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:3.3741,-.9161,-2.1225;5.0377,.6784,-.2376;5.5603,-1.3915,-.0334;4.505,-.3933,1.5533;-2.4321,-1.4305,1.1975;-1.933,-1.2303,-.9704;-2.123,3.5491,.5809;-4.946,-2.7808,-.6347;.4505,-3.075,-.0281;.9503,-1.6807,-.3034;-.2401,-1.8811,.6033;-.1951,-3.8273,-1.1646;1.2243,-3.9664,.9117;2.2155,-1.2283,.2878;-1.5812,-1.4726,.1534;3.3023,-.8937,-.3969;-3.7723,-1.0565,.9452;4.6009,-.4968,.229;-3.9333,.3766,.4733;-4.4053,-2.0182,.0323;-2.951,1.306,.78;-5.0766,.7705,-.2118;-3.085,2.6135,.3328;-5.2197,2.0932,-.6025;-4.2201,3.0197,-.3513;-.8029,3.2196,.4234;.102,3.828,1.2817;-.3626,2.3564,-.5745;1.4581,3.5689,1.1406;.9953,2.099,-.6947;1.9111,2.6973,.1604;.7288,-1.3066,-1.2969;-.0652,-1.7619,1.667;.5553,-4.4453,-1.6608;-.9765,-4.4942,-.795;-.6322,-3.1798,-1.9214;.5863,-4.776,1.2703;2.0736,-4.4187,.3964;1.6047,-3.4389,1.7858;2.2754,-1.1955,1.3692;-4.273,-1.1744,1.9109;-2.0714,1.0252,1.3462;-5.8573,.0589,-.4496;-6.1108,2.4001,-1.134;-4.316,4.0451,-.6851;-.2541,4.5009,2.0519;-1.06,1.8875,-1.2573;2.1613,4.0456,1.8115;1.336,1.4294,-1.474;2.9675,2.4888,.0595; 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 3305.8537145572 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 6.469e-06 Time for diagonalization 0.368 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.298 sec Total time needed 0.684 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:3.3741,-.9161,-2.1225;5.0377,.6784,-.2376;5.5603,-1.3915,-.0334;4.505,-.3933,1.5533;-2.4321,-1.4305,1.1975;-1.933,-1.2303,-.9704;-2.123,3.5491,.5809;-4.946,-2.7808,-.6347;.4505,-3.075,-.0281;.9503,-1.6807,-.3034;-.2401,-1.8811,.6033;-.1951,-3.8273,-1.1646;1.2243,-3.9664,.9117;2.2155,-1.2283,.2878;-1.5812,-1.4726,.1534;3.3023,-.8937,-.3969;-3.7723,-1.0565,.9452;4.6009,-.4968,.229;-3.9333,.3766,.4733;-4.4053,-2.0182,.0323;-2.951,1.306,.78;-5.0766,.7705,-.2118;-3.085,2.6135,.3328;-5.2197,2.0932,-.6025;-4.2201,3.0197,-.3513;-.8029,3.2196,.4234;.102,3.828,1.2817;-.3626,2.3564,-.5745;1.4581,3.5689,1.1406;.9953,2.099,-.6947;1.9111,2.6973,.1604;.7288,-1.3066,-1.2969;-.0652,-1.7619,1.667;.5553,-4.4453,-1.6608;-.9765,-4.4942,-.795;-.6322,-3.1798,-1.9214;.5863,-4.776,1.2703;2.0736,-4.4187,.3964;1.6047,-3.4389,1.7858;2.2754,-1.1955,1.3692;-4.273,-1.1744,1.9109;-2.0714,1.0252,1.3462;-5.8573,.0589,-.4496;-6.1108,2.4001,-1.134;-4.316,4.0451,-.6851;-.2541,4.5009,2.0519;-1.06,1.8875,-1.2573;2.1613,4.0456,1.8115;1.336,1.4294,-1.474;2.9675,2.4888,.0595; 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 cpcm smd true smdsolvent "1-OCTANOL" 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:3.3741,-.9161,-2.1225;5.0377,.6784,-.2376;5.5603,-1.3915,-.0334;4.505,-.3933,1.5533;-2.4321,-1.4305,1.1975;-1.933,-1.2303,-.9704;-2.123,3.5491,.5809;-4.946,-2.7808,-.6347;.4505,-3.075,-.0281;.9503,-1.6807,-.3034;-.2401,-1.8811,.6033;-.1951,-3.8273,-1.1646;1.2243,-3.9664,.9117;2.2155,-1.2283,.2878;-1.5812,-1.4726,.1534;3.3023,-.8937,-.3969;-3.7723,-1.0565,.9452;4.6009,-.4968,.229;-3.9333,.3766,.4733;-4.4053,-2.0182,.0323;-2.951,1.306,.78;-5.0766,.7705,-.2118;-3.085,2.6135,.3328;-5.2197,2.0932,-.6025;-4.2201,3.0197,-.3513;-.8029,3.2196,.4234;.102,3.828,1.2817;-.3626,2.3564,-.5745;1.4581,3.5689,1.1406;.9953,2.099,-.6947;1.9111,2.6973,.1604;.7288,-1.3066,-1.2969;-.0652,-1.7619,1.667;.5553,-4.4453,-1.6608;-.9765,-4.4942,-.795;-.6322,-3.1798,-1.9214;.5863,-4.776,1.2703;2.0736,-4.4187,.3964;1.6047,-3.4389,1.7858;2.2754,-1.1955,1.3692;-4.273,-1.1744,1.9109;-2.0714,1.0252,1.3462;-5.8573,.0589,-.4496;-6.1108,2.4001,-1.134;-4.316,4.0451,-.6851;-.2541,4.5009,2.0519;-1.06,1.8875,-1.2573;2.1613,4.0456,1.8115;1.336,1.4294,-1.474;2.9675,2.4888,.0595; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2891 GEPOL Volume 2991.8700 GEPOL Surface-area 1650.6829 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.6s -1928.18677314 3305.85371456 -5234.04048769 -9218.46471611 3984.42422842 -0.03389123 -3849.79963396 1921.61286083 2.00342104 116.000117933828 116.000117933828 232.000235867655 -157.117720209798 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 -2765.6798 -675.6806 -675.5444 -675.5251 -525.3217 -524.6606 -523.5128 -392.8987 -286.8876 -283.7971 -282.9370 -281.8607 -281.6827 -281.5748 -281.2618 -280.7498 -280.7354 -280.6534 -280.4555 -280.4138 -279.9925 -279.9879 -279.8955 -279.8466 -279.8374 -279.8254 -279.7736 -279.7314 -279.6266 -279.3752 -279.3024 -260.9458 -199.7863 -199.5435 -199.5354 -39.4594 -36.9666 -36.8268 -34.2818 -33.0216 -31.6807 -28.4474 -28.0859 -27.5516 -27.1919 -26.6681 -25.3847 -24.6496 -24.1493 -23.7607 -23.6503 -23.4854 -23.1312 -22.8089 -22.0136 -21.4595 -20.6568 -20.3864 -19.9330 -19.6586 -19.5192 -19.4201 -19.3106 -18.9517 -18.2929 -18.1479 -18.0294 -17.0858 -16.9839 -16.8383 -16.4111 -16.2015 -16.1192 -16.0538 -16.0314 -15.8218 -15.8025 -15.6241 -15.3416 -15.0564 -14.9894 -14.7924 -14.7554 -14.5997 -14.5406 -14.3352 -14.3049 -14.2903 -14.0190 -13.8447 -13.7483 -13.6816 -13.5107 -13.3585 -13.1063 -13.0309 -12.9876 -12.8426 -12.7509 -12.7296 -12.4744 -12.4149 -12.2714 -12.1160 -11.9653 -11.7368 -11.6585 -11.5977 -11.3039 -10.9204 -10.4495 -9.6903 -9.5111 -9.4056 -9.3297 -8.4841 1.0903 1.2496 1.4047 1.7305 1.8502 2.0144 2.2685 2.7869 2.9034 3.2895 3.6414 3.7373 3.8671 4.1599 4.3030 4.4697 4.5652 4.6553 4.7788 4.8153 5.0493 5.0846 5.2957 5.3641 5.5015 5.6530 5.7411 5.8885 6.0355 6.0823 6.1197 6.1435 6.2641 6.4240 6.5530 6.5986 6.6284 6.8268 7.0097 7.0560 7.0755 7.2284 7.2644 7.4037 7.5213 7.6362 7.7307 7.8147 7.9741 8.0406 8.1795 8.1806 8.2091 8.4079 8.4493 8.4871 8.5371 8.5916 8.7408 8.8932 8.9684 9.1456 9.2224 9.3454 9.4207 9.4907 9.5317 9.6713 9.7879 9.8770 9.9716 10.0679 10.2088 10.2985 10.4151 10.5558 10.6981 10.7766 10.8211 10.9847 11.0741 11.2781 11.3468 11.4908 11.5281 11.5678 11.6732 11.7820 11.8489 11.9900 12.0074 12.0952 12.1197 12.2236 12.3274 12.4725 12.5589 12.6296 12.6714 12.7735 12.8513 12.8982 12.9853 13.0920 13.1757 13.4139 13.4290 13.5654 13.6967 13.7636 13.8266 13.9335 14.0003 14.1349 14.2233 14.2571 14.3150 14.5424 14.5889 14.6515 14.7357 14.7889 14.9128 14.9961 15.0522 15.1810 15.2310 15.3685 15.4067 15.4289 15.5717 15.7636 15.8869 15.9234 16.1186 16.1721 16.2223 16.2902 16.3951 16.4634 16.5149 16.6163 16.7449 16.8824 16.9281 17.0587 17.2443 17.2448 17.4088 17.4504 17.6665 17.7213 17.8710 17.9971 18.2103 18.2927 18.3230 18.4387 18.5252 18.7092 18.9534 19.0218 19.0911 19.3179 19.4747 19.6352 19.7007 19.8033 19.9797 20.1176 20.2357 20.4530 20.4894 20.6422 20.6837 20.8302 20.9413 21.1454 21.1762 21.2736 21.3817 21.5447 21.6890 21.7203 21.7434 21.8972 21.9519 22.0272 22.2671 22.4545 22.5985 22.6761 22.8644 22.9551 23.0637 23.2176 23.4043 23.5678 23.7199 23.7786 23.8343 24.0193 24.0873 24.1592 24.2135 24.3746 24.4273 24.6358 24.8072 24.9496 25.0060 25.0859 25.1836 25.2645 25.4964 25.7014 25.8106 25.9413 26.0589 26.2049 26.3003 26.3736 26.4813 26.7822 26.8818 26.9123 27.1100 27.2025 27.5055 27.5357 27.5846 27.7962 27.8755 27.9256 28.1981 28.2467 28.4407 28.4942 28.5955 28.6223 28.8541 29.0477 29.1366 29.2450 29.4091 29.4847 29.6809 29.7483 29.9537 30.1251 30.1556 30.3087 30.5153 30.6635 30.7642 30.8435 30.9393 31.0560 31.1895 31.5459 31.6192 31.7756 31.9829 32.0051 32.1814 32.2803 32.4435 32.5234 32.6469 32.7285 32.8646 33.0053 33.0538 33.0725 33.3675 33.4007 33.6497 33.7987 33.9177 34.0996 34.1325 34.4550 34.5252 34.7803 34.8054 35.1699 35.3390 35.4037 35.6392 35.7259 35.8201 35.8967 36.0023 36.2382 36.2923 36.3576 36.5599 36.6353 36.6506 36.7963 36.9102 37.0368 37.1726 37.3032 37.3885 37.4707 37.6759 37.7278 37.9707 38.0102 38.1001 38.1742 38.2336 38.3796 38.6360 38.6497 38.9133 38.9328 38.9893 39.1966 39.3158 39.4911 39.6523 39.7714 39.8622 40.0044 40.0876 40.1194 40.2284 40.4257 40.6565 40.7659 40.8912 41.1909 41.2160 41.3284 41.4778 41.5596 41.9443 42.0595 42.1879 42.3680 42.5871 42.6359 42.8342 42.9248 42.9567 42.9987 43.2234 43.3538 43.4852 43.7912 43.8242 43.9862 44.0501 44.3107 44.3886 44.5401 44.6920 44.8026 44.8333 45.1616 45.2202 45.4565 45.4913 45.5267 45.7318 45.8382 45.9848 46.2095 46.2657 46.4011 46.5204 46.8104 46.8792 46.9636 47.1039 47.3713 47.5519 47.6525 47.7368 47.9875 48.0323 48.3515 48.4783 48.6394 48.7290 48.8866 48.9878 49.2945 49.3915 49.4568 49.6135 49.8163 49.8386 50.0986 50.2255 50.5498 50.7128 50.8643 50.8961 51.2492 51.3955 51.4193 51.5716 51.6426 52.0364 52.2242 52.5872 52.7441 52.8079 52.8391 52.9071 53.1249 53.3385 53.4984 53.7427 53.8679 54.0337 54.2094 54.4468 54.6098 54.9007 55.1869 55.2483 55.4262 55.4893 55.7914 56.0651 56.1668 56.3586 56.5228 56.6744 56.7603 57.1188 57.4011 57.5292 57.5559 57.8107 58.0386 58.0820 58.2670 58.4253 58.8585 59.0102 59.0319 59.3234 59.5004 59.6245 59.8176 59.9424 60.1090 60.2756 60.3540 60.4431 60.7757 60.8394 61.1539 61.4180 61.5150 61.7010 61.9981 62.0279 62.5406 62.7025 62.8288 63.0260 63.3323 63.6633 63.7417 63.7519 64.1483 64.3672 64.4127 64.6764 64.8878 65.0795 65.3134 65.3266 65.4996 65.6347 65.9701 66.0726 66.4234 66.5308 66.7847 66.8000 66.9858 67.2162 67.2426 67.3474 67.6049 67.6271 67.7477 67.9202 68.1224 68.5652 68.6512 68.8119 69.1095 69.4518 69.4926 69.9159 69.9894 70.1330 70.2866 70.5467 70.9081 71.1223 71.3759 71.4211 71.8459 72.1703 72.3053 72.4324 72.5829 72.6857 72.9322 73.1258 73.8775 73.9635 74.0695 74.1512 74.3524 74.4525 74.5150 74.6359 74.9188 75.2104 75.2513 75.2916 75.6093 75.6629 75.8075 76.6262 76.6667 76.7986 76.9472 77.0886 77.3023 77.4312 77.5259 77.7089 77.9599 77.9956 78.1179 78.2165 78.3507 78.5085 78.6321 78.7028 78.9558 79.1129 79.1384 79.1937 79.3775 79.4698 79.5962 79.6768 79.7745 80.0543 80.1862 80.3023 80.3618 80.5873 80.6688 80.8605 81.0035 81.0934 81.4510 81.4915 81.6772 81.7363 81.8742 81.9865 82.1893 82.3565 82.3843 82.4548 82.5894 82.7815 83.1043 83.2964 83.3857 83.4505 83.5841 83.7083 83.8450 84.0121 84.2388 84.3941 84.4957 84.6438 84.8414 84.8605 84.9181 85.0021 85.1095 85.2846 85.3630 85.4086 85.5722 85.7497 85.8142 85.8801 85.9715 86.0486 86.0920 86.3664 86.4588 86.6617 86.6966 86.7887 86.8439 87.1261 87.1614 87.2646 87.3138 87.6716 87.6965 87.7392 87.9573 88.1060 88.1136 88.2540 88.4376 88.6530 88.7190 88.8563 88.9246 89.0359 89.1358 89.1664 89.3603 89.4955 89.5838 89.6795 89.7403 89.9388 90.0664 90.1864 90.3030 90.3548 90.4544 90.6095 90.6541 90.7585 90.9660 91.0523 91.5426 91.6048 91.7020 91.7302 91.9765 92.2145 92.2411 92.2922 92.4726 92.6151 92.7871 92.8801 92.9340 93.0562 93.1269 93.2760 93.3487 93.3820 93.5260 93.6705 93.8899 94.0337 94.0853 94.1783 94.2020 94.2738 94.5433 94.5968 94.6826 94.7683 94.8044 95.0639 95.1773 95.2327 95.4552 95.5434 95.7467 95.7855 95.9268 96.0576 96.3224 96.5941 96.6963 96.8347 96.9328 97.0491 97.2683 97.3334 97.4402 97.4868 97.6065 97.7993 97.8195 97.8452 97.9912 98.2002 98.2708 98.5211 98.6139 98.8220 99.0148 99.0794 99.2049 99.5369 99.6863 99.7052 99.8121 99.9027 100.2159 100.3115 100.4998 100.6180 100.9784 101.0884 101.3570 101.4788 101.6312 101.9187 102.0581 102.2510 102.4171 102.6928 103.0124 103.1665 103.2274 103.4189 103.6088 103.7512 103.9034 104.1228 104.4870 104.6338 104.6740 104.8650 104.9582 105.0718 105.1678 105.4095 105.5586 105.5894 105.6369 105.8043 106.0095 106.0942 106.1558 106.2613 106.3386 106.5918 106.7534 106.8664 107.0954 107.1674 107.3928 107.4533 107.4777 107.5638 107.8667 108.0458 108.2290 108.3390 108.6572 108.7976 109.0424 109.1423 109.2319 109.3166 109.5934 109.6660 109.8196 110.0283 110.0390 110.2047 110.3179 110.4296 110.5593 110.5957 110.8581 111.1548 111.2759 111.3928 111.4574 111.4672 111.6935 111.9116 112.0130 112.1537 112.2432 112.4373 112.5391 112.7746 113.0113 113.1683 113.3060 113.5137 113.6096 113.6711 113.8392 113.8846 114.3390 114.5389 114.5779 114.7494 114.7990 114.9810 115.3219 115.5246 115.5485 115.7214 115.9783 116.1049 116.2391 116.3133 116.4781 116.7533 116.8143 116.8332 117.0126 117.1998 117.2526 117.4215 117.5580 117.7249 118.0405 118.1602 118.1898 118.4410 118.4948 118.6731 118.7903 118.8478 118.9633 119.0310 119.1449 119.3502 119.5260 119.7940 119.8673 119.8955 120.0767 120.3767 120.4373 120.7272 121.0181 121.0471 121.2511 121.3388 121.5372 121.7577 121.8731 122.4399 122.4914 122.7969 122.9068 122.9752 123.3584 123.5301 123.6403 124.1135 124.3557 124.4976 124.6309 124.7899 125.4571 125.4794 125.9175 126.1229 126.3855 126.4914 126.6363 126.7071 127.0203 127.0953 127.5553 127.9400 128.2639 128.4548 128.7125 128.9504 129.2594 129.3619 129.5152 129.7649 129.8081 129.9500 130.0160 130.4089 130.7109 130.7386 130.9928 131.1001 131.2086 131.5564 131.7205 131.9530 132.1111 132.3703 132.5342 132.6391 132.9273 133.0209 133.4964 133.5832 133.9530 134.1346 134.3609 134.8495 135.0614 135.2583 135.4561 135.7401 135.8896 136.1327 136.7318 136.8636 137.2918 137.8533 138.1170 138.4792 138.6149 138.8728 139.0094 139.1504 139.4611 139.5915 139.7786 140.0666 140.3619 140.4547 140.8303 141.1592 141.3240 141.4795 142.3910 142.4468 142.8411 143.2113 143.3812 143.8085 144.0479 144.4606 144.5177 144.7561 144.8870 144.9828 145.0790 145.2963 145.4877 145.6144 146.0812 146.1701 146.5779 146.8736 147.0152 147.2141 147.5838 147.7185 147.8553 148.1128 148.2861 148.3723 148.5251 148.7623 149.3733 149.6408 149.6704 150.3468 150.4582 150.6402 150.8556 150.9372 151.3273 151.6759 152.0555 152.6302 152.7497 152.9718 153.1946 153.5789 153.9834 154.4084 154.6391 155.1916 155.4109 155.9250 156.1836 156.9908 157.2195 157.2263 157.5397 157.6573 157.7256 158.6702 159.0908 159.3638 159.6415 160.0030 160.1580 160.5296 160.9833 161.3352 161.7974 161.8550 162.8895 163.5453 163.7895 164.3101 165.4760 166.3758 168.1992 169.9407 170.5022 171.3981 172.3681 173.0987 173.3621 174.7107 177.0252 177.8099 178.7017 180.3475 180.8118 182.9353 185.4489 186.0622 187.3017 187.4073 187.5533 188.3671 188.4824 188.6933 188.7922 188.8512 188.8842 189.0276 189.3570 189.4111 189.6106 192.0991 192.2167 192.2848 192.3176 192.9931 193.8307 194.4335 195.0207 195.6997 196.5628 196.6885 199.4759 202.2381 202.8181 202.9117 204.0047 204.9572 206.4275 206.4639 208.1122 209.1748 209.4160 222.2937 223.7563 224.1814 227.0927 227.7537 228.5028 228.7311 229.2798 232.5518 233.1880 235.1142 238.7344 240.7902 241.4619 244.2599 245.6983 247.1628 247.5501 249.8925 251.7906 295.7586 298.3461 312.8435 616.9412 618.8450 620.0186 625.1060 627.6237 630.4734 631.0506 631.8266 633.1935 634.3200 634.4692 635.4936 636.6357 637.2830 637.7327 637.9383 640.2469 641.7977 642.7573 647.6203 650.6720 657.2240 658.2805 710.2103 877.6609 1203.1059 1211.7773 1215.0063 1557.6736 1560.8449 1560.9509 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 -0.072207 -0.173038 -0.172281 -0.173100 -0.287904 -0.422873 -0.328965 -0.084283 0.109189 -0.032356 -0.075665 -0.272727 -0.252451 -0.123155 0.373482 -0.086861 0.498935 0.518971 -0.013379 -0.251103 -0.240097 -0.212862 0.274830 -0.112862 -0.234610 0.299022 -0.248996 -0.196015 -0.127127 -0.159312 -0.178509 0.098501 0.099781 0.099784 0.103748 0.097047 0.101318 0.102499 0.090645 0.149936 0.150014 0.148908 0.136658 0.159279 0.147763 0.145030 0.151539 0.156767 0.156824 0.162268 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 17.0722 9.1730 9.1723 9.1731 8.2879 8.4229 8.3290 7.0843 5.8908 6.0324 6.0757 6.2727 6.2525 6.1232 5.6265 6.0869 5.5011 5.4810 6.0134 6.2511 6.2401 6.2129 5.7252 6.1129 6.2346 5.7010 6.2490 6.1960 6.1271 6.1593 6.1785 0.9015 0.9002 0.9002 0.8963 0.9030 0.8987 0.8975 0.9094 0.8501 0.8500 0.8511 0.8633 0.8407 0.8522 0.8550 0.8485 0.8432 0.8432 0.8377 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 -0.0722 -0.1730 -0.1723 -0.1731 -0.2879 -0.4229 -0.3290 -0.0843 0.1092 -0.0324 -0.0757 -0.2727 -0.2525 -0.1232 0.3735 -0.0869 0.4989 0.5190 -0.0134 -0.2511 -0.2401 -0.2129 0.2748 -0.1129 -0.2346 0.2990 -0.2490 -0.1960 -0.1271 -0.1593 -0.1785 0.0985 0.0998 0.0998 0.1037 0.0970 0.1013 0.1025 0.0906 0.1499 0.1500 0.1489 0.1367 0.1593 0.1478 0.1450 0.1515 0.1568 0.1568 0.1623 1.2580 1.1241 1.1272 1.1305 2.1353 2.0748 2.0875 3.1017 3.8038 3.8369 3.8688 3.9068 3.9016 3.7946 4.1818 3.9487 3.7720 4.4657 3.7221 4.0911 3.9515 3.9727 3.7374 3.9072 4.0304 3.6778 4.0142 3.8863 3.9170 3.8663 3.8718 1.0349 1.0362 1.0010 0.9999 1.0172 1.0021 1.0014 1.0044 1.0111 0.9873 1.0133 1.0129 0.9896 1.0047 1.0080 1.0058 0.9900 0.9935 1.0004 1.2580 1.1241 1.1272 1.1305 2.1353 2.0748 2.0875 3.1017 3.8038 3.8369 3.8688 3.9068 3.9016 3.7946 4.1818 3.9487 3.7720 4.4657 3.7221 4.0911 3.9515 3.9727 3.7374 3.9072 4.0304 3.6778 4.0142 3.8863 3.9170 3.8663 3.8718 1.0349 1.0362 1.0010 0.9999 1.0172 1.0021 1.0014 1.0044 1.0111 0.9873 1.0133 1.0129 0.9896 1.0047 1.0080 1.0058 0.9900 0.9935 1.0004 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.1428 1.1189 1.1360 1.1215 1.0804 0.8904 1.8989 0.9520 0.9478 3.0440 0.8838 0.8933 0.9554 0.9538 0.9289 0.9861 0.9865 1.0312 1.0149 0.9884 0.9921 0.9838 0.9885 0.9929 0.9829 1.7878 0.9692 1.0267 0.9633 0.9342 0.9268 1.3296 1.3727 1.3808 0.9660 1.4413 0.9754 1.4008 1.4271 0.9793 0.9824 1.3880 1.3313 1.4417 0.9865 1.4150 0.9741 1.4192 0.9817 1.3906 0.9714 0.9698 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 -0.030107233 -1928.216880368197 -29.21839 29.18671 -0.03168 -5.22823 5.13189 -0.09634 4.56039 -2.54660 2.01378 2.01633 5.12511