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:2.2161,4.2798,-.301;8.5796,3.1483,2.256;-6.4411,-2.0268,-2.2906;-1.717,-.2561,1.3967;-1.9521,1.5072,.0428;-4.5243,-3.6134,-1.4208;-3.3653,-1.5664,3.9362;.5978,.218,-1.3014;.9831,1.4234,-.4931;.1363,.3316,.139;1.6151,-.8606,-1.582;-.3741,.4157,-2.4379;2.3442,1.6223,.0122;-1.263,.6217,.4841;2.9967,2.7799,.1298;-3.0868,-.14,1.7642;4.3756,2.9064,.6276;-4.0094,-.6465,.6834;5.3018,1.8922,.3753;4.7894,4.0092,1.3753;-3.2239,-.9427,2.9803;6.5902,1.9578,.8768;6.0768,4.088,1.8805;-3.8046,-1.9171,.1557;-5.0358,.1563,.214;6.9684,3.0574,1.6308;-4.6226,-2.3794,-.86;-5.8744,-.3117,-.7877;-5.6527,-1.5631,-1.3163;-3.2921,-4.2134,-1.553;-3.2202,-5.5663,-1.2596;-2.1811,-3.5202,-2.0159;-2.0181,-6.2369,-1.4374;-.983,-4.2015,-2.1749;-.8947,-5.5577,-1.8885;.4389,2.3251,-.7494;.6432,-.3306,.8313;2.2492,-1.0863,-.7261;2.2599,-.5678,-2.412;1.1098,-1.7851,-1.8656;.1811,.5704,-3.3642;-1.0287,1.2735,-2.3049;-.9962,-.4714,-2.5727;2.8782,.7401,.3463;-3.3426,.8919,2.0265;5.0264,1.0423,-.2349;4.1047,4.8196,1.5857;-3.0083,-2.546,.5366;7.2926,1.1629,.6671;6.374,4.9474,2.4658;-5.1882,1.1458,.6237;-6.6826,.299,-1.1678;-4.0974,-6.0902,-.9017;-2.2393,-2.4649,-2.2539;-1.9615,-7.2938,-1.2125;-.1138,-3.6644,-2.5318;.0428,-6.0813,-2.0187; 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 3711.8494534631 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 7.690e-06 Time for diagonalization 0.354 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.331 sec Total time needed 0.692 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:2.2161,4.2798,-.301;8.5796,3.1483,2.256;-6.4411,-2.0268,-2.2905;-1.717,-.2561,1.3967;-1.9521,1.5072,.0428;-4.5243,-3.6134,-1.4208;-3.3653,-1.5664,3.9362;.5978,.218,-1.3014;.9831,1.4234,-.4931;.1363,.3316,.139;1.6151,-.8606,-1.582;-.3741,.4157,-2.4379;2.3442,1.6223,.0122;-1.263,.6217,.4841;2.9967,2.7799,.1298;-3.0868,-.14,1.7642;4.3756,2.9064,.6276;-4.0094,-.6465,.6834;5.3018,1.8922,.3753;4.7894,4.0092,1.3753;-3.2239,-.9427,2.9803;6.5902,1.9578,.8768;6.0768,4.088,1.8805;-3.8046,-1.9171,.1557;-5.0358,.1563,.214;6.9684,3.0574,1.6308;-4.6226,-2.3794,-.86;-5.8744,-.3117,-.7877;-5.6527,-1.5631,-1.3163;-3.2921,-4.2134,-1.553;-3.2202,-5.5663,-1.2596;-2.1811,-3.5202,-2.0159;-2.0181,-6.2369,-1.4374;-.983,-4.2015,-2.1749;-.8947,-5.5577,-1.8885;.4389,2.3251,-.7494;.6432,-.3306,.8313;2.2492,-1.0863,-.7261;2.2599,-.5678,-2.412;1.1098,-1.7851,-1.8656;.1811,.5704,-3.3642;-1.0287,1.2735,-2.3049;-.9962,-.4714,-2.5727;2.8782,.7401,.3463;-3.3426,.8919,2.0265;5.0264,1.0423,-.2349;4.1047,4.8196,1.5857;-3.0083,-2.546,.5366;7.2926,1.1629,.6671;6.374,4.9474,2.4658;-5.1882,1.1458,.6237;-6.6826,.299,-1.1678;-4.0974,-6.0902,-.9017;-2.2393,-2.4649,-2.2539;-1.9615,-7.2938,-1.2125;-.1138,-3.6644,-2.5318;.0428,-6.0813,-2.0187; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 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:2.2161,4.2798,-.301;8.5796,3.1483,2.256;-6.4411,-2.0268,-2.2906;-1.717,-.2561,1.3967;-1.9521,1.5072,.0428;-4.5243,-3.6134,-1.4208;-3.3653,-1.5664,3.9362;.5978,.218,-1.3014;.9831,1.4234,-.4931;.1363,.3316,.139;1.6151,-.8606,-1.582;-.3741,.4157,-2.4379;2.3442,1.6223,.0122;-1.263,.6217,.4841;2.9967,2.7799,.1298;-3.0868,-.14,1.7642;4.3756,2.9064,.6276;-4.0094,-.6465,.6834;5.3018,1.8922,.3753;4.7894,4.0092,1.3753;-3.2239,-.9427,2.9803;6.5902,1.9578,.8768;6.0768,4.088,1.8805;-3.8046,-1.9171,.1557;-5.0358,.1563,.214;6.9684,3.0574,1.6308;-4.6226,-2.3794,-.86;-5.8744,-.3117,-.7877;-5.6527,-1.5631,-1.3163;-3.2921,-4.2134,-1.553;-3.2202,-5.5663,-1.2596;-2.1811,-3.5202,-2.0159;-2.0181,-6.2369,-1.4374;-.983,-4.2015,-2.1749;-.8947,-5.5577,-1.8885;.4389,2.3251,-.7494;.6432,-.3306,.8313;2.2492,-1.0863,-.7261;2.2599,-.5678,-2.412;1.1098,-1.7851,-1.8656;.1811,.5704,-3.3642;-1.0287,1.2735,-2.3049;-.9962,-.4714,-2.5727;2.8782,.7401,.3463;-3.3426,.8919,2.0265;5.0264,1.0423,-.2349;4.1047,4.8196,1.5857;-3.0083,-2.546,.5366;7.2926,1.1629,.6671;6.374,4.9474,2.4658;-5.1882,1.1458,.6237;-6.6826,.299,-1.1678;-4.0974,-6.0902,-.9017;-2.2393,-2.4649,-2.2539;-1.9615,-7.2938,-1.2125;-.1138,-3.6644,-2.5318;.0428,-6.0813,-2.0187; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3301 GEPOL Volume 3521.3300 GEPOL Surface-area 1953.6308 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.6s -2380.99890736 3711.84945346 -6092.84836082 -10642.24830334 4549.39994252 -0.04574992 -4754.47166678 2373.47275942 2.00317094 132.000037400681 132.000037400681 264.000074801362 -182.580969780790 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 -2765.3153 -2765.2542 -675.0924 -525.2421 -524.8556 -523.4323 -392.9723 -283.7413 -282.8521 -282.2941 -281.9134 -281.6138 -281.5383 -281.4927 -281.3217 -280.5744 -280.5477 -280.4489 -280.2646 -280.2484 -280.2057 -280.1161 -280.1131 -280.0972 -280.0632 -280.0614 -280.0409 -280.0336 -279.8518 -279.8402 -279.8248 -279.7789 -279.6731 -279.2497 -279.2224 -260.5890 -260.5289 -199.4209 -199.3593 -199.1907 -199.1819 -199.1327 -199.1210 -37.0151 -34.1567 -33.1564 -31.5837 -28.4893 -27.9134 -27.6854 -27.3843 -27.2150 -26.7350 -26.0740 -25.4842 -24.3779 -24.2706 -23.8706 -23.7602 -23.7041 -23.4462 -23.2020 -22.8357 -21.9145 -21.3281 -20.9469 -20.3140 -20.0251 -19.9141 -19.7480 -19.3173 -18.8856 -18.5140 -18.2283 -18.0156 -17.8790 -17.5459 -17.2183 -17.0257 -16.7685 -16.6875 -16.2837 -16.2038 -16.1127 -15.8111 -15.7191 -15.5892 -15.4314 -15.1544 -14.9801 -14.9480 -14.8615 -14.6228 -14.5488 -14.4468 -14.4387 -14.2546 -14.0778 -13.9258 -13.8299 -13.7770 -13.6542 -13.5678 -13.3217 -13.2038 -13.0778 -12.9857 -12.8470 -12.8021 -12.6911 -12.6268 -12.5782 -12.4652 -12.3302 -12.2852 -12.1659 -11.9375 -11.9028 -11.7963 -11.5120 -11.2926 -11.2638 -11.1409 -10.8023 -10.2981 -9.7683 -9.7466 -9.6763 -9.4764 -9.3769 -8.5905 -8.3298 0.6158 0.9935 1.2984 1.3973 1.6475 1.8257 1.9403 2.4905 2.7771 2.9695 3.0898 3.1759 3.3625 3.6346 3.7988 4.0424 4.1407 4.2406 4.4286 4.4806 4.6128 4.6655 4.8047 4.8738 4.9222 5.0091 5.0957 5.2139 5.2455 5.4294 5.5862 5.6798 5.7910 5.8591 5.8962 6.0319 6.1062 6.2088 6.3668 6.4174 6.4437 6.5130 6.5902 6.7497 6.8313 6.9231 7.0468 7.1464 7.2227 7.3744 7.4923 7.6114 7.6810 7.7226 7.8002 7.8393 7.9492 8.0289 8.1584 8.1866 8.2420 8.3523 8.3607 8.4313 8.4856 8.5580 8.5845 8.7128 8.7673 8.8481 8.9394 9.0490 9.0662 9.1436 9.2258 9.3457 9.5010 9.5807 9.6800 9.8154 9.8391 9.8566 9.9535 10.0550 10.1234 10.2478 10.3227 10.4252 10.5538 10.6596 10.7328 10.8094 10.8568 10.9987 11.0999 11.1446 11.2492 11.3027 11.3335 11.4096 11.4635 11.5218 11.5686 11.6006 11.6831 11.8022 11.8931 11.9818 12.0387 12.0752 12.1349 12.2254 12.2797 12.3395 12.4256 12.4721 12.5917 12.6450 12.7575 12.8609 12.8797 13.0200 13.0884 13.1610 13.2213 13.3668 13.4795 13.4989 13.6298 13.6613 13.6747 13.8036 13.8270 13.8980 14.0157 14.1432 14.2005 14.2643 14.2777 14.2964 14.3988 14.4650 14.5250 14.5782 14.6866 14.8022 14.9602 15.0496 15.0754 15.1441 15.2036 15.2839 15.3919 15.4040 15.4753 15.6052 15.6775 15.6945 15.8032 15.8960 16.0829 16.0883 16.1283 16.2159 16.3740 16.4461 16.5552 16.6315 16.7350 16.7910 16.8465 16.9097 16.9388 17.1409 17.1713 17.3646 17.3835 17.4907 17.5712 17.7607 17.9145 17.9924 18.0748 18.1853 18.2640 18.3566 18.4261 18.6785 18.7172 18.8205 18.9340 19.1342 19.2819 19.3226 19.3910 19.5912 19.6323 19.7298 19.8587 19.8979 19.9974 20.1372 20.2582 20.2742 20.4015 20.4382 20.5323 20.6790 20.6954 20.8663 20.9905 21.0705 21.0738 21.2713 21.3113 21.3953 21.4826 21.5430 21.5741 21.7704 21.7878 21.8682 22.0038 22.2362 22.2945 22.3363 22.3831 22.5750 22.6031 22.7786 22.8642 22.9307 23.0621 23.1071 23.2556 23.4030 23.4160 23.5840 23.6506 23.7192 23.9142 24.0801 24.1421 24.2777 24.3347 24.4208 24.4640 24.6010 24.8038 24.9114 25.0687 25.1374 25.2226 25.3702 25.4852 25.5601 25.7475 25.7929 26.0222 26.1059 26.2336 26.3512 26.4508 26.5915 26.6548 26.7485 26.8168 26.9643 27.1037 27.2962 27.4584 27.5348 27.6355 27.6781 27.9441 27.9547 28.0670 28.1441 28.1991 28.3151 28.5072 28.6469 28.7341 28.7981 28.9806 29.0064 29.1419 29.2690 29.3134 29.4496 29.5564 29.6426 29.7285 29.8685 29.9206 30.1160 30.2085 30.3323 30.5658 30.6541 30.7636 30.8305 30.9639 31.0886 31.2642 31.2836 31.3817 31.5262 31.6190 31.7632 31.8666 31.8938 32.0755 32.2963 32.4839 32.5688 32.6104 32.7328 32.8265 32.9386 33.0375 33.0989 33.3044 33.3474 33.4855 33.5691 33.6506 33.7233 33.9773 34.0951 34.2386 34.4183 34.4951 34.6168 34.7671 34.8328 34.9663 35.0532 35.2031 35.2346 35.4037 35.6005 35.7079 35.7354 35.8535 35.9526 36.2535 36.2916 36.3555 36.4912 36.5509 36.6173 36.6868 36.7683 36.8916 37.0382 37.1118 37.1890 37.3098 37.4718 37.6144 37.7851 37.8708 37.9479 38.0330 38.1328 38.1491 38.3045 38.3164 38.4297 38.5651 38.6679 38.7141 38.8221 38.8584 39.0826 39.1181 39.2446 39.3371 39.4932 39.5855 39.7215 39.7780 39.8920 39.9252 40.0788 40.2114 40.2628 40.5547 40.6841 40.8537 40.9985 41.1401 41.1626 41.2290 41.4901 41.6725 41.7383 41.8435 41.8932 42.0352 42.1916 42.2608 42.4846 42.5735 42.7032 42.8836 42.9374 43.0113 43.0897 43.2646 43.2934 43.3690 43.4784 43.7290 43.8472 43.9644 43.9816 44.1530 44.2030 44.3072 44.5029 44.5296 44.6481 44.8113 44.8971 45.0411 45.0997 45.3330 45.4556 45.5578 45.7474 45.8498 45.9717 46.0179 46.1309 46.4127 46.4647 46.5991 46.6127 46.7586 46.8762 46.9531 47.1487 47.2894 47.3819 47.4181 47.5629 47.6972 47.8487 47.9531 48.0448 48.1993 48.3470 48.4521 48.6034 48.6622 48.7929 48.9628 48.9940 49.1728 49.2753 49.4552 49.5407 49.6592 49.7368 49.9042 50.2072 50.3942 50.5689 50.6564 50.9227 51.0823 51.1824 51.3470 51.5947 51.7450 51.7970 51.8782 52.1504 52.2752 52.3559 52.4342 52.5499 52.6419 52.7537 52.8111 52.9014 53.0229 53.2656 53.3588 53.5782 53.6480 53.8266 54.0085 54.1001 54.5457 54.6580 54.8699 54.9422 55.3359 55.5840 55.6388 55.8359 55.9979 56.1229 56.3789 56.4184 56.4629 56.5914 56.8148 56.9266 57.0786 57.2040 57.3984 57.4473 57.5765 57.6035 57.7580 57.9329 58.1643 58.3068 58.3985 58.5787 58.6967 58.9295 59.2176 59.2660 59.4519 59.5744 59.6812 59.8904 59.9801 60.0086 60.1592 60.3520 60.4522 60.6084 60.8117 60.9609 61.0815 61.2274 61.5667 61.8525 62.0332 62.2402 62.3344 62.4744 62.6621 62.7651 62.8860 63.0510 63.3007 63.3457 63.4805 63.7544 63.8521 63.9076 64.0585 64.4137 64.4785 64.5580 64.7132 64.8527 65.0127 65.1761 65.2303 65.3263 65.3864 65.4287 65.5517 65.7759 65.8424 66.0943 66.2103 66.4822 66.5397 66.6716 66.8029 67.1951 67.2961 67.3666 67.4849 67.6301 67.8188 67.8916 67.9960 68.2916 68.5465 68.5825 68.9245 69.1104 69.2373 69.5427 69.8404 69.9040 70.1278 70.2490 70.5517 70.7649 71.1622 71.3051 71.7082 72.0040 72.1301 72.3687 72.5008 72.7253 72.8528 73.1314 73.4920 73.5527 73.7907 74.0481 74.0604 74.4722 74.5103 74.6732 74.9026 74.9567 75.0632 75.3179 75.4882 75.6506 75.8134 76.1172 76.2084 76.3460 76.3647 76.5123 76.5867 76.7420 77.1212 77.2444 77.3290 77.3468 77.5212 77.6145 77.7711 77.8666 78.1145 78.1971 78.2232 78.3891 78.5931 78.6396 78.8648 78.9393 79.0652 79.1513 79.1855 79.3140 79.3839 79.4601 79.5836 79.6153 79.7009 79.7287 79.8845 79.9786 80.1565 80.1872 80.2794 80.4392 80.5126 80.5476 80.6821 80.8668 80.9986 81.0820 81.1384 81.3264 81.4560 81.5612 81.8792 81.8969 81.9712 82.0811 82.1516 82.2558 82.3378 82.3920 82.4680 82.6233 82.6604 82.8311 82.8793 82.9441 83.0533 83.1584 83.3180 83.4319 83.5620 83.5887 83.8616 83.8905 84.0471 84.1239 84.3330 84.4619 84.5737 84.6823 84.7584 84.8750 84.9431 84.9933 85.0660 85.1821 85.2616 85.2937 85.4422 85.5583 85.6220 85.6757 85.7122 85.7878 85.9441 85.9907 86.1076 86.2826 86.4716 86.5187 86.5608 86.8306 86.8854 87.1358 87.2322 87.4257 87.5533 87.7601 87.8834 87.9122 88.0006 88.2549 88.3754 88.4651 88.5631 88.6849 88.7881 88.8651 88.9361 89.0256 89.1002 89.1887 89.2586 89.3119 89.4021 89.5100 89.6978 89.7356 89.8089 89.9723 90.0411 90.1204 90.2919 90.3793 90.5201 90.5476 90.6892 90.7487 90.8180 91.0825 91.2373 91.2802 91.3220 91.3626 91.5307 91.6947 91.7341 91.9937 92.0524 92.1551 92.2372 92.3630 92.4208 92.5169 92.6138 92.6929 92.7347 92.8917 93.0172 93.1777 93.2033 93.2600 93.3649 93.4478 93.6321 93.7054 93.7616 93.8579 93.9082 94.0615 94.1869 94.2254 94.3860 94.4479 94.5494 94.5833 94.8477 94.9388 95.0246 95.0807 95.1701 95.3789 95.3945 95.5485 95.6649 95.8293 96.0573 96.1689 96.2466 96.4092 96.5758 96.7161 96.8316 96.9164 97.0331 97.0774 97.2659 97.4338 97.4691 97.5417 97.7246 97.8023 97.9067 97.9682 98.0668 98.1802 98.2901 98.4376 98.6328 98.7024 98.9235 99.0095 99.0494 99.1049 99.1440 99.2434 99.3831 99.5526 99.7681 99.8386 99.9482 100.0718 100.2759 100.4647 100.5593 100.7307 100.8586 101.0746 101.2798 101.4518 101.6232 101.8516 101.9706 102.0535 102.1699 102.4242 102.5152 102.6766 102.7518 102.9728 103.1429 103.2238 103.3077 103.4732 103.8593 103.9902 104.0329 104.1605 104.4359 104.5871 104.8025 104.8911 104.9999 105.1620 105.3991 105.4487 105.5161 105.6007 105.6478 105.7527 105.9263 105.9936 106.0816 106.2051 106.3967 106.5165 106.5812 106.6205 106.7564 106.7987 106.9632 107.0516 107.1142 107.2351 107.5753 107.7177 107.9383 108.0254 108.1208 108.2090 108.2519 108.4551 108.5675 108.6896 108.7609 109.0771 109.1577 109.2418 109.4718 109.6284 109.9158 110.0219 110.0820 110.1306 110.3000 110.3518 110.3900 110.6113 110.6432 110.7666 110.9810 111.0530 111.2960 111.3416 111.5373 111.7269 111.9826 112.2280 112.2729 112.4477 112.5309 112.6362 112.7402 112.9660 113.1010 113.2497 113.4978 113.6594 113.7686 113.8439 114.0247 114.0489 114.2319 114.4560 114.5253 114.7323 114.7617 114.8883 115.2350 115.3101 115.4272 115.5084 115.5327 115.6805 115.9570 116.0577 116.2401 116.3207 116.4162 116.6220 116.6968 116.8173 116.9191 117.1586 117.2363 117.2746 117.3902 117.5222 117.6156 117.7662 117.8395 117.9029 117.9891 118.1331 118.2667 118.4140 118.5842 118.6554 118.7516 118.8503 118.8613 119.0438 119.1661 119.3589 119.4247 119.4743 119.5857 119.7639 120.0659 120.1903 120.4098 120.4799 120.5141 120.5701 120.8085 120.8674 121.0824 121.1795 121.4230 121.7580 121.8245 121.9563 122.2084 122.3814 122.4783 122.7249 122.9038 123.0975 123.2255 123.3717 123.7509 123.9064 124.0005 124.2551 124.5429 124.8613 125.0508 125.1835 125.3745 125.7867 125.8195 126.1796 126.3495 126.4431 126.5987 126.7185 126.8580 127.0415 127.1123 127.2714 127.4607 127.6912 127.8630 128.0301 128.3753 128.5716 128.7667 129.0270 129.1733 129.4336 129.4905 129.6949 129.7608 130.1226 130.2934 130.3598 130.5328 130.7258 130.7982 130.9551 131.1151 131.3226 131.4321 131.6068 131.7837 131.8624 131.9345 132.0631 132.1924 132.3761 132.4901 132.7868 132.8940 132.9543 133.0529 133.2400 133.5206 133.8497 134.0681 134.2757 134.7427 134.9894 135.0243 135.3920 135.5262 135.8018 135.9139 136.0309 136.1594 136.9340 137.6224 137.8287 137.9902 138.1196 138.2146 138.3219 138.5542 138.7060 138.9458 139.2762 139.4260 139.6349 139.8172 139.9474 140.2301 140.4212 140.5905 141.4461 141.5373 141.7364 141.8960 142.3777 142.5614 142.8078 143.2020 143.2557 143.4042 143.6298 143.8039 143.9018 144.4203 144.4459 144.7508 144.9753 145.2166 145.2908 145.5405 145.9621 146.2776 146.3428 146.4862 146.8560 146.9432 147.2528 147.6081 147.7630 147.9399 148.0075 148.0997 148.1320 148.4301 148.6788 149.0504 149.3523 149.5246 149.7471 150.0023 150.2962 150.3957 150.5069 150.7841 150.9673 151.1502 151.7208 151.8819 152.1933 152.3735 152.8220 153.1726 153.3697 153.9499 154.3745 154.8776 155.0804 155.1468 155.5566 155.5855 156.3197 156.6026 156.8541 157.0488 157.2201 157.5420 157.6126 157.7775 158.6087 158.7351 159.3793 159.4992 159.8216 159.9780 160.1677 160.3575 160.5296 160.9085 161.5177 161.7321 161.8686 162.1609 162.2155 162.3900 163.1274 163.1686 164.9922 165.2485 166.3637 167.7260 168.0297 169.6541 170.9986 171.1025 172.1656 172.4424 172.8066 173.9565 175.8221 176.3092 178.2781 178.6441 179.1554 180.1384 182.4126 182.6203 185.9453 186.5512 186.7653 188.7557 189.0350 189.2758 190.0351 190.9433 192.3487 192.6549 193.3961 195.1926 195.9712 196.3341 198.9621 200.0069 201.7140 204.8391 205.6566 206.4796 206.7572 212.7693 221.5967 222.6528 222.9964 223.4454 224.1036 224.4856 227.2294 227.7240 229.0505 229.5658 229.7298 235.8357 241.0084 247.8241 248.8644 294.8823 295.5140 297.4516 299.0016 312.5444 312.6699 613.9149 618.1466 618.4372 619.8839 625.9206 626.3998 629.3321 630.2892 631.3010 632.0393 632.7422 633.4614 634.1752 635.0186 635.2124 635.6581 636.7312 636.7537 636.8397 638.1263 641.6685 642.4136 643.3221 648.3822 651.3713 655.1995 655.6503 657.9978 707.2294 712.7674 876.2565 1200.4054 1212.8521 1214.5820 1563.1215 -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 -0.114185 -0.095483 -0.210249 -0.283542 -0.464532 -0.334623 -0.100408 0.087544 0.012662 -0.064190 -0.269601 -0.264821 -0.155117 0.390838 0.034652 0.427274 0.089298 -0.005410 -0.213279 -0.174855 -0.223861 -0.145223 -0.163738 -0.191656 -0.182829 0.101551 0.199737 -0.152622 0.189142 0.288758 -0.241237 -0.222780 -0.123585 -0.155891 -0.189432 0.081101 0.101355 0.093783 0.103086 0.091491 0.102627 0.095505 0.091719 0.136372 0.143937 0.150946 0.139690 0.153570 0.145004 0.145115 0.153058 0.154703 0.149766 0.186870 0.161408 0.179900 0.160687 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 17.1142 17.0955 9.2102 8.2835 8.4645 8.3346 7.1004 5.9125 5.9873 6.0642 6.2696 6.2648 6.1551 5.6092 5.9653 5.5727 5.9107 6.0054 6.2133 6.1749 6.2239 6.1452 6.1637 6.1917 6.1828 5.8984 5.8003 6.1526 5.8109 5.7112 6.2412 6.2228 6.1236 6.1559 6.1894 0.9189 0.8986 0.9062 0.8969 0.9085 0.8974 0.9045 0.9083 0.8636 0.8561 0.8491 0.8603 0.8464 0.8550 0.8549 0.8469 0.8453 0.8502 0.8131 0.8386 0.8201 0.8393 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 -0.1142 -0.0955 -0.2102 -0.2835 -0.4645 -0.3346 -0.1004 0.0875 0.0127 -0.0642 -0.2696 -0.2648 -0.1551 0.3908 0.0347 0.4273 0.0893 -0.0054 -0.2133 -0.1749 -0.2239 -0.1452 -0.1637 -0.1917 -0.1828 0.1016 0.1997 -0.1526 0.1891 0.2888 -0.2412 -0.2228 -0.1236 -0.1559 -0.1894 0.0811 0.1014 0.0938 0.1031 0.0915 0.1026 0.0955 0.0917 0.1364 0.1439 0.1509 0.1397 0.1536 0.1450 0.1451 0.1531 0.1547 0.1498 0.1869 0.1614 0.1799 0.1607 1.2192 1.2103 1.0808 2.1303 2.0456 2.0762 3.1108 3.7358 3.8780 3.8403 3.9144 3.8971 3.8514 4.1832 3.8803 3.7158 3.5926 3.6327 4.0055 3.9843 4.0870 3.9826 4.0240 3.9340 3.9244 3.8397 3.7282 3.8780 4.0638 3.7082 3.9971 3.9202 3.8808 3.8859 3.9247 1.0518 1.0316 1.0074 1.0008 1.0101 1.0010 1.0181 1.0024 1.0047 1.0152 1.0018 1.0213 1.0124 1.0056 1.0065 1.0011 0.9963 1.0060 0.9698 0.9877 0.9783 0.9907 1.2192 1.2103 1.0808 2.1303 2.0456 2.0762 3.1108 3.7358 3.8780 3.8403 3.9144 3.8971 3.8514 4.1832 3.8803 3.7158 3.5926 3.6327 4.0055 3.9843 4.0870 3.9826 4.0240 3.9340 3.9244 3.8397 3.7282 3.8780 4.0638 3.7082 3.9971 3.9202 3.8808 3.8859 3.9247 1.0518 1.0316 1.0074 1.0008 1.0101 1.0010 1.0181 1.0024 1.0047 1.0152 1.0018 1.0213 1.0124 1.0056 1.0065 1.0011 0.9963 1.0060 0.9698 0.9877 0.9783 0.9907 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1.1302 1.0028 1.0664 1.1443 0.8510 1.8821 0.9790 0.9178 3.0554 0.9032 0.8542 0.9519 0.9447 0.9210 1.0448 0.9868 1.0359 1.0135 0.9926 0.9947 0.9861 0.9925 0.9903 0.9905 1.7962 0.9489 0.9585 0.8956 0.9364 0.9789 1.3531 1.3358 1.3451 1.3701 1.4686 0.9833 1.4811 0.9659 1.3665 0.9802 1.3774 0.9796 1.3888 0.9487 1.3920 0.9777 1.3612 1.4481 0.9816 1.3869 1.3728 1.4245 0.9850 1.4188 0.9488 1.4094 0.9795 1.4219 0.9593 0.9847 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 -0.030884764 -2381.029792119651 -5.12763 6.19811 1.07048 -20.51165 20.05874 -0.45291 -14.65317 13.44095 -1.21222 1.67944 4.26881