167.9226 169.6377 170.1096 171.6711 172.3481 172.7743 173.2930 174.8741 175.9762 177.4454 177.5827 178.9908 180.8054 182.0150 185.5983 187.2638 187.5119 187.5750 187.9267 188.2212 188.5280 188.6421 188.8260 188.9656 188.9845 189.0528 189.2333 189.5030 189.7510 192.2689 192.3631 192.5948 192.8582 193.0949 194.1837 194.7290 195.3079 195.7329 196.6826 196.7526 198.7746 202.1932 202.9711 203.2812 204.0682 206.1878 206.3223 207.0646 207.2028 209.5320 209.5510 222.2335 223.6806 224.4366 227.1139 228.0376 228.7019 229.0054 229.4141 232.8246 233.4572 235.3819 239.1015 241.1717 241.6891 244.3561 245.9672 247.5277 248.1250 250.1094 252.1803 296.4992 298.3204 313.2333 616.5171 620.9056 621.7997 625.5598 625.8415 630.8957 631.9869 632.4268 632.8612 634.0832 634.6797 635.8527 636.6179 636.6916 637.4953 637.9485 639.7324 642.3445 643.2083 647.1166 650.1537 657.5510 658.6886 711.8973 877.5451 1199.3781 1212.2005 1215.0297 1558.7622 1561.3427 1562.9875 -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 -0.066189 -0.163561 -0.168827 -0.160208 -0.284186 -0.330221 -0.298549 0.010732 0.090381 0.022054 -0.111430 -0.244661 -0.237110 -0.195952 0.329855 -0.051277 0.252346 0.520303 0.120023 -0.255602 -0.189845 -0.169219 0.200593 -0.080415 -0.197776 0.252414 -0.196697 -0.162755 -0.102437 -0.121135 -0.153607 0.084031 0.098248 0.096098 0.098443 0.096948 0.075375 0.095788 0.094175 0.141296 0.129873 0.125042 0.105670 0.127679 0.130391 0.126343 0.133544 0.129733 0.123472 0.130807 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 17.0662 9.1636 9.1688 9.1602 8.2842 8.3302 8.2985 6.9893 5.9096 5.9779 6.1114 6.2447 6.2371 6.1960 5.6701 6.0513 5.7477 5.4797 5.8800 6.2556 6.1898 6.1692 5.7994 6.0804 6.1978 5.7476 6.1967 6.1628 6.1024 6.1211 6.1536 0.9160 0.9018 0.9039 0.9016 0.9031 0.9246 0.9042 0.9058 0.8587 0.8701 0.8750 0.8943 0.8723 0.8696 0.8737 0.8665 0.8703 0.8765 0.8692 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 -0.0662 -0.1636 -0.1688 -0.1602 -0.2842 -0.3302 -0.2985 0.0107 0.0904 0.0221 -0.1114 -0.2447 -0.2371 -0.1960 0.3299 -0.0513 0.2523 0.5203 0.1200 -0.2556 -0.1898 -0.1692 0.2006 -0.0804 -0.1978 0.2524 -0.1967 -0.1628 -0.1024 -0.1211 -0.1536 0.0840 0.0982 0.0961 0.0984 0.0969 0.0754 0.0958 0.0942 0.1413 0.1299 0.1250 0.1057 0.1277 0.1304 0.1263 0.1335 0.1297 0.1235 0.1308 1.2701 1.1386 1.1322 1.1445 2.0835 2.1744 2.1202 3.1097 3.8030 3.7102 3.9140 3.9208 3.9190 3.8521 4.2222 4.0095 3.9016 4.4546 3.5457 3.9947 3.9701 4.0549 3.9001 3.9468 4.0416 3.7855 4.0338 3.8958 3.8942 3.8843 3.8874 1.0315 1.0246 1.0043 1.0019 1.0093 1.0090 1.0035 1.0046 1.0161 1.0150 1.0169 1.0130 0.9995 1.0107 1.0133 1.0062 1.0012 1.0007 1.0083 1.2701 1.1386 1.1322 1.1445 2.0835 2.1744 2.1202 3.1097 3.8030 3.7102 3.9140 3.9208 3.9190 3.8521 4.2222 4.0095 3.9016 4.4546 3.5457 3.9947 3.9701 4.0549 3.9001 3.9468 4.0416 3.7855 4.0338 3.8958 3.8942 3.8843 3.8874 1.0315 1.0246 1.0043 1.0019 1.0093 1.0090 1.0035 1.0046 1.0161 1.0150 1.0169 1.0130 0.9995 1.0107 1.0133 1.0062 1.0012 1.0007 1.0083 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.1296 1.1272 1.1030 1.1475 1.0950 0.8982 2.0020 0.9894 0.9440 3.0450 0.8611 0.9265 0.9618 0.9541 0.8838 0.9591 1.0098 1.0268 1.0236 0.9891 0.9905 0.9816 0.9799 0.9906 0.9939 1.8300 0.9629 1.0079 0.8870 0.9482 1.0031 1.3162 1.3951 1.4069 0.9595 1.4555 0.9637 1.4292 1.4420 0.9738 0.9666 1.4284 1.3541 1.4300 0.9778 1.4135 0.9701 1.3954 0.9860 1.3875 0.9862 0.9917 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 -0.032914404 -1928.189824453189 17.67718 -17.71942 -0.04224 12.84428 -12.13301 0.71127 20.94730 -19.33520 1.61210 1.76254 4.48001