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:-3.674,4.2582,-1.0539;-4.2018,.4247,-.7729;-5.4278,1.895,-1.7574;-5.0742,2.0365,.3556;1.7722,1.6801,.7961;.0279,.4595,.1275;2.943,-4.1814,.8232;3.9235,1.5966,3.3011;.2757,2.4132,-2.3443;-.8815,2.9008,-1.5187;.4597,2.6153,-.8541;.291,1.0302,-2.9474;.9483,3.4437,-3.219;-2.0714,2.0876,-1.2628;.6771,1.4691,.0445;-3.293,2.571,-1.0632;2.1834,.6033,1.6243;-4.4986,1.7232,-.8101;2.815,-.5217,.8345;3.1586,1.1802,2.5524;2.5442,-1.8301,1.2052;3.6663,-.2426,-.2274;3.1286,-2.8729,.4965;4.2429,-1.2948,-.9223;3.976,-2.6085,-.5713;1.7714,-4.5936,1.4032;.5331,-4.2375,.8826;1.8662,-5.4368,2.4998;-.6172,-4.7297,1.4809;.7068,-5.9326,3.0798;-.5374,-5.5765,2.579;-1.072,3.9644,-1.5972;1.017,3.5013,-.5741;1.3188,.6733,-3.0378;-.2656,.282,-2.3892;-.1325,1.0686,-3.9524;.4341,3.5225,-4.1785;.9512,4.4326,-2.7597;1.9846,3.1642,-3.4173;-1.9665,1.012,-1.2445;1.3491,.224,2.2241;1.8836,-2.025,2.0413;3.8845,.778,-.5147;4.9061,-1.0911,-1.7525;4.4243,-3.4278,-1.1189;.461,-3.5873,.0192;2.8393,-5.7066,2.8908;-1.5829,-4.4525,1.0783;.7808,-6.5944,3.9331;-1.4397,-5.9585,3.0378; 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 3133.5478133823 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 6.908e-06 Time for diagonalization 0.401 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.379 sec Total time needed 0.790 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:-3.674,4.2582,-1.0539;-4.2018,.4247,-.7729;-5.4278,1.895,-1.7574;-5.0742,2.0365,.3556;1.7722,1.6801,.7961;.0279,.4595,.1275;2.943,-4.1814,.8232;3.9235,1.5966,3.3011;.2757,2.4132,-2.3443;-.8815,2.9008,-1.5187;.4597,2.6153,-.8541;.291,1.0302,-2.9474;.9483,3.4437,-3.219;-2.0714,2.0876,-1.2628;.6771,1.4691,.0445;-3.293,2.571,-1.0632;2.1834,.6033,1.6243;-4.4986,1.7232,-.8101;2.815,-.5217,.8345;3.1586,1.1802,2.5524;2.5442,-1.8301,1.2052;3.6663,-.2426,-.2274;3.1286,-2.8729,.4965;4.2429,-1.2948,-.9222;3.976,-2.6085,-.5713;1.7714,-4.5936,1.4032;.5331,-4.2375,.8826;1.8662,-5.4368,2.4998;-.6172,-4.7297,1.4809;.7068,-5.9326,3.0798;-.5374,-5.5765,2.579;-1.072,3.9644,-1.5972;1.017,3.5013,-.5741;1.3188,.6733,-3.0378;-.2656,.282,-2.3892;-.1325,1.0686,-3.9524;.4341,3.5225,-4.1785;.9512,4.4326,-2.7597;1.9846,3.1642,-3.4173;-1.9665,1.012,-1.2445;1.3491,.224,2.2241;1.8836,-2.025,2.0413;3.8845,.778,-.5147;4.9061,-1.0911,-1.7525;4.4243,-3.4278,-1.1189;.461,-3.5873,.0192;2.8393,-5.7066,2.8908;-1.5829,-4.4525,1.0783;.7808,-6.5944,3.9331;-1.4397,-5.9585,3.0378; 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:-3.674,4.2582,-1.0539;-4.2018,.4247,-.7729;-5.4278,1.895,-1.7574;-5.0742,2.0365,.3556;1.7722,1.6801,.7961;.0279,.4595,.1275;2.943,-4.1814,.8232;3.9235,1.5966,3.3011;.2757,2.4132,-2.3443;-.8815,2.9008,-1.5187;.4597,2.6153,-.8541;.291,1.0302,-2.9474;.9483,3.4437,-3.219;-2.0714,2.0876,-1.2628;.6771,1.4691,.0445;-3.293,2.571,-1.0632;2.1834,.6033,1.6243;-4.4986,1.7232,-.8101;2.815,-.5217,.8345;3.1586,1.1802,2.5524;2.5442,-1.8301,1.2052;3.6663,-.2426,-.2274;3.1286,-2.8729,.4965;4.2429,-1.2948,-.9223;3.976,-2.6085,-.5713;1.7714,-4.5936,1.4032;.5331,-4.2375,.8826;1.8662,-5.4368,2.4998;-.6172,-4.7297,1.4809;.7068,-5.9326,3.0798;-.5374,-5.5765,2.579;-1.072,3.9644,-1.5972;1.017,3.5013,-.5741;1.3188,.6733,-3.0378;-.2656,.282,-2.3892;-.1325,1.0686,-3.9524;.4341,3.5225,-4.1785;.9512,4.4326,-2.7597;1.9846,3.1642,-3.4173;-1.9665,1.012,-1.2445;1.3491,.224,2.2241;1.8836,-2.025,2.0413;3.8845,.778,-.5147;4.9061,-1.0911,-1.7525;4.4243,-3.4278,-1.1189;.461,-3.5873,.0192;2.8393,-5.7066,2.8908;-1.5829,-4.4525,1.0783;.7808,-6.5944,3.9331;-1.4397,-5.9585,3.0378; 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 2906 GEPOL Volume 2992.2413 GEPOL Surface-area 1671.2714 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.6s -1928.18732116 3133.54781338 -5061.73513454 -8873.87241175 3812.13727721 -0.03178413 -3849.80060693 1921.61328577 2.00342110 116.000079237100 116.000079237100 232.000158474200 -157.113722835624 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 -2765.6319 -675.6433 -675.5018 -675.5011 -525.2740 -524.6760 -523.4744 -392.9353 -286.8486 -283.8052 -282.8720 -281.8380 -281.7520 -281.5428 -281.2740 -280.7453 -280.6942 -280.5712 -280.5025 -280.4671 -280.0211 -279.9982 -279.8848 -279.8714 -279.8459 -279.8358 -279.8034 -279.7609 -279.6721 -279.3697 -279.3623 -260.9004 -199.7406 -199.4965 -199.4907 -39.4222 -36.9255 -36.8019 -34.2380 -33.0408 -31.6486 -28.4718 -28.0325 -27.5254 -27.2064 -26.6900 -25.4350 -24.6437 -24.1712 -23.7724 -23.6812 -23.4728 -23.0834 -22.8123 -22.0601 -21.3980 -20.6590 -20.4248 -20.0114 -19.7103 -19.4683 -19.3894 -19.2830 -18.5508 -18.2105 -17.9633 -17.8470 -17.4313 -17.2730 -17.0084 -16.4982 -16.1818 -16.1132 -16.0050 -15.9304 -15.8535 -15.7537 -15.7122 -15.1440 -15.0254 -14.9603 -14.8309 -14.7343 -14.5785 -14.4544 -14.3127 -14.2612 -14.1337 -14.0619 -13.9735 -13.8245 -13.5619 -13.4368 -13.3534 -13.0953 -13.0717 -13.0408 -12.9158 -12.7370 -12.6738 -12.5855 -12.3932 -12.3534 -12.1168 -12.0471 -11.7211 -11.5537 -11.5210 -11.4516 -10.7950 -10.4402 -9.7070 -9.4733 -9.4201 -9.3727 -8.5309 0.9921 1.1028 1.3291 1.6952 1.8873 2.0727 2.5805 2.8977 2.9637 3.1702 3.5851 3.7219 3.9447 4.0855 4.2272 4.4251 4.6504 4.7257 4.8369 4.8568 4.9924 5.0547 5.1275 5.2523 5.5068 5.5863 5.6549 5.8469 5.9459 6.0918 6.1523 6.1970 6.2109 6.3081 6.4184 6.4402 6.6487 6.6837 6.7614 6.9067 7.0829 7.1790 7.1984 7.3833 7.4133 7.5866 7.6665 7.7489 7.7724 7.9104 7.9935 8.0392 8.1535 8.2389 8.2763 8.4469 8.5402 8.6165 8.6690 8.7465 8.9727 9.0739 9.1048 9.2134 9.2517 9.3422 9.3701 9.4396 9.4778 9.5672 9.6614 9.8259 9.9519 10.1396 10.1971 10.3521 10.4597 10.7416 10.7789 10.9234 10.9821 11.1295 11.1554 11.3135 11.3766 11.4379 11.4881 11.5576 11.6415 11.7825 11.8121 11.8931 11.9199 11.9968 12.1259 12.1381 12.3692 12.4278 12.4961 12.5504 12.7299 12.7884 12.8835 12.9346 13.1070 13.2663 13.3231 13.3637 13.4407 13.5153 13.6812 13.7311 13.8133 13.9063 13.9637 14.1138 14.1517 14.1801 14.3054 14.3903 14.4914 14.5515 14.6010 14.7571 14.8064 14.9020 14.9776 15.0376 15.0981 15.2157 15.3743 15.4787 15.5507 15.6838 15.8506 15.8847 15.9828 15.9960 16.0577 16.1960 16.3097 16.4518 16.5055 16.6674 16.7871 16.7958 16.8699 16.9818 17.0893 17.1479 17.2464 17.2940 17.4055 17.4512 17.7253 17.8414 17.9690 18.0221 18.1081 18.3444 18.4057 18.7719 18.8222 18.9319 19.2089 19.2631 19.5240 19.6740 19.7918 19.9671 20.0205 20.1030 20.2451 20.2763 20.4312 20.5304 20.6743 20.7750 20.8297 20.9432 21.0915 21.2198 21.3133 21.3872 21.4240 21.5228 21.6692 21.7720 21.8491 21.9378 22.1633 22.2819 22.4558 22.5710 22.7654 22.9153 23.0146 23.1568 23.3825 23.4640 23.5503 23.5883 23.7021 23.9057 24.0143 24.0761 24.1014 24.2715 24.4346 24.5149 24.6140 24.7754 24.8190 24.9799 25.0793 25.1429 25.3105 25.5077 25.6576 25.7141 25.7834 25.9799 26.2154 26.3339 26.4517 26.7464 26.8288 26.9523 27.0940 27.2021 27.2807 27.3598 27.7231 27.8605 27.9732 28.0131 28.0203 28.2104 28.3010 28.3761 28.5119 28.6939 28.7502 29.0089 29.1133 29.1989 29.3650 29.4598 29.4917 29.6344 29.8075 30.0470 30.1711 30.2342 30.4273 30.5313 30.6295 30.6881 30.9289 31.0490 31.1778 31.4380 31.5388 31.5940 31.6484 31.8082 32.0215 32.0759 32.2993 32.3552 32.6096 32.6713 32.7764 32.9012 32.9702 33.1373 33.3234 33.4017 33.6220 33.7679 33.8466 33.9589 34.1298 34.2747 34.3323 34.5089 34.6238 34.6415 34.9640 35.0450 35.0736 35.2275 35.4968 35.7127 35.8034 35.8434 35.9654 36.2765 36.4162 36.4836 36.5271 36.6707 36.8718 36.9330 37.1420 37.2409 37.4229 37.4421 37.5169 37.8177 37.8814 38.0450 38.0928 38.2140 38.4376 38.5511 38.5763 38.6396 38.7029 38.7671 38.9711 39.1232 39.1429 39.2869 39.4571 39.5401 39.6772 39.8927 40.1185 40.2072 40.3860 40.5240 40.6713 40.7474 40.8216 41.0542 41.1238 41.3604 41.5653 41.7481 41.7670 41.9753 42.1150 42.1880 42.3586 42.6924 42.7545 42.8445 42.9302 43.0188 43.2073 43.3788 43.4783 43.6447 43.8096 43.9536 44.0400 44.1286 44.2351 44.3517 44.4450 44.6742 44.8716 44.9386 45.1412 45.3269 45.4484 45.5679 45.6348 45.9365 45.9966 46.0800 46.1670 46.2113 46.4610 46.6545 46.7706 47.1337 47.2024 47.3642 47.4345 47.5524 47.7198 47.7502 47.8646 48.0048 48.2183 48.4239 48.6141 48.6988 49.0169 49.1759 49.2883 49.4883 49.7463 49.9007 50.1107 50.2597 50.4185 50.4749 50.6895 50.6986 50.9777 51.0625 51.2840 51.5025 51.5525 51.8651 51.9926 52.2558 52.3514 52.5427 52.6038 52.8047 52.9357 53.1316 53.2007 53.5450 53.7160 53.7586 54.1745 54.3919 54.6295 54.8571 54.9154 55.2688 55.3824 55.6243 55.7990 55.8684 56.1215 56.2637 56.3333 56.5321 56.6431 56.7229 56.9235 57.1159 57.2497 57.3906 57.5558 57.8863 57.9261 58.1300 58.5221 58.7352 58.9154 59.1424 59.4031 59.5137 59.6023 59.6614 59.8242 60.1261 60.3161 60.4339 60.6739 60.8377 60.8933 61.2058 61.3320 61.7944 62.1912 62.3758 62.6299 62.7821 63.2218 63.3369 63.6247 63.6580 63.8077 63.8594 63.9425 64.2646 64.4818 64.5067 64.6883 64.9604 65.0398 65.1681 65.4188 65.5237 65.6171 65.7511 65.9195 66.0663 66.3989 66.5652 66.6576 67.0047 67.1358 67.1986 67.2633 67.4509 67.5420 67.8333 68.1372 68.2172 68.4752 68.5737 69.0752 69.2844 69.3726 69.5150 69.8404 70.1023 70.5543 70.9700 71.1969 71.3579 71.5223 71.7204 71.9457 72.0264 72.3239 72.5757 72.6946 72.9014 73.2571 73.3052 73.4863 73.6867 73.7869 74.0668 74.2277 74.4178 74.6713 74.8392 75.0458 75.1834 75.3910 75.4604 75.6585 76.0255 76.1145 76.2503 76.5059 76.5682 76.7792 76.9931 77.1863 77.2971 77.5415 77.6283 77.8780 78.0102 78.1828 78.3198 78.4427 78.5699 78.6667 78.9223 78.9614 79.0112 79.0782 79.1394 79.2899 79.4460 79.5881 79.6267 79.7166 79.8548 80.0428 80.1177 80.2617 80.4102 80.5316 80.6100 80.9065 81.0224 81.1245 81.3936 81.5050 81.6608 81.8002 82.0134 82.0308 82.1889 82.3170 82.5657 82.6224 82.8749 82.9203 83.0770 83.1251 83.2625 83.5016 83.7314 83.9153 83.9760 84.1697 84.2512 84.2772 84.3849 84.5540 84.7301 84.7913 84.8914 84.9634 85.0742 85.1516 85.2894 85.3741 85.4577 85.5236 85.6391 85.7515 85.8604 85.9616 86.0906 86.1469 86.2688 86.4864 86.6623 86.7105 86.8577 86.9464 87.0581 87.0993 87.4545 87.5710 87.6248 87.7677 87.8723 87.9880 88.1700 88.2615 88.3952 88.4352 88.6960 88.7979 88.9063 88.9816 89.0197 89.1073 89.2418 89.3144 89.4924 89.6082 89.6607 89.7595 89.8300 89.9063 90.0137 90.1727 90.3648 90.5010 90.6003 90.7945 91.0376 91.1433 91.2765 91.5123 91.6836 91.7379 91.8564 92.1067 92.1884 92.3508 92.4105 92.5383 92.7060 92.7732 92.9085 92.9576 93.0117 93.2109 93.3583 93.4686 93.5079 93.6067 93.7203 93.7526 93.9526 94.0320 94.0708 94.2646 94.4771 94.6442 94.8489 94.9434 95.0513 95.1394 95.1950 95.3822 95.4012 95.5361 95.6565 95.8038 95.9979 96.0343 96.2064 96.4831 96.5721 96.7567 96.9681 97.0426 97.1879 97.2205 97.3395 97.5193 97.6152 97.7753 97.9283 98.0179 98.1235 98.3708 98.4449 98.5646 98.6992 98.7242 98.9053 99.1588 99.2722 99.3618 99.4814 99.5871 99.8289 100.0070 100.2185 100.4331 100.5413 100.8556 100.9803 101.1564 101.4040 101.4743 101.6460 101.8329 102.2358 102.4001 102.6657 102.8157 102.8717 103.1252 103.3714 103.7215 103.9934 104.1449 104.2712 104.3018 104.6307 104.7945 104.8264 104.9086 105.0347 105.3678 105.4696 105.6374 105.6725 105.7505 105.8314 105.9505 106.0385 106.1242 106.2794 106.4708 106.6116 106.6438 106.7584 106.8596 107.0989 107.2661 107.4197 107.4865 107.6360 107.8020 107.9137 108.0554 108.2553 108.3005 108.4096 108.8782 109.0383 109.2235 109.2559 109.3880 109.4640 109.6458 109.7735 109.9746 110.0862 110.1310 110.2360 110.4010 110.4389 110.6468 110.6885 110.7916 111.0311 111.0690 111.3646 111.6679 111.7903 111.9167 112.0431 112.3551 112.4201 112.5134 112.6844 112.7973 113.0867 113.2637 113.4127 113.5805 113.6752 113.9180 114.0784 114.3921 114.5229 114.5643 114.7370 114.8261 115.0137 115.0956 115.2641 115.3787 115.6711 115.8909 116.1097 116.2389 116.3384 116.4852 116.5848 116.6839 116.8169 116.9283 117.1881 117.3199 117.4971 117.5682 117.7895 117.8808 118.0887 118.1731 118.3184 118.3855 118.4960 118.5695 118.6775 118.8633 119.0389 119.1306 119.1839 119.3165 119.5421 119.8566 120.1395 120.2093 120.2822 120.4216 120.6917 120.7254 120.9351 121.2450 121.4154 121.5995 121.7571 121.8638 122.2048 122.2494 122.4717 122.5174 122.7298 123.1852 123.4362 123.5779 123.9671 124.3603 124.4886 125.0553 125.2230 125.3758 125.7379 125.9639 126.3185 126.3853 126.4381 126.6334 126.9247 127.2141 127.4180 127.9619 127.9926 128.0341 128.7425 128.9229 129.1672 129.3615 129.4566 129.5630 129.8656 129.9168 130.0454 130.2782 130.5047 130.7054 130.7400 130.8488 131.2881 131.5100 131.5770 132.0273 132.1379 132.4328 132.6301 132.8232 132.9105 132.9198 133.2817 133.3898 133.5979 134.0322 134.3430 134.3857 134.6911 134.9190 135.0349 135.4746 135.7392 136.3106 136.6807 136.7767 136.9559 137.1597 137.5243 137.7138 137.9162 138.1824 138.4721 138.6634 138.7384 139.4353 139.5823 139.7844 140.0922 140.4714 140.8841 141.2554 141.3330 141.6496 141.7491 142.2742 142.4495 142.9245 143.3286 143.4566 144.1142 144.2154 144.2836 144.3827 144.4793 144.8818 145.0884 145.3305 145.4070 145.7795 146.0272 146.2165 146.2707 146.6158 146.7693 147.1420 147.3343 147.6244 147.7697 147.8994 148.1569 148.3303 148.4994 148.9060 149.0100 149.5375 149.8624 150.1754 150.2663 150.5530 150.7829 151.1238 151.3363 152.0079 152.0658 152.4080 152.4376 152.5431 152.9933 153.6352 153.7844 154.4387 154.6750 154.8656 155.7089 155.9249 156.1404 156.6561 156.9684 157.2324 157.3475 157.9702 158.1016 158.4105 159.2784 159.4303 159.5888 160.1126 160.4209 160.7077 161.1434 161.7988 161.9022 162.3063 162.7214 163.3037 164.2875 164.7547 165.9813 167.1722 167.9838 169.0368 170.1252 172.0063 172.5042 172.8123 173.0961 174.7008 175.9936 177.4918 178.4971 178.9079 180.9364 182.6544 185.3020 186.6199 187.0115 187.2983 187.3855 188.3810 188.4993 188.7306 188.7998 188.8727 188.8865 189.0760 189.1429 189.3800 189.6925 192.0065 192.0503 192.2812 192.6406 192.9602 193.3515 194.3771 194.9795 195.4697 196.4501 196.5834 199.2410 201.9802 202.8425 202.8697 204.0095 204.9016 206.4289 206.4788 207.1042 209.1244 209.4527 221.8845 223.4053 223.5579 226.9423 227.6829 228.4564 228.5255 229.1488 232.4886 233.2105 235.0062 238.6795 240.7877 241.4699 244.2069 245.5807 246.9134 247.3900 249.8034 251.2913 294.8781 297.8762 312.3316 615.7964 618.3729 620.7681 624.9581 625.3962 630.6529 631.6214 631.9435 632.6492 634.0114 634.2577 635.1624 636.6294 636.6983 636.7974 637.4179 638.9502 641.9509 642.4787 647.6447 650.5725 657.3251 658.0426 707.9233 876.1626 1201.0337 1212.7679 1214.9212 1556.9294 1559.0461 1560.9313 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 -0.072706 -0.170875 -0.173748 -0.173316 -0.280058 -0.438829 -0.325799 -0.086485 0.075374 0.023941 -0.053539 -0.266161 -0.252459 -0.150366 0.368488 -0.085493 0.402777 0.510016 0.022007 -0.226201 -0.187405 -0.234053 0.274583 -0.121677 -0.222175 0.274803 -0.190925 -0.240377 -0.141049 -0.124035 -0.179627 0.095198 0.104678 0.100786 0.097147 0.104174 0.098867 0.090524 0.096527 0.144250 0.141349 0.139976 0.146086 0.158072 0.148303 0.157905 0.146522 0.159221 0.158033 0.157751 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 17.0727 9.1709 9.1737 9.1733 8.2801 8.4388 8.3258 7.0865 5.9246 5.9761 6.0535 6.2662 6.2525 6.1504 5.6315 6.0855 5.5972 5.4900 5.9780 6.2262 6.1874 6.2341 5.7254 6.1217 6.2222 5.7252 6.1909 6.2404 6.1410 6.1240 6.1796 0.9048 0.8953 0.8992 0.9029 0.8958 0.9011 0.9095 0.9035 0.8557 0.8587 0.8600 0.8539 0.8419 0.8517 0.8421 0.8535 0.8408 0.8420 0.8422 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 -0.0727 -0.1709 -0.1737 -0.1733 -0.2801 -0.4388 -0.3258 -0.0865 0.0754 0.0239 -0.0535 -0.2662 -0.2525 -0.1504 0.3685 -0.0855 0.4028 0.5100 0.0220 -0.2262 -0.1874 -0.2341 0.2746 -0.1217 -0.2222 0.2748 -0.1909 -0.2404 -0.1410 -0.1240 -0.1796 0.0952 0.1047 0.1008 0.0971 0.1042 0.0989 0.0905 0.0965 0.1443 0.1413 0.1400 0.1461 0.1581 0.1483 0.1579 0.1465 0.1592 0.1580 0.1578 1.2627 1.1329 1.1251 1.1257 2.1269 2.0571 2.0844 3.1138 3.8081 3.8106 3.8561 3.9050 3.9061 3.8556 4.1480 4.0104 3.7308 4.4851 3.6220 4.0733 3.9601 3.9547 3.7401 3.9102 3.9988 3.6959 3.9213 4.0126 3.8895 3.8835 3.9046 1.0292 1.0279 1.0006 1.0127 1.0013 1.0016 1.0054 1.0023 1.0293 1.0201 1.0078 1.0127 0.9893 1.0052 0.9972 1.0074 0.9901 0.9892 0.9904 1.2627 1.1329 1.1251 1.1257 2.1269 2.0571 2.0844 3.1138 3.8081 3.8106 3.8561 3.9050 3.9061 3.8556 4.1480 4.0104 3.7308 4.4851 3.6220 4.0733 3.9601 3.9547 3.7401 3.9102 3.9988 3.6959 3.9213 4.0126 3.8895 3.8835 3.9046 1.0292 1.0279 1.0006 1.0127 1.0013 1.0016 1.0054 1.0023 1.0293 1.0201 1.0078 1.0127 0.9893 1.0052 0.9972 1.0074 0.9901 0.9892 0.9904 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 1.1375 1.1280 1.1312 1.1323 1.1360 0.8559 1.8692 0.9823 0.9158 3.0575 0.9285 0.8735 0.9541 0.9453 0.8807 0.9834 1.0084 1.0121 1.0267 0.9879 0.9892 0.9863 0.9930 0.9834 0.9895 1.8371 0.9451 1.0171 0.8773 0.9338 0.9847 1.3927 1.3318 1.3656 0.9556 1.4311 0.9949 1.3793 1.4359 0.9833 0.9821 1.3549 1.3932 1.4222 0.9685 1.4262 0.9832 1.4094 0.9765 1.4085 0.9777 0.9816 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 -0.025134824 -1928.212455984258 37.27406 -36.71199 0.56206 -19.32619 19.16897 -0.15722 -7.73366 5.91397 -1.81969 1.91100 4.85737