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 50 51 52 53 54 55 56 Cl Cl 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 C C C C C H H H H H H H H H H H H H H H H H H H H H H 1 1 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 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 488.2089031999996 AuxInfo=1/0/N:11,12,35,33,34,31,32,19,20,25,22,23,28,24,13,21,17,18,26,30,9,15,29,27,16,10,14,8,2,1,3,7,5,6,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,17.3,18.3,19.3,20.3,22.3,23.3,24.3,27.3,32.1,33.1/rA:57nClClFOO1ON1CCCCCC3C3C3CC3C3C3C3C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s13;s4;s15;s16;s17;s17;s7s16;s19;s20;s18;s18;s2s22s23;s6s24;s25;s3s27s28;s6;s30;s30;s31;s32;s33s34;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s24;s22;s23;s25;s28;s31;s32;s33;s34;s35;/rC:1.6565,3.4123,.4745;8.3445,4.4223,2.056;-5.8089,-3.1133,-1.7663;-1.7157,.717,1.1293;-1.3725,1.1777,-1.0304;-3.7153,-3.7619,-.1331;-4.0914,1.1544,3.363;1.0811,-.7881,-.3453;1.5237,.5986,-.6771;.4372,.4104,.345;1.9432,-1.6493,.5436;.3086,-1.5717,-1.3771;2.832,1.1367,-.2462;-.9399,.8173,.0329;3.0201,2.3434,.2871;-3.0983,.9663,.9527;4.3126,2.8778,.7414;-3.8049,-.1382,.1981;5.2735,2.0125,1.268;4.6208,4.2348,.6514;-3.6414,1.0707,2.3096;6.5134,2.4789,1.6687;5.8568,4.7143,1.0516;-3.4006,-1.4606,.3438;-4.8772,.1767,-.621;6.7981,3.8305,1.5537;-4.0741,-2.4642,-.328;-5.5641,-.8263,-1.2898;-5.1591,-2.1326,-1.1331;-3.3056,-4.5193,-1.1994;-2.7899,-3.97,-2.3648;-3.4007,-5.8961,-1.0432;-2.3809,-4.8191,-3.3855;-2.9821,-6.7286,-2.0687;-2.4756,-6.1958,-3.2476;1.1817,.9698,-1.6409;.7144,.5301,1.3867;2.464,-1.0739,1.31;2.6947,-2.1805,-.044;1.334,-2.3987,1.0526;-.2821,-.9413,-2.0398;-.3644,-2.2861,-.8988;.9986,-2.141,-2.0028;3.7101,.5192,-.4038;-3.2705,1.927,.4547;5.0507,.9605,1.3893;3.8993,4.9377,.2568;-2.5676,-1.7308,.9816;7.2423,1.7928,2.0784;6.0782,5.7697,.9673;-5.1872,1.2068,-.7426;-6.407,-.5929,-1.9269;-2.6976,-2.8981,-2.4899;-3.8032,-6.3077,-.1259;-1.9834,-4.3911,-4.2968;-3.0614,-7.8012,-1.9463;-2.1572,-6.8483,-4.0497; 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 1961 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 264 Dim 1415 ENuc 3733.1846691914 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 7.201e-06 Time for diagonalization 0.709 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.606 sec Total time needed 1.338 sec 17 17 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 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 488.2089031999996 AuxInfo=1/0/N:11,12,35,33,34,31,32,19,20,25,22,23,28,24,13,21,17,18,26,30,9,15,29,27,16,10,14,8,2,1,3,7,5,6,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,17.3,18.3,19.3,20.3,22.3,23.3,24.3,27.3,32.1,33.1/rA:57nClClFOO1ON1CCCCCC3C3C3CC3C3C3C3C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s13;s4;s15;s16;s17;s17;s7s16;s19;s20;s18;s18;s2s22s23;s6s24;s25;s3s27s28;s6;s30;s30;s31;s32;s33s34;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s24;s22;s23;s25;s28;s31;s32;s33;s34;s35;/rC:1.6565,3.4123,.4745;8.3445,4.4223,2.056;-5.8089,-3.1133,-1.7663;-1.7157,.717,1.1293;-1.3725,1.1777,-1.0304;-3.7153,-3.7619,-.1331;-4.0914,1.1544,3.363;1.0811,-.7881,-.3453;1.5237,.5986,-.6771;.4372,.4104,.345;1.9432,-1.6493,.5436;.3086,-1.5717,-1.3771;2.832,1.1367,-.2462;-.9399,.8173,.0329;3.0201,2.3434,.2871;-3.0983,.9663,.9527;4.3126,2.8778,.7414;-3.8049,-.1382,.1981;5.2735,2.0125,1.268;4.6208,4.2348,.6514;-3.6414,1.0707,2.3096;6.5134,2.4789,1.6687;5.8568,4.7143,1.0516;-3.4006,-1.4606,.3438;-4.8772,.1767,-.621;6.7981,3.8305,1.5537;-4.0741,-2.4642,-.328;-5.5641,-.8263,-1.2898;-5.1591,-2.1327,-1.1331;-3.3056,-4.5193,-1.1994;-2.7899,-3.97,-2.3648;-3.4007,-5.8961,-1.0432;-2.3809,-4.8191,-3.3855;-2.9821,-6.7286,-2.0687;-2.4756,-6.1958,-3.2476;1.1817,.9698,-1.6409;.7144,.5301,1.3867;2.464,-1.0739,1.31;2.6947,-2.1805,-.044;1.334,-2.3987,1.0526;-.2821,-.9413,-2.0398;-.3644,-2.2861,-.8988;.9986,-2.141,-2.0028;3.7101,.5192,-.4038;-3.2705,1.927,.4547;5.0507,.9605,1.3893;3.8993,4.9377,.2568;-2.5676,-1.7308,.9816;7.2423,1.7928,2.0784;6.0782,5.7697,.9673;-5.1872,1.2068,-.7426;-6.407,-.5929,-1.9269;-2.6976,-2.8981,-2.4899;-3.8032,-6.3077,-.1259;-1.9834,-4.3911,-4.2968;-3.0614,-7.8012,-1.9463;-2.1572,-6.8483,-4.0497; 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" 488.2089031999996 AuxInfo=1/0/N:11,12,35,33,34,31,32,19,20,25,22,23,28,24,13,21,17,18,26,30,9,15,29,27,16,10,14,8,2,1,3,7,5,6,4/E:(1,2)(4,5)(6,7)(8,9)(11,12)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,17.3,18.3,19.3,20.3,22.3,23.3,24.3,27.3,32.1,33.1/rA:57nClClFOO1ON1CCCCCC3C3C3CC3C3C3C3C2C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;s8;s8s9;s8;s8;s9;s4s5s10;s1s13;s4;s15;s16;s17;s17;s7s16;s19;s20;s18;s18;s2s22s23;s6s24;s25;s3s27s28;s6;s30;s30;s31;s32;s33s34;s9;s10;s11;s11;s11;s12;s12;s12;s13;s16;s19;s20;s24;s22;s23;s25;s28;s31;s32;s33;s34;s35;/rC:1.6565,3.4123,.4745;8.3445,4.4223,2.056;-5.8089,-3.1133,-1.7663;-1.7157,.717,1.1293;-1.3725,1.1777,-1.0304;-3.7153,-3.7619,-.1331;-4.0914,1.1544,3.363;1.0811,-.7881,-.3453;1.5237,.5986,-.6771;.4372,.4104,.345;1.9432,-1.6493,.5436;.3086,-1.5717,-1.3771;2.832,1.1367,-.2462;-.9399,.8173,.0329;3.0201,2.3434,.2871;-3.0983,.9663,.9527;4.3126,2.8778,.7414;-3.8049,-.1382,.1981;5.2735,2.0125,1.268;4.6208,4.2348,.6514;-3.6414,1.0707,2.3096;6.5134,2.4789,1.6687;5.8568,4.7143,1.0516;-3.4006,-1.4606,.3438;-4.8772,.1767,-.621;6.7981,3.8305,1.5537;-4.0741,-2.4642,-.328;-5.5641,-.8263,-1.2898;-5.1591,-2.1326,-1.1331;-3.3056,-4.5193,-1.1994;-2.7899,-3.97,-2.3648;-3.4007,-5.8961,-1.0432;-2.3809,-4.8191,-3.3855;-2.9821,-6.7286,-2.0687;-2.4756,-6.1958,-3.2476;1.1817,.9698,-1.6409;.7144,.5301,1.3867;2.464,-1.0739,1.31;2.6947,-2.1805,-.044;1.334,-2.3987,1.0526;-.2821,-.9413,-2.0398;-.3644,-2.2861,-.8988;.9986,-2.141,-2.0028;3.7101,.5192,-.4038;-3.2705,1.927,.4547;5.0507,.9605,1.3893;3.8993,4.9377,.2568;-2.5676,-1.7308,.9816;7.2423,1.7928,2.0784;6.0782,5.7697,.9673;-5.1872,1.2068,-.7426;-6.407,-.5929,-1.9269;-2.6976,-2.8981,-2.4899;-3.8032,-6.3077,-.1259;-1.9834,-4.3911,-4.2968;-3.0614,-7.8012,-1.9463;-2.1572,-6.8483,-4.0497; 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 3278 GEPOL Volume 3546.0435 GEPOL Surface-area 1934.2082 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 1.0s -2381.01302225 3733.18466919 -6114.19769144 -10685.60819105 4571.41049960 -0.03713545 -4754.51039907 2373.49737681 2.00316649 131.999961927320 131.999961927320 263.999923854640 -182.582531692132 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 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.3315 -2765.2788 -675.1743 -525.2356 -524.8258 -523.4249 -392.9357 -283.6829 -282.9003 -282.3772 -281.8659 -281.6425 -281.5848 -281.5724 -281.2718 -280.6232 -280.5233 -280.4842 -280.2467 -280.2064 -280.1850 -280.1825 -280.1776 -280.1166 -280.1038 -280.0995 -280.0977 -280.0833 -279.8495 -279.8348 -279.7852 -279.7308 -279.6197 -279.3165 -279.2694 -260.6047 -260.5530 -199.4372 -199.3833 -199.2062 -199.1972 -199.1600 -199.1422 -37.0953 -34.1829 -33.1757 -31.5960 -28.4714 -27.9722 -27.7118 -27.4335 -27.2030 -26.7056 -26.1078 -25.4884 -24.4598 -24.2724 -23.9125 -23.7325 -23.6621 -23.4608 -23.2135 -22.8494 -21.9578 -21.3339 -20.8265 -20.4972 -20.0753 -19.9477 -19.7599 -19.4573 -18.9092 -18.5278 -18.2551 -17.8236 -17.7627 -17.5496 -17.3793 -16.9998 -16.9526 -16.6595 -16.2832 -16.1706 -16.0840 -15.9289 -15.7801 -15.6887 -15.5017 -15.2145 -14.9728 -14.9208 -14.7917 -14.6916 -14.5896 -14.4907 -14.4040 -14.3130 -14.1169 -13.9956 -13.8729 -13.7571 -13.6903 -13.6457 -13.3182 -13.1792 -13.1207 -13.0106 -12.9203 -12.8985 -12.7291 -12.5505 -12.4587 -12.4402 -12.3477 -12.3321 -12.0736 -11.9923 -11.9317 -11.8390 -11.4939 -11.3609 -11.2047 -10.8681 -10.5761 -10.2630 -9.8941 -9.7173 -9.7030 -9.5095 -9.3743 -8.6640 -8.5542 0.5781 1.0203 1.2559 1.3523 1.6206 1.8797 1.9836 2.4352 2.6424 2.9847 3.0365 3.1854 3.3986 3.5897 3.6814 3.9034 4.0409 4.1698 4.2988 4.4166 4.4715 4.5596 4.6478 4.7708 4.8452 4.9448 5.0152 5.1536 5.2244 5.4140 5.4277 5.7100 5.7206 5.8035 5.9476 6.0579 6.1138 6.1776 6.2415 6.3410 6.4119 6.5411 6.6586 6.6972 6.7819 6.8702 6.9309 7.0351 7.1801 7.2575 7.3324 7.4566 7.5160 7.6747 7.7517 7.8454 7.8635 7.9452 8.0640 8.1066 8.1746 8.2421 8.2981 8.3226 8.4243 8.4791 8.5711 8.6434 8.6741 8.7910 8.8276 8.9671 9.0008 9.1859 9.2269 9.2887 9.4004 9.6053 9.6698 9.7144 9.8147 9.8745 10.0119 10.0612 10.1930 10.2311 10.2913 10.3373 10.4986 10.5394 10.5861 10.6620 10.8387 10.9481 10.9883 11.0256 11.1090 11.2141 11.3120 11.3450 11.4617 11.4775 11.5591 11.6541 11.6922 11.8156 11.8620 11.9945 12.0688 12.0815 12.1687 12.2164 12.2389 12.3025 12.3363 12.4087 12.5131 12.6664 12.8155 12.9034 12.9277 12.9682 13.0695 13.1419 13.2402 13.2897 13.3687 13.3941 13.5471 13.6828 13.7442 13.8088 13.8879 13.8932 13.9854 14.0235 14.0626 14.1287 14.2356 14.2918 14.3393 14.4123 14.4750 14.5468 14.6842 14.7778 14.8937 14.9574 14.9989 15.0225 15.1188 15.1413 15.2780 15.3358 15.3780 15.5111 15.6085 15.6955 15.7979 15.9039 15.9184 15.9602 16.0833 16.1355 16.2619 16.3550 16.4405 16.5068 16.6030 16.6683 16.7701 16.8124 16.8773 16.9492 17.0745 17.2448 17.2821 17.3658 17.5252 17.6425 17.6932 17.7942 17.8960 17.9893 18.2437 18.3241 18.3866 18.4449 18.5353 18.7064 18.8378 18.9790 19.1375 19.2548 19.3074 19.4222 19.4971 19.5591 19.8043 19.8432 19.9390 20.1189 20.2508 20.2953 20.3964 20.5436 20.5941 20.6638 20.7459 20.8384 20.9002 20.9816 21.0194 21.1263 21.1718 21.3180 21.3594 21.4602 21.6698 21.6773 21.7777 21.9000 22.0035 22.2055 22.3640 22.3913 22.4877 22.5945 22.7284 22.8179 22.8821 22.9833 23.1279 23.2530 23.3343 23.4159 23.4487 23.6849 23.7566 23.8230 23.9409 24.0217 24.1611 24.3821 24.4605 24.5346 24.7178 24.7470 24.7953 24.9628 25.0546 25.1294 25.2707 25.3493 25.4136 25.6723 25.7494 25.9306 25.9943 26.1420 26.2902 26.3788 26.4766 26.5338 26.6222 26.6797 26.7598 26.9399 27.0930 27.2663 27.2912 27.4669 27.5861 27.6330 28.0396 28.0735 28.1077 28.4083 28.4545 28.6056 28.6969 28.7894 28.8946 29.0440 29.0956 29.1435 29.1807 29.2491 29.3525 29.4878 29.6128 29.6318 29.7224 29.8242 29.9378 30.0892 30.2959 30.4821 30.5211 30.6146 30.7762 30.8702 30.9382 31.1322 31.2450 31.3987 31.4820 31.5582 31.7116 31.8788 32.0011 32.0437 32.3115 32.3426 32.4649 32.6293 32.6518 32.7884 32.8577 32.9917 33.0417 33.0847 33.2779 33.5177 33.5378 33.6384 33.7378 33.9129 33.9618 33.9841 34.2917 34.4148 34.4753 34.6042 34.8100 34.8156 34.8401 35.1473 35.2960 35.3639 35.4068 35.5412 35.6811 35.8433 35.9279 36.0117 36.0713 36.2969 36.4690 36.5498 36.6509 36.7733 36.8158 36.8819 37.0672 37.1624 37.1920 37.2828 37.3439 37.5954 37.7990 37.8718 37.9047 37.9499 38.0675 38.2086 38.2187 38.3129 38.3156 38.4583 38.5900 38.6993 38.7606 38.8625 38.9390 39.0112 39.0853 39.1367 39.2381 39.4368 39.6282 39.6704 39.7328 39.9974 40.0066 40.1374 40.3043 40.4038 40.4886 40.6413 40.7914 40.8625 41.0305 41.2346 41.3481 41.4146 41.4700 41.6692 41.9638 42.0674 42.1822 42.2632 42.3225 42.4327 42.5240 42.5972 42.7946 42.9373 43.0654 43.1671 43.2701 43.2847 43.4763 43.5065 43.5934 43.6743 43.8210 44.0237 44.0320 44.1725 44.2613 44.5083 44.6600 44.7244 44.7365 44.8617 44.9475 45.1470 45.2120 45.3721 45.5247 45.6048 45.6779 45.8495 45.9109 46.0363 46.2255 46.3276 46.3453 46.4185 46.5800 46.7354 46.8049 46.9278 47.1396 47.2365 47.4015 47.4729 47.6847 47.8120 47.9047 47.9878 48.1303 48.2801 48.4756 48.6042 48.6448 48.7783 48.8471 48.9596 49.0652 49.2223 49.3764 49.5722 49.6877 49.7900 49.9817 50.0505 50.1997 50.3116 50.7982 50.9359 51.1170 51.2829 51.4072 51.5461 51.6082 51.6625 51.8400 51.9608 52.1212 52.1871 52.2778 52.5305 52.6902 52.7579 52.8647 52.8814 52.9600 53.1141 53.4795 53.7998 53.9027 53.9825 54.1431 54.3639 54.7776 54.8049 54.9430 55.1494 55.2812 55.4987 55.5405 55.7488 55.9306 56.0729 56.1721 56.3990 56.5006 56.6077 56.7500 56.9369 56.9807 57.1655 57.3730 57.4538 57.5139 57.7119 57.7341 57.9475 58.0770 58.1851 58.3995 58.4984 58.5713 58.7647 59.0868 59.1260 59.4228 59.4381 59.5314 59.5668 59.7069 59.8566 60.0394 60.1351 60.3304 60.6412 60.9228 61.0092 61.2331 61.4615 61.6067 61.9807 62.2335 62.4640 62.5400 62.6720 62.6966 62.8291 62.8675 62.9981 63.0534 63.5242 63.6140 63.7526 63.9756 64.1053 64.2682 64.3608 64.4812 64.5725 64.7455 64.8343 64.8739 65.0081 65.1018 65.1440 65.2669 65.4606 65.8065 65.8721 65.9615 66.0461 66.2837 66.4129 66.5774 66.8587 66.9203 67.1325 67.2715 67.3155 67.5381 67.6060 67.8987 68.1244 68.1906 68.3445 68.4742 68.7744 69.0058 69.1535 69.2661 69.4688 69.5236 69.8441 69.9965 70.2366 70.4529 70.9536 71.1706 71.3677 71.7005 71.9402 72.0392 72.1579 72.3583 72.5781 72.8947 73.1702 73.2559 73.4515 73.6867 73.9094 73.9806 74.2514 74.4049 74.6902 74.8558 74.9033 74.9934 75.1611 75.4463 75.8072 75.9717 76.0839 76.1919 76.4055 76.4691 76.4989 76.6569 76.7527 77.0376 77.0765 77.2672 77.3260 77.4108 77.4661 77.6448 77.7134 78.0587 78.0925 78.2066 78.2595 78.4133 78.5775 78.7187 78.8104 78.9145 79.0345 79.1693 79.2692 79.3994 79.5217 79.5549 79.6708 79.7433 79.8399 79.9450 79.9910 80.1251 80.1297 80.2979 80.5287 80.5809 80.5980 80.8305 80.9460 81.0704 81.2200 81.2427 81.5408 81.5625 81.7880 81.8475 81.9285 82.0421 82.1305 82.1338 82.3294 82.4158 82.5361 82.5832 82.7644 82.8685 82.9366 82.9685 83.0354 83.2211 83.3868 83.5110 83.5870 83.7743 83.8150 83.9016 83.9943 84.1127 84.2294 84.4026 84.4589 84.6002 84.7301 84.7693 84.8589 84.9341 85.1213 85.1973 85.3264 85.4398 85.5441 85.5759 85.7033 85.7258 85.7724 85.8803 85.9727 86.0919 86.2180 86.2531 86.3451 86.4985 86.6321 86.7466 86.8267 87.0077 87.2055 87.4984 87.5404 87.7481 87.8577 87.8633 87.9912 88.0981 88.1967 88.4104 88.4684 88.5185 88.6112 88.6639 88.8649 88.9032 88.9620 89.1548 89.1769 89.3544 89.4710 89.5178 89.5803 89.6431 89.8094 89.8661 89.9780 90.0365 90.0816 90.1731 90.3614 90.4090 90.4803 90.7127 90.8212 90.8289 90.8970 90.9664 91.2615 91.4129 91.4393 91.5221 91.7544 91.7597 91.8409 92.0429 92.1176 92.3447 92.4662 92.5211 92.6090 92.6583 92.7013 92.8196 92.9214 92.9620 92.9912 93.1863 93.2759 93.3165 93.4085 93.4762 93.5451 93.6459 93.6777 93.7984 93.9471 94.0156 94.2513 94.3152 94.4935 94.6349 94.6896 94.9156 94.9652 95.0509 95.1653 95.2457 95.2865 95.4335 95.6872 95.7279 95.8755 95.9573 96.1052 96.1642 96.3736 96.5409 96.7267 96.8707 96.9264 97.0280 97.2255 97.3293 97.3648 97.4950 97.5891 97.6589 97.7712 97.9639 98.0287 98.1769 98.3006 98.3272 98.4712 98.6427 98.7692 98.8315 98.9605 99.0371 99.1660 99.2152 99.3269 99.3889 99.5458 99.7239 99.8708 99.9867 100.0617 100.3402 100.4153 100.6684 100.7243 100.8850 100.9389 101.0974 101.3923 101.6068 101.7603 101.8289 102.1016 102.2102 102.2813 102.3718 102.7385 102.8428 102.8795 102.9523 103.1444 103.2770 103.5628 103.6327 103.7787 104.1301 104.5334 104.5984 104.6765 104.7954 104.9281 104.9746 105.0721 105.2734 105.3315 105.5330 105.5857 105.6225 105.7245 105.7325 105.9665 106.0339 106.0629 106.2541 106.3335 106.3813 106.4280 106.6476 106.7890 106.8929 107.0330 107.0765 107.1549 107.3645 107.5236 107.5939 107.6918 108.0063 108.0261 108.2982 108.4753 108.5997 108.7366 108.8378 109.0096 109.1898 109.3730 109.5575 109.7217 109.7782 109.7940 109.9378 110.0914 110.1950 110.2854 110.3445 110.3989 110.5746 110.6195 110.8784 111.1053 111.2438 111.5047 111.7826 111.8040 111.9443 112.1339 112.2581 112.3362 112.5632 112.5689 112.8612 113.1695 113.2449 113.2775 113.5064 113.5996 113.7970 113.8674 113.9487 114.1250 114.1896 114.3087 114.3941 114.5217 114.6035 114.8663 114.9375 114.9748 115.1156 115.2923 115.6105 115.7341 115.8187 115.9202 116.0338 116.1695 116.3881 116.5515 116.8040 116.8565 116.9119 116.9675 117.0798 117.3259 117.4883 117.5685 117.6468 117.7450 117.8734 117.9343 118.0238 118.1500 118.1913 118.2989 118.3860 118.4976 118.5996 118.7785 118.8713 118.9011 119.0548 119.1179 119.3440 119.5279 119.5999 119.7367 119.9248 120.1666 120.2274 120.3765 120.4006 120.4650 120.5988 120.9928 121.0873 121.1256 121.4270 121.5128 121.6052 121.7683 121.9379 122.0299 122.4383 122.5050 122.6860 122.8434 123.0264 123.0757 123.3724 123.4728 123.6960 124.1496 124.2295 124.7201 124.7761 125.0475 125.3035 125.5757 125.6961 125.9642 126.1504 126.3286 126.5012 126.6136 126.7415 126.9060 127.0560 127.1872 127.3446 127.5227 127.8575 128.1218 128.3286 128.5277 128.7981 129.1144 129.3043 129.3980 129.5046 129.6349 129.7893 130.0298 130.1023 130.2820 130.3411 130.6912 130.8226 130.8862 131.0527 131.2003 131.2529 131.5555 131.6120 131.7823 131.8615 131.8911 131.9238 132.0574 132.2122 132.6569 132.8610 133.0028 133.0837 133.4904 133.8933 134.0905 134.1583 134.1813 134.6502 134.8495 134.9352 135.0879 135.2395 135.4497 135.8575 136.0998 136.3053 137.0919 137.5313 137.7421 137.8669 138.1289 138.1893 138.3410 138.3980 138.5672 138.8359 138.9360 139.1562 139.3137 139.5491 139.9737 140.3264 140.4988 140.6043 141.0996 141.2858 141.3806 141.8887 142.3166 142.5410 142.6373 142.9873 143.1563 143.4527 143.5708 143.8382 144.1634 144.3891 144.4749 144.5372 144.8793 144.9922 145.1306 145.4606 145.7286 145.8777 146.0880 146.2745 146.5127 146.8674 147.2678 147.3832 147.6147 147.9026 147.9718 148.0785 148.1557 148.2189 148.5239 149.1041 149.2988 149.5019 149.6640 150.0079 150.1212 150.2762 150.5222 150.6788 150.7494 150.9061 151.1214 151.7223 151.9613 152.3254 152.8465 152.9521 153.0585 153.4979 153.8825 154.1666 154.6779 154.9289 155.0225 155.2387 155.3635 155.7830 156.5012 156.6519 156.7677 157.2354 157.3896 157.6133 157.8202 158.0706 158.5503 158.9643 159.4720 159.7260 159.7627 159.8915 160.2162 160.3654 160.5741 160.8060 161.2730 161.5470 162.2550 162.5745 163.1647 163.5219 163.8624 164.8952 165.7529 167.6407 168.3350 169.5254 170.6733 171.0455 171.1268 172.4173 173.2888 174.7389 175.7405 176.8572 177.8959 178.9572 179.0653 180.1946 182.2522 183.0605 185.8122 186.5591 187.3220 188.6934 189.1104 189.3848 189.9803 191.3613 192.1862 192.7237 193.3180 195.2392 196.1196 196.2492 198.9003 199.7167 201.1269 204.8726 206.2121 206.7631 207.2168 212.5673 221.5748 222.8592 223.4288 223.5958 224.4943 224.8430 227.2496 227.7447 229.4046 229.5711 230.2476 235.9585 241.1928 248.0185 249.0041 294.8646 295.8152 297.4532 300.2442 312.5438 312.7649 613.6237 617.9186 619.4488 619.5314 626.0149 626.2544 629.5494 630.9979 631.3183 632.1808 632.7244 633.3511 634.2563 635.0303 635.1840 635.3511 636.6927 636.8766 637.2692 637.6030 641.3357 641.7183 642.8567 648.2712 651.1627 655.2183 655.9069 658.0322 709.0172 713.0186 876.1491 1201.2197 1213.4013 1214.9727 1564.5797 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 50 51 52 53 54 55 56 Cl Cl 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 C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.106558 -0.091604 -0.206967 -0.280595 -0.428339 -0.323213 -0.086400 0.148035 -0.034437 -0.136569 -0.280420 -0.290846 -0.186883 0.371165 0.129043 0.402147 0.041490 0.002269 -0.201228 -0.171292 -0.227440 -0.149739 -0.164459 -0.207986 -0.161913 0.109162 0.148685 -0.160398 0.271582 0.308274 -0.203287 -0.246286 -0.162273 -0.122977 -0.183215 0.109498 0.112008 0.091700 0.102256 0.100913 0.097504 0.092693 0.105240 0.141431 0.145344 0.146937 0.137475 0.144209 0.142680 0.142708 0.147967 0.152700 0.152683 0.144844 0.157768 0.156945 0.157967 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 Cl Cl 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 C C C C C H H H H H H H H H H H H H H H H H H H H H H 17.1066 17.0916 9.2070 8.2806 8.4283 8.3232 7.0864 5.8520 6.0344 6.1366 6.2804 6.2908 6.1869 5.6288 5.8710 5.5979 5.9585 5.9977 6.2012 6.1713 6.2274 6.1497 6.1645 6.2080 6.1619 5.8908 5.8513 6.1604 5.7284 5.6917 6.2033 6.2463 6.1623 6.1230 6.1832 0.8905 0.8880 0.9083 0.8977 0.8991 0.9025 0.9073 0.8948 0.8586 0.8547 0.8531 0.8625 0.8558 0.8573 0.8573 0.8520 0.8473 0.8473 0.8552 0.8422 0.8431 0.8420 17.0000 17.0000 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 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 1.0000 1.0000 1.0000 -0.1066 -0.0916 -0.2070 -0.2806 -0.4283 -0.3232 -0.0864 0.1480 -0.0344 -0.1366 -0.2804 -0.2908 -0.1869 0.3712 0.1290 0.4021 0.0415 0.0023 -0.2012 -0.1713 -0.2274 -0.1497 -0.1645 -0.2080 -0.1619 0.1092 0.1487 -0.1604 0.2716 0.3083 -0.2033 -0.2463 -0.1623 -0.1230 -0.1832 0.1095 0.1120 0.0917 0.1023 0.1009 0.0975 0.0927 0.1052 0.1414 0.1453 0.1469 0.1375 0.1442 0.1427 0.1427 0.1480 0.1527 0.1527 0.1448 0.1578 0.1569 0.1580 1.2304 1.2139 1.0850 2.1106 2.0808 2.0737 3.1131 3.7299 3.8825 3.7944 3.9106 3.8961 3.8322 4.2005 3.8119 3.7163 3.6243 3.6355 4.0007 3.9894 4.0716 3.9970 4.0274 3.9734 3.9608 3.8484 3.7850 3.9083 3.9729 3.6384 3.8677 3.9994 3.9246 3.8971 3.9040 1.0249 1.0262 1.0021 1.0001 1.0038 1.0135 0.9995 1.0036 0.9988 1.0153 1.0011 1.0238 1.0211 1.0074 1.0077 0.9998 0.9976 1.0017 1.0090 0.9912 0.9893 0.9900 1.2304 1.2139 1.0850 2.1106 2.0808 2.0737 3.1131 3.7299 3.8825 3.7944 3.9106 3.8961 3.8322 4.2005 3.8119 3.7163 3.6243 3.6355 4.0007 3.9894 4.0716 3.9970 4.0274 3.9734 3.9608 3.8484 3.7850 3.9083 3.9729 3.6384 3.8677 3.9994 3.9246 3.8971 3.9040 1.0249 1.0262 1.0021 1.0001 1.0038 1.0135 0.9995 1.0036 0.9988 1.0153 1.0011 1.0238 1.0211 1.0074 1.0077 0.9998 0.9976 1.0017 1.0090 0.9912 0.9893 0.9900 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 1.1172 1.0046 1.0279 1.1245 0.8615 1.9488 0.9343 0.9561 3.0566 0.9656 0.8257 0.9303 0.9446 0.9191 0.9724 0.9961 1.0110 1.0199 0.9873 0.9952 0.9909 0.9838 0.9952 0.9877 1.8118 0.9783 0.9512 0.8955 0.9313 0.9832 1.3534 1.3400 1.3260 1.3927 1.4744 0.9815 1.4825 0.9650 1.3693 0.9792 1.3806 0.9788 1.4023 0.9714 1.4039 0.9790 1.3670 1.4376 0.9796 1.3170 1.3652 1.4119 0.9768 1.4524 0.9852 1.4312 0.9767 1.3948 0.9809 0.9825 0 14 1 25 2 28 3 13 3 15 4 13 5 26 5 29 6 20 7 8 7 9 7 10 7 11 8 9 8 12 8 35 9 13 9 36 10 37 10 38 10 39 11 40 11 41 11 42 12 14 12 43 14 16 15 17 15 20 15 44 16 18 16 19 17 23 17 24 18 21 18 45 19 22 19 46 21 25 21 48 22 25 22 49 23 26 23 47 24 27 24 50 26 28 27 28 27 51 29 30 29 31 30 32 30 52 31 33 31 53 32 34 32 54 33 34 33 55 34 56 -0.031834525 -2381.044856777696 -4.56879 5.73701 1.16822 -29.06549 28.12631 -0.93918 -13.72773 12.10014 -1.62759 2.21266 5.62413