Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 Cl F F F O O O N C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 1 2 2 2 3 3 3 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:-1.545,2.2676,-2.9836;.5165,4.3882,-2.2009;-.7758,5.3712,-.7881;-1.3504,5.2241,-2.8579;-.0737,-.8092,-1.359;.4315,1.066,-.257;2.1667,-3.5551,2.3546;1.3771,-2.818,-3.5283;-2.3817,.7552,1.0363;-2.5772,1.5805,-.1835;-1.8298,.2594,-.2944;-1.4659,1.2135,2.1434;-3.5763,-.0201,1.539;-1.8897,2.8705,-.3981;-.3932,.2557,-.5984;-1.441,3.2666,-1.5803;1.296,-.9394,-1.7134;-.7621,4.5699,-1.8508;2.1733,-1.3187,-.5421;1.3219,-1.9937,-2.7283;1.7349,-2.2817,.3565;3.4063,-.7045,-.3788;2.5352,-2.6032,1.443;4.2085,-1.0625,.6949;3.7741,-2.0019,1.6165;.86,-3.6253,2.7751;.3247,-4.8907,2.9648;.1156,-2.487,3.0598;-.9696,-5.0168,3.4506;-1.1797,-2.6292,3.536;-1.7286,-3.8898,3.7331;-3.5633,1.5427,-.6393;-2.3842,-.5474,-.7571;-2.0534,1.7479,2.892;-1.0065,.356,2.6387;-.6695,1.879,1.8211;-4.1651,.5936,2.2225;-4.2302,-.3364,.7259;-3.258,-.9124,2.0803;-1.7793,3.5382,.4488;1.6722,-.0243,-2.1829;.7792,-2.7728,.2158;3.736,.0502,-1.0811;5.1712,-.5885,.8304;4.3899,-2.2673,2.4661;.9173,-5.768,2.7387;.5338,-1.4977,2.9199;-1.3857,-6.0043,3.6006;-1.7592,-1.7429,3.7601;-2.7386,-3.9918,4.1067; 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 3290.8524736450 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 6.894e-06 Time for diagonalization 0.407 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.345 sec Total time needed 0.759 sec 17 9 9 9 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:-1.545,2.2676,-2.9836;.5165,4.3882,-2.2009;-.7758,5.3712,-.7881;-1.3504,5.2241,-2.8579;-.0737,-.8092,-1.359;.4315,1.066,-.257;2.1667,-3.5551,2.3546;1.3771,-2.818,-3.5283;-2.3817,.7552,1.0363;-2.5772,1.5805,-.1835;-1.8298,.2594,-.2944;-1.4659,1.2135,2.1434;-3.5763,-.0201,1.539;-1.8897,2.8705,-.3981;-.3932,.2557,-.5984;-1.441,3.2666,-1.5803;1.296,-.9394,-1.7134;-.7621,4.5699,-1.8508;2.1733,-1.3187,-.5421;1.3219,-1.9937,-2.7283;1.7349,-2.2817,.3565;3.4063,-.7045,-.3788;2.5352,-2.6032,1.443;4.2085,-1.0625,.6949;3.7741,-2.0019,1.6165;.86,-3.6253,2.7751;.3247,-4.8907,2.9648;.1156,-2.487,3.0598;-.9696,-5.0168,3.4506;-1.1797,-2.6292,3.536;-1.7286,-3.8898,3.7331;-3.5633,1.5427,-.6393;-2.3842,-.5474,-.7571;-2.0534,1.7479,2.892;-1.0065,.356,2.6387;-.6695,1.879,1.8211;-4.1651,.5936,2.2225;-4.2302,-.3364,.7259;-3.258,-.9124,2.0803;-1.7793,3.5382,.4488;1.6722,-.0243,-2.1829;.7792,-2.7728,.2158;3.736,.0502,-1.0811;5.1712,-.5885,.8304;4.3899,-2.2673,2.4661;.9173,-5.768,2.7387;.5338,-1.4977,2.9199;-1.3857,-6.0043,3.6006;-1.7592,-1.7429,3.7601;-2.7386,-3.9918,4.1067; 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 "WATER" 430.6992095999997 AuxInfo=1/0/N:12,13,31,29,30,24,22,27,28,25,21,14,20,19,26,23,10,17,16,11,15,9,18,1,2,3,4,8,6,7,5/E:(1,2)(4,5)(8,9)(25,26,27)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.2,14.3,15.3,16.3,19.3,21.3,28.1,29.1/rA:50nClFFFOO1ON1CCCCCC3C3C3CCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9s10;s9;s9;s10;s5s6s11;s1s14;s5;s2s3s4s16;s17;s8s17;s19;s19;s7s21;s22;s23s24;s7;s26;s26;s27;s28;s29s30;s10;s11;s12;s12;s12;s13;s13;s13;s14;s17;s21;s22;s24;s25;s27;s28;s29;s30;s31;/rC:-1.545,2.2676,-2.9836;.5165,4.3882,-2.2009;-.7758,5.3712,-.7881;-1.3504,5.2241,-2.8579;-.0737,-.8092,-1.359;.4315,1.066,-.257;2.1667,-3.5551,2.3546;1.3771,-2.818,-3.5283;-2.3817,.7552,1.0363;-2.5772,1.5805,-.1835;-1.8298,.2594,-.2944;-1.4659,1.2135,2.1434;-3.5763,-.0201,1.539;-1.8897,2.8705,-.3981;-.3932,.2557,-.5984;-1.441,3.2666,-1.5803;1.296,-.9394,-1.7134;-.7621,4.5699,-1.8508;2.1733,-1.3187,-.5421;1.3219,-1.9937,-2.7283;1.7349,-2.2817,.3565;3.4063,-.7045,-.3788;2.5352,-2.6032,1.443;4.2085,-1.0625,.6949;3.7741,-2.0019,1.6165;.86,-3.6253,2.7751;.3247,-4.8907,2.9648;.1156,-2.487,3.0598;-.9696,-5.0168,3.4506;-1.1797,-2.6292,3.536;-1.7286,-3.8898,3.7331;-3.5633,1.5427,-.6393;-2.3842,-.5474,-.7571;-2.0534,1.7479,2.892;-1.0065,.356,2.6387;-.6695,1.879,1.8211;-4.1651,.5936,2.2225;-4.2302,-.3364,.7259;-3.258,-.9124,2.0803;-1.7793,3.5382,.4488;1.6722,-.0243,-2.1829;.7792,-2.7728,.2158;3.736,.0502,-1.0811;5.1712,-.5885,.8304;4.3899,-2.2673,2.4661;.9173,-5.768,2.7387;.5338,-1.4977,2.9199;-1.3857,-6.0043,3.6006;-1.7592,-1.7429,3.7601;-2.7386,-3.9918,4.1067; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 2964 GEPOL Volume 2961.5574 GEPOL Surface-area 1660.0244 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -1928.17052545 3290.85247364 -5219.02299910 -9188.90571260 3969.88271350 -0.03997853 -3849.78817649 1921.61765103 2.00341008 115.999930858709 115.999930858709 231.999861717417 -157.116083806578 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 -2765.6900 -675.6838 -675.5564 -675.5523 -525.2281 -524.6556 -523.4253 -392.9582 -286.8979 -283.7426 -282.8322 -281.8655 -281.6976 -281.5556 -281.3109 -280.6752 -280.5390 -280.5359 -280.4247 -280.3035 -279.9970 -279.9622 -279.8733 -279.8686 -279.8210 -279.8149 -279.7747 -279.7334 -279.6354 -279.2422 -279.2341 -260.9581 -199.7971 -199.5578 -199.5466 -39.4714 -36.9752 -36.8541 -34.1654 -32.9537 -31.5894 -28.4742 -28.0756 -27.4508 -27.1847 -26.6661 -25.4012 -24.6147 -24.1421 -23.7064 -23.6565 -23.4310 -23.0916 -22.7600 -21.9306 -21.3633 -20.6350 -20.4074 -20.0058 -19.6844 -19.4978 -19.4430 -19.0701 -18.7219 -18.1658 -18.0144 -17.7227 -17.4058 -17.1140 -16.8776 -16.4610 -16.1686 -16.1127 -16.0354 -15.9698 -15.8276 -15.7376 -15.5795 -15.1935 -15.0249 -14.9820 -14.9175 -14.7538 -14.6417 -14.5564 -14.3376 -14.3086 -14.1867 -14.0034 -13.9160 -13.7517 -13.5396 -13.3707 -13.1983 -13.0773 -13.0571 -12.8926 -12.7713 -12.7176 -12.6736 -12.5145 -12.4133 -12.3252 -12.0391 -11.9931 -11.6951 -11.6642 -11.4505 -11.0060 -10.6800 -10.3491 -9.6944 -9.6654 -9.4396 -9.4063 -8.5251 0.9688 1.1216 1.3857 1.6756 1.9485 1.9991 2.5059 2.8700 2.9754 3.2736 3.6030 3.8907 4.0220 4.1595 4.2176 4.3910 4.5870 4.6496 4.8679 4.9139 5.1184 5.2164 5.2629 5.3529 5.4395 5.5186 5.8152 5.9000 5.9338 6.0943 6.1544 6.2394 6.3859 6.4110 6.4912 6.5372 6.7078 6.7287 6.9063 6.9835 7.0861 7.3260 7.4312 7.5507 7.6244 7.7330 7.8489 7.9051 8.0318 8.0879 8.1377 8.1779 8.3499 8.3745 8.4356 8.5217 8.6516 8.6596 8.7385 8.9007 9.0798 9.1212 9.1425 9.2414 9.2927 9.5218 9.5992 9.6845 9.8108 9.9259 9.9950 10.0871 10.1320 10.3047 10.4934 10.5134 10.6861 10.7899 10.8288 10.9480 11.0029 11.1292 11.2783 11.2894 11.3526 11.5038 11.6356 11.6702 11.7510 11.7809 11.9078 11.9340 11.9886 12.1667 12.2585 12.3881 12.4374 12.5714 12.7459 12.8214 12.9635 13.0681 13.1363 13.2284 13.3301 13.4495 13.4995 13.7014 13.7618 13.8364 13.9065 13.9768 14.0711 14.1756 14.2046 14.2747 14.3951 14.4601 14.5554 14.6306 14.7644 14.7966 14.8326 14.9311 15.0369 15.1214 15.2331 15.3687 15.3864 15.5012 15.5349 15.5741 15.7198 15.8918 15.9317 16.1200 16.1733 16.1923 16.3493 16.4247 16.6058 16.6605 16.8116 16.9164 16.9319 17.1340 17.1979 17.2841 17.3622 17.5038 17.5791 17.7582 17.8370 17.9118 18.0012 18.1794 18.3462 18.4731 18.6158 18.6632 18.8259 18.9280 19.0746 19.2240 19.4501 19.6315 19.7340 19.9372 19.9738 20.0408 20.1914 20.4600 20.5261 20.5907 20.7144 20.7621 20.8709 20.9597 20.9832 21.0922 21.1766 21.2764 21.5713 21.6332 21.7724 21.9426 21.9810 22.1661 22.2342 22.2790 22.4910 22.6713 22.7739 22.8732 23.0212 23.2043 23.2884 23.3561 23.6381 23.7010 23.7970 23.9641 24.0498 24.1638 24.2463 24.3157 24.4766 24.5261 24.7050 24.7331 24.7619 25.0394 25.1985 25.3311 25.4281 25.5952 25.6592 25.9596 26.1962 26.3435 26.3807 26.4026 26.6880 26.8165 26.9094 26.9572 26.9992 27.0794 27.2804 27.3429 27.5425 27.6714 27.7588 28.0739 28.1692 28.2323 28.3479 28.5207 28.6258 28.6778 28.8740 28.9653 29.0773 29.2486 29.3770 29.5151 29.6676 29.7818 29.8188 30.0212 30.0876 30.2778 30.3370 30.4586 30.5917 30.7636 31.1518 31.1841 31.2920 31.3565 31.4097 31.7160 31.8694 31.9413 31.9591 32.1462 32.2645 32.4700 32.5866 32.6911 32.8781 32.9606 33.0269 33.1331 33.1770 33.2767 33.3874 33.6408 33.7373 33.9387 33.9939 34.0931 34.3183 34.5545 34.6041 34.7771 34.8496 34.9372 35.3331 35.3506 35.4176 35.5460 35.7498 35.9095 35.9831 36.1780 36.2184 36.3711 36.4350 36.6724 36.8227 36.8436 37.0953 37.1983 37.2434 37.4273 37.6270 37.8329 37.9663 38.0518 38.1269 38.3685 38.4505 38.5193 38.5694 38.6769 38.6823 38.9113 39.0164 39.1506 39.2474 39.4055 39.4786 39.5974 39.6811 39.8733 40.1140 40.1636 40.2529 40.5150 40.5748 40.7240 40.7780 40.8297 41.0121 41.0779 41.3057 41.6609 41.7233 41.9187 41.9347 42.0378 42.2685 42.3450 42.4660 42.7001 42.8068 42.8392 42.9764 43.2110 43.2656 43.5252 43.6125 43.7359 44.0431 44.1516 44.2339 44.3112 44.4455 44.6152 44.6346 44.8891 45.0533 45.1128 45.3688 45.5537 45.7766 46.0093 46.1151 46.2544 46.3152 46.4189 46.6731 46.7664 46.8718 47.0707 47.3428 47.4875 47.5924 47.6572 47.8556 48.0162 48.0903 48.2551 48.4652 48.6609 48.7818 48.9195 49.0960 49.1557 49.3444 49.4781 49.6937 49.8727 50.0466 50.3139 50.3799 50.6770 50.7815 50.8252 51.0056 51.1091 51.3724 51.5985 51.7432 51.9553 51.9949 52.2823 52.4026 52.4827 52.6843 52.9675 53.0590 53.2060 53.3932 53.5314 53.5874 53.7640 53.8572 54.0494 54.3822 54.6520 54.8784 55.2592 55.3294 55.5679 55.6703 55.8442 56.0220 56.0534 56.4169 56.4254 56.6227 56.7377 56.9049 57.0497 57.2996 57.3528 57.4768 57.6987 57.8847 58.0916 58.2081 58.3871 58.5718 58.7543 59.3840 59.4457 59.6075 59.7263 59.7709 59.9998 60.2227 60.3203 60.5320 60.5384 61.0438 61.1299 61.4013 61.5830 61.8390 62.3286 62.4929 62.6982 63.0217 63.3337 63.4836 63.5829 63.7262 63.8939 63.9457 64.2118 64.3801 64.6361 64.8772 64.9324 65.0046 65.2869 65.3760 65.4971 65.6605 65.7978 65.8733 66.1573 66.3434 66.5195 66.6442 66.8617 66.9113 67.1226 67.2214 67.4908 67.5218 67.6008 68.0249 68.1049 68.2962 68.6782 68.7222 68.9596 69.1420 69.3378 69.5182 69.9375 70.0208 70.2189 70.6740 71.1374 71.2062 71.4556 71.7533 71.9340 72.0902 72.1953 72.3810 72.5911 72.7989 73.0140 73.2162 73.7373 73.7721 73.7997 74.0115 74.2331 74.5403 74.7313 74.7756 75.0164 75.3758 75.5101 75.7406 75.7711 76.0003 76.2690 76.3732 76.5557 76.6126 76.7582 76.9218 77.0350 77.2456 77.3810 77.6343 77.9174 77.9578 78.1531 78.3820 78.4079 78.5920 78.6725 78.7854 78.9057 79.1406 79.1896 79.3706 79.4742 79.6381 79.7340 79.8146 79.9692 80.1979 80.2628 80.4599 80.5436 80.7272 80.8209 80.9197 81.0673 81.1557 81.2764 81.4743 81.6416 81.7895 81.9270 82.0945 82.1868 82.3446 82.5446 82.5765 82.7273 82.8606 82.9498 82.9979 83.1329 83.2723 83.5585 83.7961 83.9170 84.0253 84.0689 84.2048 84.3957 84.5311 84.6030 84.7990 84.9797 85.0557 85.1111 85.2360 85.3929 85.4553 85.4830 85.5807 85.6992 85.7631 85.8855 86.0147 86.1088 86.3293 86.3611 86.5407 86.5742 86.6745 86.8495 86.9404 87.1396 87.2652 87.3629 87.5940 87.6284 87.7063 87.8404 87.9776 88.0897 88.2002 88.4141 88.4831 88.5376 88.7211 88.9643 89.0481 89.1421 89.2392 89.3680 89.4590 89.5204 89.5451 89.8141 89.9299 90.0395 90.0591 90.1740 90.3401 90.3987 90.4980 90.7091 90.9423 90.9857 91.0494 91.1939 91.2955 91.4952 91.6874 91.8031 91.8740 92.2373 92.3053 92.3892 92.5329 92.6425 92.7950 92.8864 92.9904 93.0316 93.2070 93.2776 93.3841 93.5057 93.5478 93.6721 93.7573 93.8212 93.9683 94.1293 94.2633 94.3733 94.4789 94.5404 94.8454 94.9182 95.1037 95.2312 95.3402 95.4572 95.5264 95.6153 95.7574 95.9619 95.9821 96.1707 96.3406 96.4773 96.5758 96.6748 96.8485 96.9845 97.1316 97.2922 97.3089 97.4855 97.5430 97.7226 97.8593 97.9711 98.1397 98.3185 98.4895 98.5848 98.6952 98.7141 98.9956 99.1452 99.2358 99.3597 99.7593 99.9352 99.9657 100.0929 100.2497 100.3524 100.5373 100.8765 100.9766 101.2775 101.3321 101.4289 101.6985 101.8332 102.2741 102.3430 102.3448 102.5747 102.8083 102.9937 103.1050 103.4416 103.6658 103.8231 104.0653 104.2895 104.3349 104.6171 104.8891 104.9935 105.0608 105.1664 105.2472 105.4487 105.5612 105.6740 105.7754 105.9478 106.0139 106.1580 106.3280 106.4593 106.5344 106.7865 106.9214 107.0985 107.1284 107.2638 107.3372 107.5526 107.7921 107.9685 108.0350 108.1395 108.2564 108.5251 108.6591 108.8948 108.9485 109.0110 109.1309 109.2657 109.5200 109.7174 109.8092 109.8490 110.0369 110.1547 110.1834 110.3707 110.5535 110.8402 110.9749 111.0652 111.1970 111.3847 111.4923 111.6488 111.8433 111.9517 112.0425 112.1353 112.3871 112.7662 112.8217 112.9725 113.1229 113.2629 113.4815 113.5866 113.7798 113.9500 114.2102 114.3440 114.5165 114.6231 114.9054 114.9659 115.1515 115.2229 115.4416 115.6656 115.7577 115.9080 115.9697 116.2907 116.3571 116.6287 116.6479 116.8354 116.9256 117.1069 117.2784 117.4631 117.4891 117.5675 117.8105 117.9113 118.0412 118.1904 118.4220 118.4478 118.6833 118.8412 118.8886 119.0555 119.1717 119.2602 119.4575 119.5650 119.6825 119.8939 119.9747 120.1541 120.2413 120.5548 120.5902 120.7885 120.9571 121.0455 121.2856 121.3414 121.4780 121.6935 121.8742 122.1410 122.4103 122.7169 123.1225 123.1965 123.3821 123.5817 123.9163 124.2448 124.3042 124.6044 124.9165 125.4134 125.5160 125.7035 125.9378 126.2250 126.5181 126.6662 126.8796 127.2119 127.5020 127.7754 127.9114 128.1526 128.4775 128.7651 129.0625 129.4702 129.5181 129.7251 129.8252 130.0302 130.3033 130.5364 130.6333 130.7059 130.8552 130.9211 131.2614 131.3364 131.7451 131.8765 132.0416 132.4564 132.5298 132.9154 132.9936 133.1519 133.2695 133.4559 133.5484 134.1345 134.3894 134.4507 134.7864 135.0240 135.2720 135.5013 135.8043 135.9081 136.2982 136.7146 136.8757 137.0241 137.3246 137.5418 137.7753 138.2228 138.4993 138.6471 138.9085 139.1916 139.7428 139.8164 139.8593 140.0411 140.2362 140.8992 140.9304 141.5037 141.6773 141.9688 142.0700 142.8345 142.9293 143.3112 143.6484 144.0592 144.1684 144.4339 144.6845 145.0008 145.1233 145.3373 145.4220 145.6373 145.9936 146.1282 146.2398 146.3754 146.6201 147.1396 147.5758 147.7269 147.7922 148.0293 148.1302 148.2878 148.5874 148.6159 149.3351 149.4312 149.6281 150.2804 150.4139 150.6295 150.9355 151.1190 151.2129 151.4714 151.7293 152.1119 152.6905 152.8855 153.0041 153.2475 154.0853 154.1507 154.6256 154.8540 155.1906 155.5351 155.7629 155.8970 156.1936 156.6223 157.1139 157.2248 158.0315 158.1916 158.6457 158.8587 159.2073 159.8313 160.1256 160.5007 160.7146 160.9345 161.4918 161.6125 161.9035 162.1869 162.4763 163.5327 164.2489 165.6659 166.7128 167.8946 169.4587 169.9790 171.5758 172.3851 172.7172 173.1912 174.6177 176.2224 177.6376 178.7073 178.9681 180.5172 182.5824 185.3378 186.6744 187.1882 187.2557 187.4159 188.3541 188.4630 188.6706 188.7551 188.7996 188.8212 188.9794 189.3434 189.4704 189.5568 191.9747 192.1177 192.2781 192.6732 192.8216 193.2035 194.3550 194.8945 195.5565 196.5320 196.6786 199.3458 201.9337 202.8454 202.9089 203.9484 205.1881 206.2887 206.5525 207.6083 209.1431 209.4192 223.1748 223.7999 224.7613 227.0758 227.8505 228.4282 228.6245 229.5193 232.5138 232.9956 235.0793 238.6766 240.7794 241.3889 244.1469 245.5364 246.9800 247.2168 250.1139 251.1535 295.9480 298.7748 312.8742 616.2163 618.3285 621.0566 625.1917 625.4881 630.6408 631.6717 632.2196 632.9112 634.1274 634.3703 635.3078 636.4085 636.6957 636.9364 637.5875 640.3220 642.0971 643.0257 648.2522 651.3849 657.3158 658.1050 711.1280 876.1311 1203.0749 1213.4046 1214.8114 1557.3075 1558.8901 1560.3800 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 -0.070849 -0.173194 -0.169115 -0.173455 -0.284970 -0.452959 -0.341061 -0.100621 0.098775 -0.058140 -0.041455 -0.277782 -0.264959 -0.101621 0.328848 -0.049240 0.443206 0.504342 0.011380 -0.222196 -0.190467 -0.208256 0.236847 -0.119080 -0.228467 0.286611 -0.256282 -0.187896 -0.117170 -0.149884 -0.202261 0.127707 0.101682 0.107514 0.089206 0.098591 0.098831 0.093107 0.097060 0.155167 0.143295 0.149527 0.149178 0.162387 0.151647 0.148798 0.163172 0.161537 0.172335 0.160632 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 17.0708 9.1732 9.1691 9.1735 8.2850 8.4530 8.3411 7.1006 5.9012 6.0581 6.0415 6.2778 6.2650 6.1016 5.6712 6.0492 5.5568 5.4957 5.9886 6.2222 6.1905 6.2083 5.7632 6.1191 6.2285 5.7134 6.2563 6.1879 6.1172 6.1499 6.2023 0.8723 0.8983 0.8925 0.9108 0.9014 0.9012 0.9069 0.9029 0.8448 0.8567 0.8505 0.8508 0.8376 0.8484 0.8512 0.8368 0.8385 0.8277 0.8394 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 -0.0708 -0.1732 -0.1691 -0.1735 -0.2850 -0.4530 -0.3411 -0.1006 0.0988 -0.0581 -0.0415 -0.2778 -0.2650 -0.1016 0.3288 -0.0492 0.4432 0.5043 0.0114 -0.2222 -0.1905 -0.2083 0.2368 -0.1191 -0.2285 0.2866 -0.2563 -0.1879 -0.1172 -0.1499 -0.2023 0.1277 0.1017 0.1075 0.0892 0.0986 0.0988 0.0931 0.0971 0.1552 0.1433 0.1495 0.1492 0.1624 0.1516 0.1488 0.1632 0.1615 0.1723 0.1606 1.2700 1.1241 1.1367 1.1284 2.1174 2.0284 2.0672 3.1114 3.7577 3.9155 3.8174 3.8915 3.9067 3.8033 4.0952 3.9460 3.6937 4.4972 3.6037 4.0879 3.9286 3.9735 3.7559 3.8950 4.0065 3.7066 4.0102 3.8860 3.8781 3.8651 3.9336 1.0070 1.0308 0.9997 1.0081 1.0152 1.0013 1.0055 1.0056 1.0009 1.0179 1.0154 1.0014 0.9879 1.0032 1.0070 0.9928 0.9871 0.9800 0.9912 1.2700 1.1241 1.1367 1.1284 2.1174 2.0284 2.0672 3.1114 3.7577 3.9155 3.8174 3.8915 3.9067 3.8033 4.0952 3.9460 3.6937 4.4972 3.6037 4.0879 3.9286 3.9735 3.7559 3.8950 4.0065 3.7066 4.0102 3.8860 3.8781 3.8651 3.9336 1.0070 1.0308 0.9997 1.0081 1.0152 1.0013 1.0055 1.0056 1.0009 1.0179 1.0154 1.0014 0.9879 1.0032 1.0070 0.9928 0.9871 0.9800 0.9912 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1290 1.1358 1.1341 1.1333 1.1242 0.8432 1.8435 0.9467 0.9264 3.0560 0.9757 0.8534 0.9265 0.9419 0.9310 0.9564 0.9989 0.9673 1.0303 0.9904 0.9924 0.9986 0.9950 0.9826 0.9916 1.8213 0.9685 1.0202 0.8849 0.9332 0.9747 1.3307 1.3721 1.3862 0.9685 1.4275 0.9854 1.3937 1.4296 0.9811 0.9822 1.3912 1.3598 1.4293 0.9843 1.3974 0.9630 1.4116 0.9794 1.4179 0.9683 0.9842 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 -0.029050342 -1928.199575795387 -6.87699 5.13504 -1.74194 -32.92725 33.29379 0.36654 36.69199 -34.27950 2.41249 2.99814 7.62067