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:2.8831,.5624,1.3572;4.8432,-2.7677,1.7452;4.6696,-1.1171,3.1149;5.5522,-.8148,1.1821;-1.7253,-1.4131,.295;-2.1018,-3.6047,.172;-2.3796,3.531,-.7705;-4.4083,-1.8233,-1.7531;.8147,-2.2361,-1.2991;1.1234,-1.7138,.0823;.1206,-2.8339,-.0939;.0827,-1.3157,-2.2449;1.8085,-3.1281,-2.0038;2.4126,-2.0155,.7095;-1.3288,-2.6815,.1415;3.2351,-1.1279,1.2566;-3.119,-1.1702,.4305;4.5764,-1.4648,1.8273;-3.2999,.303,.6907;-3.8256,-1.5611,-.7979;-2.758,1.2207,-.2019;-3.9912,.7283,1.8138;-2.8864,2.5762,.0571;-4.1394,2.0906,2.0423;-3.5841,3.0169,1.1772;-1.2843,3.2395,-1.5458;-.1093,2.76,-.9791;-1.3704,3.4841,-2.907;.9863,2.5215,-1.795;-.2616,3.2518,-3.7106;.916,2.7665,-3.1609;.7138,-.7337,.2958;.4601,-3.8299,.169;.8066,-.7862,-2.8669;-.5688,-1.8839,-2.9121;-.5203,-.5625,-1.7429;2.2603,-3.872,-1.3487;1.3154,-3.6677,-2.8141;2.6117,-2.5338,-2.4432;2.7334,-3.0504,.706;-3.5399,-1.7533,1.2549;-2.2418,.8774,-1.0906;-4.4086,.0079,2.5055;-4.6799,2.4342,2.9143;-3.6871,4.0783,1.3649;-.0445,2.5754,.0864;-2.2935,3.8572,-3.333;1.9021,2.1462,-1.3569;-.326,3.4457,-4.7735;1.7759,2.5821,-3.7914; 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 3256.3412357289 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 6.634e-06 Time for diagonalization 0.350 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.282 sec Total time needed 0.644 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:2.8831,.5624,1.3572;4.8432,-2.7677,1.7452;4.6696,-1.1171,3.1149;5.5522,-.8148,1.1821;-1.7253,-1.4131,.295;-2.1018,-3.6047,.172;-2.3796,3.531,-.7705;-4.4083,-1.8233,-1.7531;.8147,-2.2361,-1.2991;1.1234,-1.7138,.0823;.1206,-2.8339,-.0939;.0827,-1.3157,-2.2449;1.8085,-3.1281,-2.0038;2.4126,-2.0155,.7095;-1.3288,-2.6815,.1415;3.2351,-1.1279,1.2566;-3.119,-1.1702,.4305;4.5764,-1.4648,1.8273;-3.2999,.303,.6907;-3.8256,-1.561,-.7979;-2.758,1.2207,-.2019;-3.9912,.7283,1.8138;-2.8864,2.5762,.0571;-4.1394,2.0906,2.0424;-3.5841,3.0169,1.1772;-1.2843,3.2395,-1.5458;-.1093,2.76,-.9791;-1.3704,3.4841,-2.907;.9863,2.5215,-1.795;-.2616,3.2518,-3.7106;.916,2.7665,-3.1609;.7138,-.7337,.2958;.4601,-3.8299,.169;.8066,-.7862,-2.8669;-.5688,-1.8839,-2.9121;-.5203,-.5625,-1.7429;2.2603,-3.872,-1.3487;1.3154,-3.6677,-2.8141;2.6117,-2.5338,-2.4432;2.7334,-3.0504,.706;-3.5399,-1.7533,1.2549;-2.2418,.8774,-1.0906;-4.4086,.0079,2.5055;-4.6799,2.4342,2.9143;-3.6871,4.0783,1.3649;-.0445,2.5754,.0864;-2.2935,3.8572,-3.333;1.9021,2.1462,-1.3569;-.326,3.4457,-4.7735;1.7759,2.5821,-3.7914; 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:2.8831,.5624,1.3572;4.8432,-2.7677,1.7452;4.6696,-1.1171,3.1149;5.5522,-.8148,1.1821;-1.7253,-1.4131,.295;-2.1018,-3.6047,.172;-2.3796,3.531,-.7705;-4.4083,-1.8233,-1.7531;.8147,-2.2361,-1.2991;1.1234,-1.7138,.0823;.1206,-2.8339,-.0939;.0827,-1.3157,-2.2449;1.8085,-3.1281,-2.0038;2.4126,-2.0155,.7095;-1.3288,-2.6815,.1415;3.2351,-1.1279,1.2566;-3.119,-1.1702,.4305;4.5764,-1.4648,1.8273;-3.2999,.303,.6907;-3.8256,-1.5611,-.7979;-2.758,1.2207,-.2019;-3.9912,.7283,1.8138;-2.8864,2.5762,.0571;-4.1394,2.0906,2.0423;-3.5841,3.0169,1.1772;-1.2843,3.2395,-1.5458;-.1093,2.76,-.9791;-1.3704,3.4841,-2.907;.9863,2.5215,-1.795;-.2616,3.2518,-3.7106;.916,2.7665,-3.1609;.7138,-.7337,.2958;.4601,-3.8299,.169;.8066,-.7862,-2.8669;-.5688,-1.8839,-2.9121;-.5203,-.5625,-1.7429;2.2603,-3.872,-1.3487;1.3154,-3.6677,-2.8141;2.6117,-2.5338,-2.4432;2.7334,-3.0504,.706;-3.5399,-1.7533,1.2549;-2.2418,.8774,-1.0906;-4.4086,.0079,2.5055;-4.6799,2.4342,2.9143;-3.6871,4.0783,1.3649;-.0445,2.5754,.0864;-2.2935,3.8572,-3.333;1.9021,2.1462,-1.3569;-.326,3.4457,-4.7735;1.7759,2.5821,-3.7914; 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 2923 GEPOL Volume 3005.5528 GEPOL Surface-area 1669.9613 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.6s -1928.18804913 3256.34123573 -5184.52928486 -9118.68711282 3934.15782796 -0.03573679 -3849.79150602 1921.60345689 2.00342661 116.000075222831 116.000075222831 232.000150445662 -157.111599508572 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 -2765.6793 -675.6747 -675.5333 -675.5243 -525.3186 -524.6821 -523.4455 -392.8941 -286.8862 -283.7872 -282.8905 -281.8711 -281.7687 -281.5469 -281.2422 -280.7524 -280.7508 -280.5836 -280.4661 -280.4484 -280.0158 -280.0107 -279.9285 -279.9144 -279.8758 -279.8635 -279.8381 -279.7975 -279.7122 -279.3736 -279.3380 -260.9455 -199.7863 -199.5413 -199.5364 -39.4523 -36.9560 -36.8269 -34.2865 -33.0475 -31.6057 -28.4333 -28.0805 -27.5644 -27.2259 -26.7195 -25.4204 -24.6593 -24.1683 -23.7336 -23.6434 -23.4641 -23.1312 -22.7698 -22.0249 -21.3935 -20.6795 -20.3575 -20.0076 -19.7767 -19.6020 -19.4196 -19.4102 -19.0130 -18.2465 -18.0639 -17.9124 -17.7371 -16.9778 -16.6174 -16.5621 -16.2231 -16.0796 -16.0309 -15.9891 -15.8555 -15.7861 -15.4491 -15.2310 -15.0177 -14.9617 -14.8311 -14.7057 -14.6715 -14.5110 -14.3465 -14.2875 -14.2020 -14.0698 -13.9109 -13.7931 -13.6051 -13.4676 -13.3977 -13.1098 -13.0678 -13.0206 -12.8757 -12.7569 -12.6487 -12.6124 -12.4179 -12.2108 -12.0007 -11.9436 -11.7502 -11.6950 -11.6287 -11.5220 -10.9007 -10.4613 -9.7364 -9.5132 -9.4295 -9.3326 -8.5991 0.8945 1.1780 1.4027 1.6314 1.9220 1.9450 2.5148 2.6973 2.9574 3.2622 3.5747 3.7090 4.0178 4.1399 4.1952 4.2753 4.5654 4.7380 4.7978 4.8663 5.0817 5.2245 5.2869 5.3357 5.3799 5.6210 5.7480 5.8058 5.8829 6.0107 6.0490 6.1833 6.2467 6.3567 6.3609 6.5460 6.5603 6.6393 6.8107 6.8786 7.1692 7.2944 7.3165 7.3671 7.4965 7.5284 7.7062 7.7815 8.0163 8.0407 8.0895 8.1583 8.2186 8.2723 8.4425 8.4864 8.5919 8.6918 8.8099 8.9148 8.9677 9.1055 9.1705 9.2192 9.3903 9.4800 9.5642 9.6327 9.7869 9.9017 9.9963 10.0521 10.1283 10.3941 10.4469 10.5156 10.6758 10.8023 10.8415 10.9805 11.1058 11.1615 11.1894 11.3061 11.3695 11.4646 11.5186 11.6391 11.7066 11.7736 11.8521 11.9351 12.0416 12.2407 12.3036 12.4150 12.5072 12.6276 12.6905 12.7540 12.7788 12.9844 13.0430 13.1828 13.1963 13.3799 13.5155 13.5773 13.6273 13.7642 13.9115 13.9435 13.9864 14.0505 14.1743 14.1825 14.2839 14.4859 14.4981 14.6276 14.7040 14.7306 14.8040 14.9916 15.0126 15.1700 15.2855 15.3169 15.4226 15.5620 15.5815 15.7557 15.7811 15.9051 15.9733 16.0704 16.1179 16.2104 16.2855 16.4686 16.6126 16.6257 16.6998 16.7954 16.9965 17.0648 17.1513 17.2102 17.2787 17.3394 17.3952 17.6345 17.8517 17.9060 18.0301 18.2338 18.3644 18.4923 18.5881 18.7058 18.7788 18.8491 19.0165 19.0872 19.4182 19.5095 19.7673 19.8724 19.9593 20.1143 20.3267 20.3851 20.4190 20.6352 20.6663 20.7022 20.8556 21.0040 21.1015 21.1579 21.2121 21.3292 21.4052 21.6007 21.7175 21.8244 21.9604 22.0608 22.2302 22.3640 22.5326 22.5704 22.7106 22.9525 23.0318 23.1079 23.1316 23.3111 23.5073 23.6429 23.7333 23.7997 23.8746 23.9164 24.0446 24.2700 24.3454 24.4826 24.5734 24.7265 24.8057 25.0360 25.1371 25.1870 25.3359 25.4230 25.7523 25.7845 25.8352 26.0591 26.1288 26.2793 26.4255 26.4849 26.7142 26.8315 27.0056 27.0309 27.1993 27.2777 27.4002 27.5833 27.7083 27.7879 27.9177 28.0384 28.2105 28.3347 28.4408 28.4670 28.7153 28.8122 28.9651 29.2288 29.2939 29.4754 29.5240 29.7368 29.7427 29.8478 29.9228 30.1725 30.2634 30.4447 30.6399 30.7270 30.9259 30.9886 31.1359 31.1787 31.5169 31.5499 31.7039 31.8623 32.0221 32.0423 32.2052 32.4425 32.5250 32.6676 32.7293 32.8750 33.0000 33.0852 33.1846 33.3993 33.5309 33.7487 33.8756 33.9881 34.1740 34.2779 34.4212 34.5123 34.5367 34.7163 34.7926 34.9393 35.0247 35.0999 35.3269 35.7561 35.8677 35.9047 35.9412 36.2163 36.2773 36.4188 36.5480 36.6203 36.7465 36.8584 36.9865 37.1502 37.3178 37.3550 37.5582 37.6721 37.7200 37.7891 37.8921 37.9905 38.1845 38.3017 38.4778 38.5572 38.6085 38.7566 38.9058 38.9347 39.1168 39.1645 39.3091 39.3689 39.5828 39.6631 39.7991 39.9294 40.0481 40.2270 40.3745 40.6513 40.7444 40.9426 41.0805 41.2258 41.4230 41.6393 41.6789 41.7326 41.9783 42.1790 42.3246 42.5030 42.5535 42.6147 42.8205 43.0561 43.2538 43.2728 43.3702 43.5489 43.6555 43.7595 43.9228 44.0987 44.2023 44.4453 44.6413 44.6457 44.7945 44.9778 45.1234 45.2947 45.3923 45.5275 45.6929 45.8730 46.0013 46.1523 46.1874 46.4302 46.4775 46.5779 46.6832 46.8480 47.0330 47.1647 47.3314 47.4146 47.7247 47.7902 48.0343 48.1229 48.2890 48.4369 48.5616 48.7417 49.0614 49.1278 49.3473 49.4555 49.5841 49.8001 49.9153 50.2424 50.2792 50.4285 50.5536 50.7843 50.8750 50.9557 51.1702 51.2021 51.6863 51.7795 51.8133 52.2173 52.3583 52.4856 52.6244 52.7312 53.0035 53.1108 53.1757 53.2991 53.4178 53.5165 53.7727 53.9406 54.0912 54.2412 54.7498 55.0612 55.2041 55.3721 55.5182 55.6604 55.7611 56.0016 56.3723 56.4748 56.6940 56.7080 56.8318 56.9518 57.0805 57.2440 57.5674 57.7617 57.8450 58.1317 58.2878 58.5653 58.6538 58.8384 59.0695 59.2971 59.5578 59.6702 59.7993 60.0656 60.2773 60.3155 60.4441 60.6260 60.8580 60.9109 61.2248 61.3728 61.4660 61.5864 62.3235 62.4053 62.5179 62.8553 63.2407 63.3932 63.5541 63.7619 63.8369 64.1187 64.2761 64.6210 64.6963 64.7891 65.0755 65.2613 65.4022 65.5045 65.5581 65.7668 65.8288 66.0969 66.2662 66.6813 66.7657 66.8297 66.9542 67.0979 67.3873 67.4029 67.5054 67.7001 67.9017 68.0460 68.1765 68.2368 68.7313 68.8318 69.0982 69.4392 69.5170 69.6214 69.7531 69.9707 70.7700 71.0063 71.1243 71.2926 71.3028 71.9289 72.2993 72.4026 72.6440 72.8719 73.0031 73.0715 73.3402 73.5421 73.6548 73.8387 74.0305 74.2059 74.2825 74.7068 74.7810 75.0943 75.1678 75.3256 75.5856 75.6519 75.9066 76.2429 76.3923 76.5499 76.6521 76.7145 76.7954 77.0432 77.1915 77.4063 77.4869 77.7812 77.8064 78.1119 78.2582 78.3850 78.4682 78.6265 78.6820 78.8441 79.0712 79.1833 79.2986 79.3440 79.3998 79.6346 79.7819 79.9727 80.0384 80.0928 80.1713 80.2355 80.5648 80.6328 80.7879 80.9619 81.2257 81.3249 81.6591 81.7647 81.9838 82.0134 82.1650 82.2545 82.3508 82.5011 82.5844 82.6510 82.7800 82.8872 82.9944 83.1954 83.3617 83.5265 83.5863 83.7586 83.8444 83.9534 84.0683 84.1295 84.2908 84.5306 84.5918 84.8177 84.8895 85.0206 85.0670 85.1688 85.3054 85.4795 85.5551 85.6253 85.7505 85.7950 85.9874 86.0418 86.1407 86.2363 86.4384 86.5045 86.6161 86.7493 86.8679 86.9561 87.1294 87.1833 87.3848 87.5412 87.6648 87.7432 87.8111 87.9497 88.0364 88.1385 88.4053 88.5577 88.6969 88.7643 88.8752 88.9741 89.0940 89.1640 89.2775 89.3513 89.4952 89.5926 89.6496 89.7442 89.8594 90.0455 90.1543 90.2854 90.4175 90.5848 90.7355 90.7863 90.9217 91.0792 91.1672 91.2256 91.4747 91.5328 91.8619 92.0362 92.1133 92.3589 92.4082 92.5496 92.6064 92.7155 92.7686 92.9654 93.0680 93.1736 93.3811 93.5381 93.5466 93.6642 93.6887 93.7867 93.8964 93.9648 94.0453 94.3568 94.3753 94.5209 94.5647 94.7286 94.8606 95.0521 95.2019 95.2416 95.3552 95.4453 95.5402 95.8113 95.8302 95.9604 96.3153 96.3960 96.4878 96.5209 96.7534 96.9336 97.0565 97.0999 97.4107 97.4387 97.5971 97.6879 97.8211 97.9677 98.1416 98.4030 98.4945 98.5697 98.6256 98.7843 98.8244 99.0497 99.1515 99.3245 99.3705 99.5897 99.8929 100.0425 100.0921 100.3090 100.7185 100.9739 101.0766 101.3776 101.5943 101.7372 101.8961 101.9668 102.0737 102.3083 102.4758 102.6325 102.6730 102.7505 103.2301 103.4388 103.6916 103.9151 104.2265 104.3094 104.5392 104.7928 105.0000 105.0770 105.2605 105.2991 105.4452 105.4946 105.5239 105.6708 105.7021 105.9915 106.0871 106.1373 106.2957 106.3889 106.4197 106.6613 106.8842 106.9655 107.0701 107.1732 107.3537 107.3646 107.7715 107.9625 108.0110 108.1687 108.2574 108.4039 108.4840 108.8505 109.0864 109.1990 109.3731 109.4959 109.6338 109.6992 109.8501 109.9204 110.0173 110.1360 110.1668 110.3948 110.4919 110.6928 110.7988 110.9255 111.0417 111.1272 111.3695 111.4945 111.7484 111.8199 112.0641 112.0866 112.2710 112.3790 112.6011 112.7431 112.8864 113.1021 113.3047 113.4489 113.5108 113.7483 113.9385 114.1429 114.4187 114.5292 114.7811 114.9885 115.0586 115.2107 115.2894 115.3951 115.6171 115.8093 115.9788 116.0288 116.0359 116.4171 116.6203 116.6802 116.8421 117.0444 117.1917 117.4559 117.5216 117.6766 117.7891 117.9451 118.0875 118.1369 118.1982 118.4611 118.5618 118.6311 118.7719 118.9392 119.0483 119.1206 119.2302 119.4382 119.5325 119.8138 119.8463 120.0275 120.3075 120.4296 120.4953 120.7246 120.7328 121.0808 121.1501 121.2812 121.7337 121.7626 122.0855 122.2856 122.6621 122.7290 122.8468 122.9391 123.5653 123.7349 123.9279 124.0825 124.4259 124.7128 125.0576 125.2091 125.5838 125.7414 126.1326 126.2490 126.2960 126.6228 126.8049 126.8796 127.1034 127.3338 127.5104 128.1190 128.3892 128.6487 128.8611 129.0910 129.1322 129.3859 129.6142 129.7771 129.9598 130.1981 130.3624 130.3840 130.8044 130.9611 131.0908 131.2884 131.6472 131.7876 131.8843 131.9704 132.2596 132.4176 132.8199 132.9023 133.0466 133.3901 133.7862 133.8357 134.2814 134.6016 134.8374 135.0515 135.2331 135.5367 135.6751 136.3366 136.4258 136.6288 136.9234 137.1481 137.4854 137.9733 137.9944 138.2887 138.4286 138.6357 139.0652 139.2453 139.7158 139.7448 139.9979 140.0993 140.5101 140.7570 141.2282 141.2906 141.6233 142.0875 142.6900 142.7608 142.9372 143.0667 143.6928 143.9199 144.3303 144.3926 144.5208 144.5970 144.9662 145.3339 145.4883 145.5796 145.6682 145.9294 146.2362 146.4449 146.8399 146.9440 147.1724 147.6126 147.7572 147.9870 148.1794 148.2743 148.4578 148.6430 148.8894 149.0434 149.8399 150.0201 150.2910 150.4025 150.8091 150.8176 151.3362 151.5559 151.9712 152.3569 152.5345 152.8427 152.8936 152.9988 154.4018 154.5146 154.7399 154.8813 155.3652 155.7326 156.3363 156.5037 156.7464 156.9771 157.3655 157.7186 158.0894 158.4287 158.8759 159.0860 159.8636 159.9430 160.2295 160.6427 161.3245 161.5383 161.9920 162.4538 162.5233 162.7089 163.5484 164.4365 164.6495 166.7256 167.3454 168.5349 169.3504 170.1774 171.7369 172.5266 172.7514 172.9977 174.6664 175.7347 177.0710 177.2861 178.5960 181.0752 181.9418 185.4043 186.9316 187.2322 187.2713 187.4367 188.3095 188.3522 188.4745 188.7071 188.7785 188.8483 188.8581 189.0288 189.3499 189.8112 191.9518 192.0044 192.2555 192.4714 192.9571 193.6019 194.3515 194.9659 195.8838 195.9562 196.5616 198.3182 201.7284 202.7903 202.8679 203.9780 206.0575 206.4294 206.4384 207.6482 209.1088 209.4164 222.1962 223.4776 223.6069 227.0651 227.6624 228.4306 228.5161 229.1353 232.4835 233.1464 235.0437 238.6529 240.7499 241.4397 244.1954 245.5699 246.8886 247.3039 249.7882 251.2913 295.8807 298.6993 312.4651 616.1888 619.5939 620.1681 625.0488 626.3644 629.6119 630.8305 631.9320 632.3157 634.0968 634.3420 635.3744 636.6487 637.0965 637.1549 638.0964 640.3116 643.2505 643.9344 647.6502 650.8692 657.3341 658.1743 709.9187 878.1283 1198.5997 1212.5468 1215.0953 1557.0743 1559.0397 1560.7007 -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 -0.078052 -0.170796 -0.173365 -0.173410 -0.265955 -0.429312 -0.327021 -0.083747 0.117209 0.067035 -0.115881 -0.263075 -0.262148 -0.161610 0.403963 -0.064548 0.376042 0.507954 0.008073 -0.223806 -0.212044 -0.199319 0.241983 -0.111473 -0.226869 0.269803 -0.173073 -0.229344 -0.149315 -0.120227 -0.181653 0.079696 0.101159 0.101470 0.113152 0.049389 0.090783 0.101549 0.102295 0.144524 0.132218 0.172602 0.146341 0.158913 0.147445 0.152780 0.146161 0.146374 0.158375 0.158756 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 17.0781 9.1708 9.1734 9.1734 8.2660 8.4293 8.3270 7.0837 5.8828 5.9330 6.1159 6.2631 6.2621 6.1616 5.5960 6.0645 5.6240 5.4920 5.9919 6.2238 6.2120 6.1993 5.7580 6.1115 6.2269 5.7302 6.1731 6.2293 6.1493 6.1202 6.1817 0.9203 0.8988 0.8985 0.8868 0.9506 0.9092 0.8985 0.8977 0.8555 0.8678 0.8274 0.8537 0.8411 0.8526 0.8472 0.8538 0.8536 0.8416 0.8412 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 -0.0781 -0.1708 -0.1734 -0.1734 -0.2660 -0.4293 -0.3270 -0.0837 0.1172 0.0670 -0.1159 -0.2631 -0.2621 -0.1616 0.4040 -0.0645 0.3760 0.5080 0.0081 -0.2238 -0.2120 -0.1993 0.2420 -0.1115 -0.2269 0.2698 -0.1731 -0.2293 -0.1493 -0.1202 -0.1817 0.0797 0.1012 0.1015 0.1132 0.0494 0.0908 0.1015 0.1023 0.1445 0.1322 0.1726 0.1463 0.1589 0.1474 0.1528 0.1462 0.1464 0.1584 0.1588 1.2595 1.1331 1.1284 1.1250 2.1637 2.0756 2.0872 3.1067 3.7195 3.8040 3.9300 3.9320 3.9128 3.8565 4.1875 3.9672 3.7949 4.4878 3.7076 4.0145 3.9239 3.9502 3.8048 3.9063 4.0060 3.7125 3.8652 4.0096 3.8289 3.8789 3.9097 1.0327 1.0301 1.0013 1.0054 1.0126 1.0060 1.0009 1.0006 1.0147 1.0195 0.9859 1.0021 0.9892 1.0058 0.9997 1.0068 1.0050 0.9884 0.9905 1.2595 1.1331 1.1284 1.1250 2.1637 2.0756 2.0872 3.1067 3.7195 3.8040 3.9300 3.9320 3.9128 3.8565 4.1875 3.9672 3.7949 4.4878 3.7076 4.0145 3.9239 3.9502 3.8048 3.9063 4.0060 3.7125 3.8652 4.0096 3.8289 3.8789 3.9097 1.0327 1.0301 1.0013 1.0054 1.0126 1.0060 1.0009 1.0006 1.0147 1.0195 0.9859 1.0021 0.9892 1.0058 0.9997 1.0068 1.0050 0.9884 0.9905 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.1389 1.1278 1.1338 1.1319 1.1507 0.9179 1.9051 0.9899 0.9062 3.0485 0.8438 0.8882 0.9609 0.9574 0.9489 1.0122 0.9932 1.0436 0.9963 0.9944 0.9961 0.9801 0.9866 0.9873 0.9924 1.8170 0.9462 1.0238 0.8941 0.9128 0.9755 1.3332 1.3838 1.4088 0.9357 1.4203 0.9779 1.3670 1.4541 0.9815 0.9825 1.3576 1.4080 1.3753 0.9781 1.4163 0.9842 1.4034 0.9864 1.4121 0.9784 0.9857 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 -0.028774623 -1928.216823754425 -26.07826 26.80338 0.72512 4.12455 -3.62701 0.49754 -25.05529 25.41953 0.36425 0.95185 2.41941