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:2.0583,-.1548,-2.1678;5.0009,-.7014,-1.3079;4.5861,-.3028,.7686;4.2211,1.2032,-.7252;-2.0302,-1.7487,-.0927;-2.1991,-1.4366,2.1111;-1.5042,3.2277,-.2053;-4.0674,-2.1114,-2.6563;.4724,-3.3787,.6076;.8177,-2.0331,.0298;-.1149,-2.1294,1.2278;-.3687,-4.3074,-.2358;1.4751,-4.1208,1.4585;2.137,-1.4257,.2121;-1.5366,-1.7429,1.154;2.7513,-.6314,-.6588;-3.3673,-1.3195,-.2677;4.1408,-.105,-.4727;-3.5196,.184,-.1554;-3.7416,-1.7735,-1.6086;-2.4154,1.0082,-.2983;-4.7761,.7213,.0946;-2.5652,2.3764,-.1153;-4.9183,2.095,.2105;-3.8134,2.9293,.1256;-.3067,2.9082,.3758;.8249,3.4643,-.2055;-.2005,2.1229,1.5187;2.0688,3.2355,.3618;1.0548,1.8902,2.0647;2.1926,2.4422,1.4947;.3336,-1.8136,-.9139;.3142,-1.8616,2.1866;-.9748,-3.7968,-.9802;.2852,-4.9974,-.7718;-1.0321,-4.9061,.3911;2.0105,-3.4774,2.1555;.9662,-4.8834,2.0506;2.211,-4.6257,.8303;2.6633,-1.6492,1.1322;-4.0392,-1.8126,.4437;-1.4387,.6024,-.5306;-5.6366,.0731,.204;-5.8946,2.5215,.3988;-3.9167,3.9997,.2515;.7284,4.0761,-1.0938;-1.0749,1.6943,1.9914;2.9446,3.681,-.0911;1.1356,1.276,2.9525;3.1647,2.2623,1.9339; 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 3378.1104443098 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 6.110e-06 Time for diagonalization 0.349 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.313 sec Total time needed 0.679 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:2.0583,-.1548,-2.1678;5.0009,-.7014,-1.3079;4.5861,-.3028,.7686;4.2211,1.2032,-.7252;-2.0302,-1.7487,-.0927;-2.1991,-1.4366,2.1111;-1.5042,3.2277,-.2053;-4.0674,-2.1114,-2.6563;.4724,-3.3787,.6076;.8177,-2.0331,.0298;-.1149,-2.1294,1.2278;-.3687,-4.3074,-.2358;1.4751,-4.1208,1.4585;2.137,-1.4257,.2121;-1.5366,-1.7429,1.154;2.7513,-.6314,-.6588;-3.3673,-1.3195,-.2677;4.1408,-.105,-.4726;-3.5196,.184,-.1554;-3.7416,-1.7735,-1.6086;-2.4154,1.0082,-.2983;-4.7761,.7213,.0946;-2.5652,2.3764,-.1153;-4.9183,2.095,.2105;-3.8134,2.9293,.1256;-.3067,2.9082,.3758;.8249,3.4643,-.2055;-.2005,2.1229,1.5187;2.0688,3.2355,.3618;1.0548,1.8902,2.0647;2.1926,2.4422,1.4947;.3336,-1.8136,-.9139;.3142,-1.8616,2.1866;-.9748,-3.7968,-.9802;.2852,-4.9975,-.7718;-1.0321,-4.9061,.3911;2.0105,-3.4774,2.1556;.9662,-4.8834,2.0506;2.211,-4.6257,.8303;2.6633,-1.6492,1.1322;-4.0392,-1.8126,.4437;-1.4387,.6024,-.5306;-5.6366,.0731,.204;-5.8946,2.5215,.3988;-3.9167,3.9997,.2515;.7284,4.0761,-1.0938;-1.0749,1.6943,1.9914;2.9446,3.681,-.0911;1.1356,1.276,2.9525;3.1647,2.2623,1.9339; 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:2.0583,-.1548,-2.1678;5.0009,-.7014,-1.3079;4.5861,-.3028,.7686;4.2211,1.2032,-.7252;-2.0302,-1.7487,-.0927;-2.1991,-1.4366,2.1111;-1.5042,3.2277,-.2053;-4.0674,-2.1114,-2.6563;.4724,-3.3787,.6076;.8177,-2.0331,.0298;-.1149,-2.1294,1.2278;-.3687,-4.3074,-.2358;1.4751,-4.1208,1.4585;2.137,-1.4257,.2121;-1.5366,-1.7429,1.154;2.7513,-.6314,-.6588;-3.3673,-1.3195,-.2677;4.1408,-.105,-.4727;-3.5196,.184,-.1554;-3.7416,-1.7735,-1.6086;-2.4154,1.0082,-.2983;-4.7761,.7213,.0946;-2.5652,2.3764,-.1153;-4.9183,2.095,.2105;-3.8134,2.9293,.1256;-.3067,2.9082,.3758;.8249,3.4643,-.2055;-.2005,2.1229,1.5187;2.0688,3.2355,.3618;1.0548,1.8902,2.0647;2.1926,2.4422,1.4947;.3336,-1.8136,-.9139;.3142,-1.8616,2.1866;-.9748,-3.7968,-.9802;.2852,-4.9974,-.7718;-1.0321,-4.9061,.3911;2.0105,-3.4774,2.1555;.9662,-4.8834,2.0506;2.211,-4.6257,.8303;2.6633,-1.6492,1.1322;-4.0392,-1.8126,.4437;-1.4387,.6024,-.5306;-5.6366,.0731,.204;-5.8946,2.5215,.3988;-3.9167,3.9997,.2515;.7284,4.0761,-1.0938;-1.0749,1.6943,1.9914;2.9446,3.681,-.0911;1.1356,1.276,2.9525;3.1647,2.2623,1.9339; 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 2926 GEPOL Volume 2994.9261 GEPOL Surface-area 1658.3642 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.6s -1928.18599682 3378.11044431 -5306.29644113 -9362.87122263 4056.57478150 -0.03409515 -3849.80174927 1921.61575246 2.00341912 116.000112901729 116.000112901729 232.000225803457 -157.117261886313 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 -2765.6501 -675.6584 -675.5123 -675.4902 -525.3168 -524.6767 -523.4609 -392.9572 -286.8657 -283.8208 -282.9420 -281.8611 -281.6962 -281.5803 -281.2959 -280.7514 -280.7344 -280.6129 -280.4859 -280.4748 -280.0159 -280.0049 -279.9173 -279.8794 -279.8197 -279.7887 -279.7575 -279.6955 -279.5916 -279.3877 -279.3340 -260.9166 -199.7574 -199.5130 -199.5070 -39.4358 -36.9426 -36.7922 -34.2979 -33.0365 -31.6564 -28.5052 -28.0688 -27.5563 -27.2070 -26.6546 -25.4199 -24.6455 -24.1731 -23.7660 -23.6307 -23.4825 -23.1079 -22.8144 -22.0243 -21.3830 -20.6747 -20.3608 -20.0592 -19.6680 -19.4636 -19.3910 -19.1610 -18.9773 -18.3808 -18.1110 -17.9504 -17.6024 -16.9681 -16.5958 -16.4283 -16.2315 -16.1415 -16.0697 -15.9919 -15.8783 -15.7707 -15.6563 -15.1781 -15.1620 -14.9845 -14.8023 -14.7491 -14.5856 -14.3913 -14.2948 -14.2591 -14.1558 -13.9950 -13.8665 -13.8009 -13.6366 -13.4379 -13.4009 -13.0812 -13.0404 -13.0256 -12.8551 -12.7833 -12.6946 -12.5815 -12.4324 -12.3701 -12.0087 -11.9459 -11.7078 -11.6397 -11.5467 -11.4880 -11.0133 -10.3864 -9.7123 -9.5261 -9.4178 -9.2469 -8.4421 0.9391 1.1526 1.3062 1.7295 2.0067 2.1394 2.4054 2.8371 2.9246 3.2627 3.4833 3.7147 3.8025 4.1028 4.2513 4.3348 4.4472 4.5657 4.8179 4.8649 4.9790 5.1331 5.2952 5.3472 5.4469 5.6088 5.6402 5.7755 5.9291 6.1019 6.1949 6.2173 6.3128 6.4018 6.4169 6.7028 6.7948 6.8338 6.8808 7.0162 7.0782 7.1601 7.2670 7.3941 7.5008 7.6126 7.6695 7.7638 7.9724 8.0190 8.1116 8.1791 8.2622 8.3604 8.4407 8.5361 8.6132 8.6793 8.7522 8.8735 9.0381 9.1652 9.1878 9.2230 9.2489 9.3356 9.5259 9.6085 9.7518 9.8143 10.0280 10.2262 10.3888 10.4978 10.5142 10.5795 10.7040 10.8156 10.9061 11.0106 11.1172 11.1970 11.2977 11.3663 11.4912 11.5631 11.6049 11.6247 11.7101 11.8197 11.9509 12.0772 12.1588 12.3104 12.4318 12.5848 12.6471 12.7074 12.7895 12.8979 12.9941 13.0913 13.1120 13.1954 13.2786 13.4368 13.5181 13.6214 13.6854 13.8427 13.9042 13.9475 14.0904 14.1864 14.2928 14.3605 14.4755 14.5285 14.6218 14.7009 14.7784 14.8187 14.8814 14.9658 15.0081 15.1199 15.2283 15.3643 15.4388 15.5290 15.6906 15.7307 15.9283 15.9624 16.0799 16.1108 16.1910 16.2237 16.3430 16.3894 16.5268 16.5880 16.8126 16.8467 17.0559 17.2712 17.3104 17.3246 17.4823 17.5480 17.6919 17.7729 17.8625 18.0323 18.1489 18.1708 18.4008 18.5115 18.6276 18.6552 18.9405 19.1124 19.3131 19.3906 19.5340 19.7487 19.7953 19.9217 20.0604 20.1101 20.3429 20.4403 20.5213 20.5653 20.7588 20.7802 21.1011 21.1310 21.2368 21.2542 21.4624 21.4935 21.6616 21.7297 21.9077 22.0051 22.2066 22.2428 22.2784 22.4447 22.5560 22.6683 22.8328 22.8784 23.1127 23.2029 23.2751 23.4606 23.5209 23.7082 23.7692 23.8220 23.9920 24.1077 24.1150 24.2179 24.4114 24.4828 24.7216 24.7558 25.0089 25.0937 25.2558 25.3040 25.4509 25.5962 25.8889 26.0126 26.0691 26.1425 26.4071 26.5850 26.6412 26.7943 26.8349 27.0591 27.2846 27.3478 27.5387 27.7594 27.8000 27.8486 27.9845 28.2128 28.2898 28.4678 28.5071 28.6623 28.7554 28.8880 28.9469 29.1467 29.1948 29.3985 29.5586 29.6519 29.8121 29.8434 30.0670 30.2843 30.4860 30.5936 30.8145 30.8608 30.9980 31.0992 31.1733 31.2807 31.5153 31.6735 31.8321 31.9453 32.0162 32.2712 32.3782 32.5132 32.5476 32.7195 32.7466 32.8096 33.0052 33.0580 33.2859 33.3664 33.5298 33.6058 33.6312 33.8184 34.0286 34.1370 34.2431 34.3467 34.6029 34.6395 34.8937 35.0054 35.1718 35.4237 35.4483 35.6078 35.7438 35.8288 36.0250 36.0930 36.1064 36.3365 36.3788 36.6677 36.7335 36.8855 36.9562 37.1301 37.1931 37.2638 37.3753 37.7127 37.9056 37.9272 37.9823 38.0856 38.1465 38.2501 38.4022 38.4297 38.6607 38.7041 38.9106 38.9800 39.1665 39.2152 39.2297 39.3314 39.4099 39.4835 39.7718 39.9527 40.1663 40.2367 40.4391 40.5456 40.6812 40.8388 41.0342 41.1579 41.2119 41.4216 41.4938 41.8336 41.9912 42.2367 42.3523 42.4373 42.5880 42.6261 42.8024 42.9437 43.1366 43.2372 43.4534 43.5960 43.6644 43.8320 43.8984 44.0363 44.1075 44.2133 44.4650 44.5662 44.6646 44.7613 44.8835 45.0619 45.2226 45.3140 45.3660 45.6837 45.8403 45.9529 46.0536 46.2705 46.5350 46.6251 46.7091 46.8378 47.0009 47.1561 47.1626 47.5192 47.5746 47.7068 47.7942 48.1751 48.2502 48.3709 48.4916 48.7852 48.8636 49.0779 49.0947 49.1647 49.4646 49.5604 49.7397 49.8545 50.0753 50.2663 50.2925 50.4337 50.6660 50.9866 51.1241 51.2140 51.4883 51.6120 51.7858 52.1056 52.3412 52.4483 52.5731 52.6385 52.8080 52.9469 53.1105 53.2968 53.3824 53.6270 53.7528 53.8645 54.0596 54.1108 54.2990 54.5816 54.7454 55.0579 55.1888 55.5413 55.5635 55.7432 55.9373 56.2517 56.4187 56.5147 56.5560 56.7615 57.0774 57.2474 57.3563 57.5190 57.7746 57.9106 58.0996 58.2809 58.3308 58.6346 58.8731 59.0576 59.2297 59.4368 59.5232 59.6337 59.9459 60.2571 60.3578 60.4642 60.6057 60.7577 61.1447 61.3398 61.5967 61.7037 61.9786 62.1952 62.5314 62.5897 62.9211 62.9344 63.2457 63.4631 63.7158 63.7653 63.9381 64.0955 64.4157 64.5974 64.7012 65.0243 65.1364 65.2381 65.4579 65.5785 65.6671 65.8765 66.3650 66.4470 66.5553 66.6031 66.8230 66.9540 67.1826 67.2295 67.4555 67.5812 67.7785 67.8883 68.0240 68.3675 68.6525 68.7772 68.9596 69.0664 69.3405 69.4300 69.6377 69.9838 70.1101 70.3253 70.4792 71.0181 71.1295 71.4055 71.5553 71.7876 72.0800 72.2022 72.5217 72.6303 72.7121 72.7615 73.2123 73.6034 73.6832 74.0469 74.0929 74.2123 74.5107 74.5876 74.7577 75.0304 75.1398 75.3628 75.6670 75.7114 76.0087 76.1949 76.3557 76.5643 76.6381 76.9173 77.0275 77.0797 77.2315 77.3859 77.6124 77.8238 77.8959 78.1565 78.2038 78.3584 78.4662 78.6524 78.6655 78.8538 78.9883 79.2092 79.3334 79.4670 79.5377 79.6140 79.8289 79.9540 80.1243 80.2376 80.3246 80.3606 80.5157 80.7923 80.8084 81.0054 81.3168 81.3659 81.4540 81.7263 81.8453 81.9277 82.0722 82.1732 82.4070 82.5746 82.6181 82.7496 82.8586 83.0675 83.1835 83.4254 83.4509 83.6899 83.7351 83.9652 84.0932 84.2236 84.3320 84.4346 84.6105 84.6561 84.8052 84.9410 85.0457 85.1633 85.3247 85.4306 85.5121 85.5452 85.9368 85.9645 86.0285 86.0348 86.1227 86.2292 86.3393 86.4388 86.5799 86.6563 86.8264 86.8806 86.9958 87.0661 87.2179 87.3571 87.5256 87.6930 87.7410 87.9348 87.9977 88.0512 88.2218 88.3242 88.5227 88.6058 88.7480 88.8734 89.0211 89.1778 89.2297 89.4046 89.5138 89.5755 89.6386 89.8472 90.0101 90.1082 90.2553 90.4566 90.5334 90.6789 90.6952 90.8524 90.9498 91.1580 91.2284 91.3582 91.5210 91.6438 91.6547 91.8988 91.9939 92.2003 92.3722 92.4279 92.5459 92.7881 92.8613 93.0078 93.0674 93.1347 93.2213 93.2497 93.3332 93.4059 93.5844 93.6220 93.8058 93.8702 93.9734 94.0793 94.3045 94.3902 94.5702 94.7306 94.7766 94.8703 94.9902 95.1946 95.2284 95.4419 95.6522 95.7628 95.8267 95.8947 96.1442 96.3213 96.5305 96.6349 96.7112 96.8004 96.9120 97.1370 97.1616 97.2433 97.4252 97.5528 97.7164 97.8512 98.0074 98.0701 98.2525 98.4946 98.6904 98.7673 98.7784 98.8885 99.0387 99.1487 99.3240 99.4544 99.8235 99.9558 100.1038 100.2496 100.4229 100.5229 100.7565 101.0118 101.1271 101.2435 101.5086 101.6929 101.7842 101.9451 102.0872 102.3054 102.6615 102.7180 102.8498 103.0670 103.3130 103.5863 103.7182 104.0879 104.1762 104.5474 104.6249 104.7396 104.8971 105.0495 105.2036 105.3103 105.4416 105.6401 105.7100 105.7224 105.9337 106.0131 106.1081 106.2304 106.2759 106.3698 106.5860 106.9112 107.0422 107.2214 107.4754 107.5551 107.6481 107.8369 107.9993 108.1068 108.3249 108.5124 108.5607 108.8716 109.0129 109.1556 109.3539 109.3937 109.5089 109.5633 109.6160 109.8816 109.9754 110.0590 110.1924 110.3097 110.3751 110.4202 110.6715 110.8777 111.0053 111.1206 111.2061 111.3713 111.5145 111.7019 111.7754 111.9355 112.1396 112.1844 112.5474 112.6395 112.8783 112.9534 113.0192 113.1108 113.2301 113.4606 113.5384 113.7155 114.0704 114.2884 114.3350 114.5902 114.9550 115.0394 115.0930 115.2161 115.4424 115.5720 115.9672 116.1392 116.1572 116.1863 116.5569 116.6533 116.8518 116.8667 116.9974 117.1363 117.2583 117.3625 117.6424 117.7234 117.7765 117.9682 118.0675 118.2854 118.4216 118.4889 118.6514 118.7440 118.8497 119.0772 119.2667 119.3519 119.5627 119.6473 119.6747 119.8723 120.1057 120.3701 120.5317 120.6505 120.7172 120.8957 121.3749 121.4799 121.6038 121.7364 122.0599 122.0840 122.4115 122.6032 122.7065 122.9046 123.0716 123.4520 123.5708 123.9746 124.0246 124.4160 124.5357 124.9028 125.2269 125.3905 125.5529 125.8402 125.9016 126.2500 126.4486 126.6880 126.8225 127.0791 127.2153 127.2868 127.5817 128.1211 128.5958 128.6918 128.9012 129.0837 129.4030 129.5435 129.6254 129.9418 129.9740 130.2220 130.4452 130.6707 131.0236 131.0979 131.3679 131.4718 131.5686 131.7939 131.9294 131.9865 132.1306 132.4881 132.6614 132.7824 133.1167 133.2190 133.4143 133.7271 134.1098 134.4329 134.6167 134.9787 135.0923 135.3912 135.6642 135.8467 136.2856 136.5782 136.8635 137.3502 137.6187 138.1304 138.2835 138.4689 138.5901 138.9077 139.0249 139.2620 139.4669 139.8957 139.9188 140.0699 140.3900 140.5942 141.0133 141.5485 141.6420 142.0008 142.1610 142.4619 142.8546 143.1705 143.4290 143.7321 144.4117 144.6190 144.6531 144.7490 144.9439 145.2766 145.3807 145.5632 145.6530 145.8908 146.2262 146.6331 146.8046 147.0626 147.4213 147.7454 147.8300 148.1208 148.2146 148.3753 148.4565 148.5897 148.9074 149.4187 149.8638 150.0446 150.1852 150.5050 150.5957 150.8265 151.3012 151.8698 152.0543 152.1127 152.5630 152.7476 152.9183 153.1530 153.5840 153.9472 154.4593 154.8739 155.0772 155.3767 156.0718 156.2208 156.6963 157.0821 157.4257 157.5669 157.9689 158.1000 158.6828 159.0884 159.4843 159.8619 160.2452 160.4450 160.5788 160.9460 161.4968 161.8229 162.0441 163.1838 163.5699 164.5838 164.7324 166.1702 166.9205 168.3927 169.6844 170.2821 171.1887 172.5278 173.2166 173.3879 174.6938 176.2008 177.2948 178.0831 179.1135 180.8385 181.7681 185.5309 187.0890 187.3846 187.6548 188.0757 188.4304 188.5519 188.7119 188.7288 188.8654 188.8905 188.9242 189.0700 189.3760 189.4676 192.2067 192.3163 192.3889 192.9646 193.3180 193.9425 194.5565 195.1501 195.3972 196.3378 196.6101 198.5065 202.4290 202.7761 203.0912 204.0684 206.1680 206.5546 206.6932 208.0959 209.3769 209.4238 222.1625 223.5711 224.0986 226.9909 227.9370 228.5546 228.7357 229.2354 232.7187 233.3171 235.3552 238.8257 240.8542 241.4964 244.3338 245.7624 247.3314 248.2627 249.9993 251.9183 296.2028 298.4889 312.6986 616.4906 620.5278 620.8791 625.2918 625.4765 630.2291 631.0557 632.2167 632.7831 634.0536 634.5812 635.7133 636.4365 637.3290 637.9115 638.1718 641.2194 642.2314 643.4662 647.2688 650.5554 657.4819 658.4295 710.5920 876.7998 1200.1548 1213.1468 1215.1894 1558.1928 1560.9150 1563.2400 -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 -0.074415 -0.173650 -0.176071 -0.168295 -0.276396 -0.426027 -0.324633 -0.083165 0.076090 0.079457 -0.068281 -0.264052 -0.277604 -0.212156 0.375976 -0.049591 0.359729 0.524706 0.062605 -0.230575 -0.199039 -0.237444 0.268211 -0.101805 -0.240919 0.320997 -0.265126 -0.197235 -0.111789 -0.160763 -0.188826 0.090222 0.104619 0.094809 0.098296 0.103761 0.093672 0.101202 0.103984 0.140675 0.149713 0.145179 0.146066 0.159692 0.147860 0.143836 0.152134 0.152544 0.158656 0.153168 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 17.0744 9.1737 9.1761 9.1683 8.2764 8.4260 8.3246 7.0832 5.9239 5.9205 6.0683 6.2641 6.2776 6.2122 5.6240 6.0496 5.6403 5.4753 5.9374 6.2306 6.1990 6.2374 5.7318 6.1018 6.2409 5.6790 6.2651 6.1972 6.1118 6.1608 6.1888 0.9098 0.8954 0.9052 0.9017 0.8962 0.9063 0.8988 0.8960 0.8593 0.8503 0.8548 0.8539 0.8403 0.8521 0.8562 0.8479 0.8475 0.8413 0.8468 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 -0.0744 -0.1737 -0.1761 -0.1683 -0.2764 -0.4260 -0.3246 -0.0832 0.0761 0.0795 -0.0683 -0.2641 -0.2776 -0.2122 0.3760 -0.0496 0.3597 0.5247 0.0626 -0.2306 -0.1990 -0.2374 0.2682 -0.1018 -0.2409 0.3210 -0.2651 -0.1972 -0.1118 -0.1608 -0.1888 0.0902 0.1046 0.0948 0.0983 0.1038 0.0937 0.1012 0.1040 0.1407 0.1497 0.1452 0.1461 0.1597 0.1479 0.1438 0.1521 0.1525 0.1587 0.1532 1.2546 1.1250 1.1268 1.1279 2.1083 2.0767 2.0961 3.1113 3.8084 3.7406 3.8418 3.9133 3.9188 3.8903 4.1683 3.9565 3.7527 4.4632 3.5909 4.0589 3.9541 4.0131 3.7466 3.8795 4.0214 3.6637 4.0074 3.8552 3.8493 3.8504 3.8499 1.0392 1.0254 1.0103 1.0006 0.9996 1.0067 1.0004 0.9996 1.0212 1.0143 1.0074 1.0018 0.9882 1.0049 1.0092 1.0043 0.9945 0.9917 1.0000 1.2546 1.1250 1.1268 1.1279 2.1083 2.0767 2.0961 3.1113 3.8084 3.7406 3.8418 3.9133 3.9188 3.8903 4.1683 3.9565 3.7527 4.4632 3.5909 4.0589 3.9541 4.0131 3.7466 3.8795 4.0214 3.6637 4.0074 3.8552 3.8493 3.8504 3.8499 1.0392 1.0254 1.0103 1.0006 0.9996 1.0067 1.0004 0.9996 1.0212 1.0143 1.0074 1.0018 0.9882 1.0049 1.0092 1.0043 0.9945 0.9917 1.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 1.1187 1.1341 1.1123 1.1257 1.1124 0.8901 1.9144 0.9536 0.9539 3.0534 0.9035 0.9079 0.9499 0.9514 0.8553 0.9958 1.0028 1.0276 1.0012 0.9858 0.9892 0.9938 0.9896 0.9873 0.9933 1.8278 0.9489 1.0113 0.8948 0.9303 0.9841 1.3241 1.3792 1.3734 0.9683 1.4407 0.9858 1.4053 1.4162 0.9796 0.9814 1.3720 1.3347 1.4434 0.9920 1.3955 0.9722 1.3614 0.9870 1.3940 0.9875 0.9949 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 -0.031399153 -1928.217395969461 -22.91299 23.00178 0.08879 -12.31119 11.26433 -1.04687 16.26699 -14.48546 1.78153 2.06825 5.25708