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:.8309,.2533,1.8932;7.4673,-.6506,.0699;-3.6249,-4.3569,-.5108;-2.9273,1.8367,.2263;-3.022,1.5312,-1.9823;-1.474,-2.9745,.2764;-4.9278,1.6117,2.831;-.6742,3.851,-.4603;-.1691,2.5869,.1595;-1.0752,2.5188,-1.066;.2439,4.6935,-1.3134;-1.6668,4.6771,.3213;1.2208,2.1297,.0387;-2.4235,1.9276,-1.0153;1.7814,1.1272,.7193;-4.1544,1.1483,.3785;3.1761,.679,.5734;-4.0127,-.3436,.1646;3.8411,-.0043,1.5912;3.8734,.9276,-.6121;-4.5758,1.4246,1.7541;5.1569,-.4125,1.4439;5.1892,.532,-.7696;-2.7903,-.9649,.3701;-5.1161,-1.0853,-.2346;5.8258,-.139,.2637;-2.6543,-2.3199,.1174;-4.9979,-2.4506,-.4398;-3.7658,-3.0498,-.2786;-.3622,-2.5492,-.4052;.8567,-3.011,.0747;-.4167,-1.733,-1.5277;2.0272,-2.6548,-.5755;.7678,-1.3751,-2.1602;1.9907,-1.8334,-1.695;-.6578,2.3177,1.0883;-.5882,2.294,-2.0085;.8869,4.1035,-1.9658;.8835,5.3181,-.687;-.3412,5.3563,-1.9532;-1.1351,5.4472,.883;-2.2444,4.0992,1.0393;-2.3653,5.1828,-.348;1.8585,2.6532,-.6637;-4.9242,1.5497,-.2899;3.3423,-.2288,2.5236;3.3858,1.4159,-1.4452;-1.9229,-.4085,.7045;5.6493,-.9398,2.2498;5.7043,.7334,-1.6994;-6.0719,-.6022,-.3936;-5.8498,-3.0415,-.7502;.8847,-3.6457,.9517;-1.3576,-1.3684,-1.9195;2.9752,-3.0156,-.1975;.7228,-.7349,-3.0321;2.9069,-1.5541,-2.1977; 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 4046.0190558981 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 6.309e-06 Time for diagonalization 0.687 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.591 sec Total time needed 1.301 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:.8309,.2533,1.8932;7.4673,-.6506,.0699;-3.6249,-4.3569,-.5108;-2.9273,1.8367,.2263;-3.022,1.5312,-1.9823;-1.474,-2.9745,.2764;-4.9278,1.6117,2.831;-.6742,3.851,-.4603;-.1691,2.5869,.1595;-1.0752,2.5188,-1.066;.2439,4.6935,-1.3134;-1.6668,4.6771,.3213;1.2208,2.1297,.0387;-2.4235,1.9276,-1.0153;1.7814,1.1272,.7193;-4.1544,1.1483,.3785;3.1761,.679,.5734;-4.0127,-.3436,.1646;3.8411,-.0043,1.5912;3.8734,.9276,-.6121;-4.5758,1.4246,1.7541;5.1569,-.4125,1.4439;5.1892,.532,-.7696;-2.7903,-.9649,.3701;-5.1161,-1.0853,-.2346;5.8258,-.139,.2637;-2.6543,-2.3199,.1174;-4.9979,-2.4506,-.4398;-3.7658,-3.0498,-.2786;-.3622,-2.5492,-.4052;.8567,-3.011,.0747;-.4167,-1.733,-1.5277;2.0272,-2.6548,-.5755;.7678,-1.3751,-2.1602;1.9907,-1.8334,-1.695;-.6578,2.3177,1.0883;-.5882,2.294,-2.0085;.8869,4.1035,-1.9658;.8835,5.3181,-.687;-.3412,5.3563,-1.9532;-1.1351,5.4472,.883;-2.2444,4.0992,1.0393;-2.3653,5.1828,-.348;1.8585,2.6532,-.6637;-4.9242,1.5497,-.2899;3.3423,-.2288,2.5236;3.3858,1.4159,-1.4452;-1.9229,-.4085,.7045;5.6493,-.9398,2.2498;5.7043,.7334,-1.6994;-6.0719,-.6022,-.3936;-5.8498,-3.0415,-.7502;.8847,-3.6457,.9517;-1.3576,-1.3684,-1.9195;2.9752,-3.0156,-.1975;.7228,-.7349,-3.0321;2.9069,-1.5541,-2.1977; 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:.8309,.2533,1.8932;7.4673,-.6506,.0699;-3.6249,-4.3569,-.5108;-2.9273,1.8367,.2263;-3.022,1.5312,-1.9823;-1.474,-2.9745,.2764;-4.9278,1.6117,2.831;-.6742,3.851,-.4603;-.1691,2.5869,.1595;-1.0752,2.5188,-1.066;.2439,4.6935,-1.3134;-1.6668,4.6771,.3213;1.2208,2.1297,.0387;-2.4235,1.9276,-1.0153;1.7814,1.1272,.7193;-4.1544,1.1483,.3785;3.1761,.679,.5734;-4.0127,-.3436,.1646;3.8411,-.0043,1.5912;3.8734,.9276,-.6121;-4.5758,1.4246,1.7541;5.1569,-.4125,1.4439;5.1892,.532,-.7696;-2.7903,-.9649,.3701;-5.1161,-1.0853,-.2346;5.8258,-.139,.2637;-2.6543,-2.3199,.1174;-4.9979,-2.4506,-.4398;-3.7658,-3.0498,-.2786;-.3622,-2.5492,-.4052;.8567,-3.011,.0747;-.4167,-1.733,-1.5277;2.0272,-2.6548,-.5755;.7678,-1.3751,-2.1602;1.9907,-1.8334,-1.695;-.6578,2.3177,1.0883;-.5882,2.294,-2.0085;.8869,4.1035,-1.9658;.8835,5.3181,-.687;-.3412,5.3563,-1.9532;-1.1351,5.4472,.883;-2.2444,4.0992,1.0393;-2.3653,5.1828,-.348;1.8585,2.6532,-.6637;-4.9242,1.5497,-.2899;3.3423,-.2288,2.5236;3.3858,1.4159,-1.4452;-1.9229,-.4085,.7045;5.6493,-.9398,2.2498;5.7043,.7334,-1.6994;-6.0719,-.6022,-.3936;-5.8498,-3.0415,-.7502;.8847,-3.6457,.9517;-1.3576,-1.3684,-1.9195;2.9752,-3.0156,-.1975;.7228,-.7349,-3.0321;2.9069,-1.5541,-2.1977; 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 3286 GEPOL Volume 3532.0583 GEPOL Surface-area 1877.5977 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 1.0s -2381.01029672 4046.01905590 -6427.02935262 -11311.29100218 4884.26164956 -0.03781322 -4754.49672930 2373.48643258 2.00316996 132.000178323454 132.000178323454 264.000356646909 -182.589173050963 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 -2765.3251 -2765.2699 -675.0901 -525.2778 -524.8083 -523.4161 -392.9571 -283.7621 -282.9531 -282.3180 -281.8344 -281.6249 -281.5671 -281.5563 -281.2931 -280.6355 -280.6033 -280.4942 -280.3434 -280.2927 -280.2339 -280.1895 -280.1662 -280.1521 -280.0984 -280.0812 -280.0777 -280.0440 -279.8195 -279.7894 -279.7578 -279.6922 -279.5817 -279.3419 -279.2929 -260.5981 -260.5440 -199.4306 -199.3750 -199.1997 -199.1907 -199.1483 -199.1359 -37.0178 -34.2503 -33.1553 -31.6048 -28.4994 -27.9513 -27.7290 -27.4072 -27.2447 -26.6757 -26.0940 -25.4684 -24.3966 -24.2949 -23.8861 -23.7817 -23.6448 -23.4718 -23.2080 -22.8556 -21.9843 -21.3423 -20.8957 -20.4305 -20.0609 -19.9164 -19.7170 -19.3881 -19.1119 -18.6398 -18.2411 -18.1301 -17.8775 -17.5149 -17.2018 -17.1481 -16.7190 -16.4485 -16.3320 -16.2689 -16.1462 -15.8808 -15.7108 -15.6626 -15.4251 -15.2703 -15.0269 -14.9179 -14.8380 -14.6267 -14.5044 -14.4777 -14.2934 -14.2577 -14.1770 -14.0479 -13.8487 -13.8140 -13.7525 -13.6044 -13.2788 -13.1630 -13.0658 -13.0062 -12.9152 -12.8324 -12.6963 -12.6573 -12.5467 -12.4417 -12.3893 -12.2835 -12.0657 -11.9285 -11.8442 -11.7825 -11.5327 -11.4278 -11.3162 -11.1276 -10.9138 -10.2210 -9.8775 -9.7762 -9.6893 -9.4175 -9.3147 -8.5390 -8.3014 0.4401 1.0049 1.2455 1.3498 1.6948 1.8686 2.0521 2.4055 2.7741 2.9439 3.0377 3.1785 3.3206 3.5100 3.7058 3.8129 3.9152 4.0783 4.2159 4.3239 4.5732 4.6109 4.6729 4.7448 4.8906 4.9382 5.1414 5.2098 5.3027 5.5424 5.6205 5.6512 5.7869 5.9222 5.9735 6.0475 6.1402 6.2268 6.3464 6.3869 6.4598 6.6009 6.6758 6.7151 6.7647 6.8905 6.9378 7.0247 7.2101 7.2403 7.3189 7.3719 7.4868 7.7112 7.8001 7.8447 7.8471 7.9832 8.0884 8.1009 8.2482 8.3446 8.3890 8.4562 8.4907 8.5893 8.6324 8.7140 8.8887 8.9432 9.0384 9.0933 9.2166 9.3280 9.3718 9.4673 9.5883 9.6882 9.7247 9.9119 9.9788 10.0495 10.1242 10.3117 10.3922 10.4353 10.5254 10.5846 10.6153 10.7447 10.8067 10.9470 11.0387 11.0955 11.2100 11.3072 11.3512 11.4016 11.4671 11.5415 11.6131 11.6901 11.7589 11.8030 11.8996 11.9269 12.0279 12.1850 12.2063 12.2196 12.2973 12.4977 12.5726 12.6871 12.7108 12.8413 12.8680 12.9888 13.0234 13.1198 13.1710 13.2035 13.2428 13.3823 13.4864 13.5411 13.7215 13.7411 13.8387 13.8997 13.9730 14.0278 14.0817 14.1677 14.2598 14.3277 14.4064 14.4895 14.5708 14.6334 14.6773 14.7112 14.7414 14.8876 14.9184 14.9982 15.0680 15.1671 15.2720 15.2769 15.4474 15.5288 15.5965 15.6325 15.7818 15.8362 15.8884 15.9984 16.0202 16.1197 16.3057 16.3492 16.3922 16.4476 16.5400 16.5945 16.6799 16.8252 16.9240 17.0292 17.0658 17.0990 17.2446 17.3114 17.3635 17.5496 17.5954 17.7215 17.9761 17.9898 18.1508 18.1796 18.2628 18.4138 18.4731 18.6041 18.7401 18.7621 18.8055 18.9619 19.0039 19.1993 19.2446 19.4919 19.5986 19.7817 19.9169 19.9884 20.0521 20.1211 20.2108 20.3251 20.5273 20.6128 20.6661 20.7904 20.8865 20.9603 21.0592 21.1297 21.2892 21.2956 21.4122 21.5287 21.6454 21.6708 21.8316 21.9172 21.9745 22.0818 22.1309 22.1863 22.4059 22.4549 22.5088 22.6522 22.7228 22.8990 22.9628 23.0836 23.1705 23.3324 23.3752 23.5069 23.7209 23.7543 23.8066 23.8841 23.9619 24.0251 24.2850 24.3234 24.4224 24.5483 24.5852 24.7523 24.9580 25.0005 25.2439 25.2866 25.3368 25.8096 25.8610 25.9568 26.0568 26.1243 26.2580 26.3107 26.5284 26.5716 26.6015 26.6901 26.7870 26.8551 26.9419 27.0971 27.2220 27.3482 27.4365 27.5377 27.7621 27.7870 27.8577 27.9498 28.0450 28.2052 28.2864 28.4257 28.5913 28.7510 28.7694 28.9352 28.9983 29.0893 29.2201 29.3962 29.5784 29.7066 29.7881 29.8870 30.1871 30.3496 30.4060 30.4410 30.5313 30.6297 30.7520 30.9011 31.0575 31.1105 31.1608 31.3239 31.5451 31.5830 31.6614 31.7380 31.8407 31.9931 32.1172 32.2261 32.3250 32.4613 32.5278 32.7414 32.7989 32.8452 32.9876 33.0511 33.0998 33.1551 33.1885 33.3145 33.5667 33.7634 33.8694 33.9642 34.0801 34.2124 34.3014 34.3814 34.4619 34.8221 34.8458 34.8716 35.0746 35.1644 35.3408 35.6016 35.6341 35.7673 35.8845 35.9434 35.9930 36.1509 36.2646 36.3381 36.4433 36.6435 36.7976 36.8559 36.9273 37.0197 37.1215 37.1955 37.2729 37.5006 37.5560 37.6788 37.7979 37.8309 37.9164 38.1050 38.2141 38.2923 38.3763 38.4561 38.5538 38.6305 38.7192 38.7890 38.9394 39.0476 39.0824 39.2735 39.3346 39.3921 39.5379 39.6440 39.7035 39.7728 39.9109 39.9958 40.1281 40.3259 40.4217 40.4618 40.5767 40.6618 40.7897 40.9567 41.0254 41.1933 41.4152 41.4820 41.7483 41.9625 41.9706 42.2502 42.3067 42.3342 42.5628 42.6399 42.7636 42.8810 42.9958 43.0916 43.1097 43.2706 43.4013 43.5333 43.6619 43.7268 43.7890 43.9592 44.1268 44.2009 44.3225 44.3515 44.5128 44.6519 44.7037 44.7504 44.8417 45.0601 45.0811 45.2263 45.4611 45.5049 45.6177 45.8513 46.0142 46.0603 46.2041 46.3498 46.5460 46.6894 46.7052 46.7768 46.9913 47.0543 47.0910 47.1470 47.2420 47.4678 47.5167 47.6328 47.9375 48.0418 48.1376 48.2824 48.3651 48.5920 48.6551 48.7054 48.7909 49.0195 49.1171 49.2379 49.3631 49.5898 49.6397 49.7127 49.9842 50.0170 50.3224 50.3514 50.4010 50.7319 50.8280 50.9466 51.0367 51.2544 51.4023 51.4908 51.7156 51.8154 51.9284 52.1891 52.3489 52.3711 52.4127 52.7302 52.8110 52.9199 52.9750 53.0613 53.2870 53.4496 53.5618 53.7510 53.8998 54.1608 54.2835 54.5540 54.7128 54.9613 55.0006 55.0984 55.2817 55.5558 55.5817 55.6320 55.9205 55.9610 56.1942 56.3984 56.4773 56.6744 56.7029 56.8504 57.2041 57.3073 57.5187 57.6120 57.8853 57.9622 58.0471 58.1879 58.2207 58.5259 58.5496 58.8041 58.8964 58.9267 59.2502 59.4333 59.4844 59.5388 59.8342 59.9148 60.0095 60.0798 60.1454 60.3587 60.5819 60.8933 61.0488 61.2672 61.4613 61.5019 61.5906 61.7110 62.1397 62.3065 62.3530 62.4523 62.7519 62.8688 62.8902 62.9517 63.0820 63.2401 63.4141 63.5820 63.7735 63.9534 64.1093 64.2818 64.5506 64.6276 64.7768 64.8700 65.0124 65.1417 65.2018 65.3043 65.3793 65.5882 65.9620 66.0351 66.1734 66.2528 66.3281 66.4957 66.7716 66.8391 67.0742 67.1156 67.4161 67.4459 67.7399 67.7501 67.9227 67.9751 67.9997 68.2915 68.6497 68.6792 68.9300 69.1066 69.2532 69.3917 69.7155 70.0346 70.2398 70.4436 70.5584 70.8776 71.0686 71.1433 71.4085 71.5035 71.6879 71.9011 72.1605 72.3150 72.5534 72.7330 73.0522 73.1019 73.4855 73.7733 74.0342 74.0721 74.1834 74.5006 74.7669 74.8653 75.1143 75.1883 75.4116 75.4834 75.5515 75.7066 76.0984 76.1653 76.2328 76.5149 76.6783 76.7633 76.9929 77.1607 77.2875 77.3574 77.4435 77.5565 77.6098 77.7422 77.9114 77.9858 78.1286 78.2705 78.3674 78.5098 78.5343 78.5577 78.7324 78.8698 78.9042 78.9630 79.1800 79.3336 79.5160 79.5502 79.6021 79.7181 79.7411 79.9569 80.1892 80.2142 80.3155 80.4372 80.4534 80.5861 80.7562 80.8794 81.0095 81.0937 81.1604 81.4904 81.5748 81.6685 81.6777 82.0226 82.0888 82.1800 82.2040 82.2488 82.3926 82.4318 82.5305 82.6432 82.7596 82.8389 82.9617 83.0925 83.1569 83.3495 83.3981 83.4210 83.5223 83.5895 83.7760 83.8411 83.9481 84.0773 84.2680 84.3925 84.5496 84.7104 84.8552 84.9747 85.0985 85.1760 85.2931 85.4180 85.4732 85.5839 85.6633 85.8104 85.9218 85.9811 86.0511 86.1535 86.1970 86.2603 86.3574 86.5039 86.5891 86.6755 86.8101 86.8514 86.9821 87.0608 87.1880 87.2625 87.5933 87.6498 87.7744 87.8346 88.1329 88.2092 88.2973 88.4402 88.5131 88.5953 88.6764 88.8761 89.0022 89.0527 89.1632 89.2480 89.3473 89.4615 89.6389 89.6704 89.7546 89.8758 89.9471 90.0291 90.0450 90.1702 90.2790 90.3812 90.5520 90.6049 90.6796 90.8026 90.9830 91.0803 91.2309 91.2768 91.3893 91.5001 91.5832 91.7182 91.8340 91.9632 91.9965 92.1513 92.3166 92.3303 92.5593 92.5807 92.7750 92.8995 92.9820 93.0410 93.0774 93.2119 93.2961 93.3634 93.3908 93.5700 93.6745 93.6811 93.7310 93.8619 93.9319 93.9699 94.1231 94.2021 94.3700 94.4755 94.5226 94.6533 94.8422 94.9065 95.0339 95.1062 95.3116 95.3805 95.4100 95.5983 95.7552 95.8732 95.9466 96.1077 96.1665 96.4072 96.5710 96.6271 96.6735 96.7238 96.8693 96.9808 97.1198 97.2183 97.4537 97.5025 97.5893 97.7615 97.8858 97.9921 98.0783 98.2111 98.3088 98.4610 98.4756 98.5311 98.8143 98.9244 99.0032 99.0908 99.1764 99.3504 99.4112 99.5811 99.6875 99.7763 99.9275 100.2589 100.3093 100.4492 100.5611 100.8400 100.8832 100.9413 101.1159 101.2131 101.3434 101.5519 101.6828 102.1307 102.1903 102.2267 102.3814 102.4311 102.6784 102.8196 102.9524 103.1013 103.2224 103.3270 103.6517 103.7740 103.8863 103.9798 104.0960 104.2435 104.2645 104.5479 104.7358 104.8443 105.1267 105.3050 105.3510 105.5297 105.7657 105.7768 105.7862 105.8722 105.9464 106.0449 106.2041 106.3228 106.4672 106.5528 106.6876 106.7438 106.8854 106.9735 107.0960 107.1887 107.3919 107.5582 107.7109 107.8299 107.9922 108.0679 108.2754 108.4068 108.5843 108.8260 108.8833 109.0577 109.2894 109.3527 109.5434 109.8418 109.9416 110.0362 110.1101 110.2149 110.3221 110.4051 110.4460 110.5128 110.6791 110.8156 110.9930 111.0646 111.2009 111.4848 111.6325 111.7053 111.7777 111.8658 111.9797 112.2045 112.3751 112.4845 112.6027 112.7032 112.8503 113.0371 113.2116 113.2986 113.6793 113.7739 113.8179 114.0972 114.1818 114.2223 114.3711 114.4901 114.6791 114.7481 114.9773 115.1464 115.2239 115.3036 115.4039 115.5414 115.8147 115.8947 116.0592 116.2374 116.3936 116.4767 116.6900 116.8092 116.9256 116.9884 117.0572 117.3348 117.4400 117.4440 117.5937 117.6161 117.8622 117.8888 118.0321 118.2094 118.2964 118.4393 118.5267 118.5741 118.6313 118.7482 118.7907 119.0965 119.1224 119.1616 119.4263 119.5754 119.6609 119.7431 119.8017 120.0031 120.1641 120.2644 120.5199 120.6051 120.8091 120.8811 121.0469 121.2357 121.5370 121.5749 121.7493 121.9320 122.0512 122.2273 122.2616 122.4136 122.4540 122.6297 122.9159 123.1478 123.2970 123.3833 123.4921 123.9013 124.1816 124.4681 124.6935 124.8625 125.0265 125.0733 125.3752 125.8369 125.9658 126.0865 126.1553 126.5021 126.6034 126.6312 126.8288 126.9603 127.0510 127.2925 127.3905 127.4264 128.0117 128.2674 128.3663 128.7816 128.8904 129.1629 129.3006 129.4018 129.4693 129.7653 129.9468 130.0011 130.1286 130.2952 130.7594 130.9928 131.1713 131.2203 131.3665 131.4289 131.7585 131.7932 131.8737 131.8974 132.0137 132.1212 132.4023 132.4964 132.7326 132.9322 133.1556 133.2322 133.3457 133.4933 133.5907 133.6382 133.9508 134.1188 134.5115 134.9254 135.4839 135.6562 135.6657 135.8851 136.1485 136.3825 136.5579 137.3586 137.5960 137.7980 138.0486 138.3844 138.4274 138.5106 138.8088 138.8654 139.1707 139.2995 139.4198 139.6490 139.7336 139.8136 140.1192 140.2526 141.0187 141.2112 141.5547 141.9134 141.9563 142.0270 142.7075 142.7887 143.0749 143.3854 143.6913 143.7814 143.9105 144.1287 144.5410 144.7199 144.7490 144.9424 144.9892 145.1891 145.4920 145.6990 145.9884 146.2826 146.4257 146.6774 147.0753 147.4142 147.5768 147.6622 148.1125 148.2331 148.3937 148.4362 148.5272 148.6962 149.0267 149.5391 149.7125 149.8615 150.0614 150.2647 150.4977 150.7202 150.7847 151.0372 151.3406 151.5841 151.7919 152.0571 152.4915 152.6098 152.9281 153.3724 153.9051 154.0370 154.5382 154.7987 154.9285 155.1357 155.4164 155.8633 156.6190 156.8974 157.2471 157.5324 157.6719 157.7714 157.9347 158.1963 158.7400 158.8736 159.2346 159.3465 159.7078 159.9494 160.1664 160.4217 160.6068 160.9207 161.1584 161.5499 161.7949 162.1218 162.5455 163.2299 164.0847 164.5450 165.8040 166.7143 167.9586 168.5688 169.5805 170.3319 171.3185 172.2730 172.9371 173.2815 174.6846 175.9499 177.0638 177.6097 179.0069 179.3293 180.8380 181.9029 182.5565 186.1481 187.0474 188.1494 188.6583 188.9146 189.3210 190.1512 191.0372 192.7155 193.1547 193.8681 195.4414 196.0947 196.4396 198.4087 200.0387 201.6063 205.9777 206.3743 206.6027 207.9841 212.7381 221.6204 222.9191 223.5001 224.0912 224.8066 225.5930 227.3882 228.3535 229.6147 229.7588 230.0210 235.8700 241.0971 247.8692 248.9054 294.9021 297.4987 298.5359 301.6655 312.5821 313.3974 616.0058 618.3581 621.0974 622.0938 625.7545 627.7263 629.6817 631.4675 632.3413 632.5444 632.9220 633.5113 634.6945 635.0405 635.5209 636.0183 637.1865 637.3805 637.7906 638.7847 641.8532 641.9848 643.4522 647.5078 650.7880 655.6174 656.1041 658.5079 711.5351 713.5515 876.8284 1200.2466 1213.0041 1215.3298 1563.1050 -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 -0.114790 -0.092033 -0.206794 -0.279286 -0.429103 -0.324131 -0.083602 0.103152 0.001786 -0.059348 -0.298022 -0.265455 -0.079425 0.368233 -0.002237 0.362105 0.097773 0.005707 -0.172294 -0.256605 -0.228890 -0.163072 -0.131992 -0.143625 -0.181469 0.111184 0.185116 -0.163459 0.212687 0.306528 -0.244607 -0.167297 -0.137079 -0.196749 -0.146223 0.099597 0.102490 0.090169 0.106962 0.101239 0.097136 0.094361 0.102407 0.132247 0.149229 0.134309 0.141301 0.122171 0.142901 0.142977 0.147813 0.152362 0.141011 0.149033 0.152556 0.155590 0.155456 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 17.1148 17.0920 9.2068 8.2793 8.4291 8.3241 7.0836 5.8968 5.9982 6.0593 6.2980 6.2655 6.0794 5.6318 6.0022 5.6379 5.9022 5.9943 6.1723 6.2566 6.2289 6.1631 6.1320 6.1436 6.1815 5.8888 5.8149 6.1635 5.7873 5.6935 6.2446 6.1673 6.1371 6.1967 6.1462 0.9004 0.8975 0.9098 0.8930 0.8988 0.9029 0.9056 0.8976 0.8678 0.8508 0.8657 0.8587 0.8778 0.8571 0.8570 0.8522 0.8476 0.8590 0.8510 0.8474 0.8444 0.8445 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 -0.1148 -0.0920 -0.2068 -0.2793 -0.4291 -0.3241 -0.0836 0.1032 0.0018 -0.0593 -0.2980 -0.2655 -0.0794 0.3682 -0.0022 0.3621 0.0978 0.0057 -0.1723 -0.2566 -0.2289 -0.1631 -0.1320 -0.1436 -0.1815 0.1112 0.1851 -0.1635 0.2127 0.3065 -0.2446 -0.1673 -0.1371 -0.1967 -0.1462 0.0996 0.1025 0.0902 0.1070 0.1012 0.0971 0.0944 0.1024 0.1322 0.1492 0.1343 0.1413 0.1222 0.1429 0.1430 0.1478 0.1524 0.1410 0.1490 0.1526 0.1556 0.1555 1.2224 1.2140 1.0878 2.1080 2.0732 2.0954 3.1100 3.8344 3.7942 3.8251 3.9191 3.8996 3.7462 4.1691 3.7818 3.7340 3.4920 3.6658 3.9658 4.0076 4.0649 4.0159 3.9694 3.9389 3.9396 3.8446 3.6994 3.8724 4.0713 3.6632 3.9708 3.8253 3.8613 3.8984 3.8206 1.0371 1.0240 1.0049 0.9986 1.0011 1.0005 1.0105 1.0002 1.0035 1.0133 1.0268 1.0052 1.0278 1.0075 1.0059 0.9999 0.9968 1.0093 1.0065 0.9909 0.9946 0.9892 1.2224 1.2140 1.0878 2.1080 2.0732 2.0954 3.1100 3.8344 3.7942 3.8251 3.9191 3.8996 3.7462 4.1691 3.7818 3.7340 3.4920 3.6658 3.9658 4.0076 4.0649 4.0159 3.9694 3.9389 3.9396 3.8446 3.6994 3.8724 4.0713 3.6632 3.9708 3.8253 3.8613 3.8984 3.8206 1.0371 1.0240 1.0049 0.9986 1.0011 1.0005 1.0105 1.0002 1.0035 1.0133 1.0268 1.0052 1.0278 1.0075 1.0059 0.9999 0.9968 1.0093 1.0065 0.9909 0.9946 0.9892 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 1.1240 1.0059 1.0786 1.1176 0.8907 1.9100 0.9536 0.9680 3.0525 0.9537 0.9256 0.9311 0.9422 0.8225 1.0067 0.9906 1.0215 0.9984 0.9930 0.9960 0.9879 0.9899 0.9862 0.9955 1.7490 0.9575 0.9336 0.8965 0.9346 0.9823 1.3251 1.3055 1.3538 1.3742 1.4661 0.9760 1.4745 1.0049 1.3894 0.9794 1.3562 0.9815 1.3607 0.9698 1.4035 0.9802 1.3939 1.4178 0.9813 1.3531 1.3332 1.4390 1.0019 1.3919 0.9742 1.3487 0.9954 1.4052 0.9897 0.9869 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 -0.038482750 -2381.048779471166 -6.43010 6.93113 0.50102 27.68220 -25.81776 1.86444 -12.00955 10.47052 -1.53903 2.46896 6.27559