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:.4316,1.067,1.5295;6.9002,-1.0622,.2707;-4.091,-4.6961,-.8969;-2.6736,1.3131,-.4182;-2.9413,3.2866,.5888;-1.6968,-3.633,-.7859;-3.1158,.8305,2.9258;-.5754,4.2943,-1.2383;.0337,3.5614,-.0971;-1.0883,2.9086,-.9018;.1863,4.3769,-2.5396;-1.4023,5.5232,-.9509;1.3638,2.9206,-.1332;-2.3212,2.5895,-.1763;1.6598,1.8056,.5338;-3.6943,.7338,.3716;2.9476,1.0995,.4926;-3.8074,-.7217,-.01;3.4735,.4618,1.6156;3.6684,1.0515,-.7009;-3.3539,.8212,1.8;4.6914,-.1946,1.5566;4.8871,.3978,-.7734;-2.6496,-1.4675,-.2204;-5.0558,-1.3106,-.1003;5.3891,-.223,.359;-2.7461,-2.8133,-.5264;-5.1574,-2.6638,-.3989;-4.0116,-3.3932,-.6056;-.4082,-3.1767,-.5867;.4091,-3.0327,-1.6952;.0626,-2.9269,.6941;1.7302,-2.6435,-1.5146;1.3801,-2.5243,.8588;2.2171,-2.3862,-.2411;-.2783,3.9045,.8862;-.7632,2.1271,-1.5783;.902,5.2002,-2.5099;-.4973,4.5609,-3.3694;.7367,3.4623,-2.7622;-.7723,6.4097,-1.04;-1.831,5.5275,.0484;-2.2154,5.6244,-1.6712;2.1507,3.377,-.724;-4.653,1.2411,.2263;2.9381,.4731,2.5554;3.2684,1.5095,-1.5958;-1.6765,-.9996,-.144;5.0856,-.6808,2.4384;5.426,.3615,-1.7101;-5.9519,-.7267,.0623;-6.123,-3.1459,-.4745;.0219,-3.2324,-2.6861;-.5876,-3.0448,1.5521;2.3769,-2.537,-2.3755;1.7543,-2.3236,1.8539;3.2463,-2.0818,-.1046; 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 4007.5478264779 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 6.558e-06 Time for diagonalization 0.357 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.336 sec Total time needed 0.701 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:.4316,1.067,1.5295;6.9002,-1.0622,.2707;-4.091,-4.6961,-.8969;-2.6736,1.3131,-.4182;-2.9413,3.2866,.5888;-1.6968,-3.633,-.7859;-3.1158,.8305,2.9258;-.5754,4.2943,-1.2383;.0337,3.5614,-.0971;-1.0883,2.9086,-.9018;.1863,4.3769,-2.5396;-1.4023,5.5232,-.9509;1.3638,2.9206,-.1332;-2.3212,2.5895,-.1763;1.6598,1.8056,.5338;-3.6943,.7338,.3716;2.9476,1.0995,.4926;-3.8074,-.7217,-.01;3.4735,.4618,1.6156;3.6684,1.0515,-.7009;-3.3539,.8212,1.8;4.6914,-.1946,1.5566;4.8871,.3978,-.7734;-2.6496,-1.4675,-.2204;-5.0558,-1.3106,-.1003;5.3891,-.223,.359;-2.7461,-2.8133,-.5264;-5.1574,-2.6638,-.3989;-4.0116,-3.3932,-.6056;-.4082,-3.1767,-.5867;.4091,-3.0327,-1.6952;.0626,-2.9269,.6941;1.7302,-2.6435,-1.5146;1.3801,-2.5243,.8588;2.2171,-2.3862,-.2411;-.2783,3.9045,.8862;-.7632,2.1271,-1.5783;.902,5.2002,-2.5099;-.4973,4.5609,-3.3694;.7367,3.4623,-2.7622;-.7723,6.4098,-1.04;-1.831,5.5275,.0484;-2.2154,5.6244,-1.6712;2.1507,3.377,-.724;-4.653,1.2411,.2263;2.9381,.4731,2.5554;3.2684,1.5095,-1.5958;-1.6765,-.9996,-.144;5.0856,-.6808,2.4384;5.426,.3615,-1.7101;-5.9519,-.7267,.0623;-6.123,-3.1459,-.4745;.0219,-3.2324,-2.6861;-.5876,-3.0448,1.5521;2.3769,-2.537,-2.3755;1.7543,-2.3236,1.8539;3.2463,-2.0818,-.1046; 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:.4316,1.067,1.5295;6.9002,-1.0622,.2707;-4.091,-4.6961,-.8969;-2.6736,1.3131,-.4182;-2.9413,3.2866,.5888;-1.6968,-3.633,-.7859;-3.1158,.8305,2.9258;-.5754,4.2943,-1.2383;.0337,3.5614,-.0971;-1.0883,2.9086,-.9018;.1863,4.3769,-2.5396;-1.4023,5.5232,-.9509;1.3638,2.9206,-.1332;-2.3212,2.5895,-.1763;1.6598,1.8056,.5338;-3.6943,.7338,.3716;2.9476,1.0995,.4926;-3.8074,-.7217,-.01;3.4735,.4618,1.6156;3.6684,1.0515,-.7009;-3.3539,.8212,1.8;4.6914,-.1946,1.5566;4.8871,.3978,-.7734;-2.6496,-1.4675,-.2204;-5.0558,-1.3106,-.1003;5.3891,-.223,.359;-2.7461,-2.8133,-.5264;-5.1574,-2.6638,-.3989;-4.0116,-3.3932,-.6056;-.4082,-3.1767,-.5867;.4091,-3.0327,-1.6952;.0626,-2.9269,.6941;1.7302,-2.6435,-1.5146;1.3801,-2.5243,.8588;2.2171,-2.3862,-.2411;-.2783,3.9045,.8862;-.7632,2.1271,-1.5783;.902,5.2002,-2.5099;-.4973,4.5609,-3.3694;.7367,3.4623,-2.7622;-.7723,6.4097,-1.04;-1.831,5.5275,.0484;-2.2154,5.6244,-1.6712;2.1507,3.377,-.724;-4.653,1.2411,.2263;2.9381,.4731,2.5554;3.2684,1.5095,-1.5958;-1.6765,-.9996,-.144;5.0856,-.6808,2.4384;5.426,.3615,-1.7101;-5.9519,-.7267,.0623;-6.123,-3.1459,-.4745;.0219,-3.2324,-2.6861;-.5876,-3.0448,1.5521;2.3769,-2.537,-2.3755;1.7543,-2.3236,1.8539;3.2463,-2.0818,-.1046; 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 3304 GEPOL Volume 3503.2006 GEPOL Surface-area 1862.1166 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2380.99515733 4007.54782648 -6388.54298381 -11235.08239797 4846.53941416 -0.04465637 -4754.48104189 2373.48588456 2.00316382 132.000030835462 132.000030835462 264.000061670924 -182.585649659121 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 -2765.3314 -2765.2799 -675.0642 -525.1985 -524.8417 -523.4200 -392.8996 -283.7254 -282.8482 -282.2471 -281.9583 -281.5710 -281.5381 -281.5281 -281.2733 -280.5753 -280.4582 -280.4419 -280.2746 -280.1867 -280.1361 -280.0995 -280.0835 -280.0820 -280.0670 -280.0651 -280.0576 -280.0505 -279.8452 -279.8406 -279.8289 -279.8141 -279.6951 -279.2389 -279.1836 -260.6044 -260.5507 -199.4365 -199.3801 -199.2068 -199.1966 -199.1597 -199.1401 -36.9795 -34.1682 -33.1342 -31.5595 -28.4249 -27.9515 -27.6943 -27.3638 -27.1837 -26.7409 -26.0918 -25.4768 -24.3315 -24.2372 -23.8893 -23.7352 -23.6722 -23.4367 -23.1840 -22.7265 -21.8852 -21.3882 -20.8876 -20.1612 -20.1259 -19.9983 -19.7722 -19.4386 -19.0096 -18.4683 -18.2157 -17.9814 -17.7738 -17.6283 -17.0387 -17.0079 -16.6754 -16.6430 -16.3388 -16.2820 -16.0074 -15.7309 -15.7046 -15.6987 -15.3355 -15.2624 -14.9877 -14.9822 -14.9551 -14.6312 -14.5313 -14.4428 -14.3010 -14.2768 -13.9922 -13.9337 -13.8480 -13.8256 -13.6575 -13.5276 -13.2773 -13.1914 -13.1210 -12.9238 -12.8397 -12.8353 -12.6514 -12.5856 -12.5146 -12.3741 -12.3204 -12.2309 -12.0727 -11.9489 -11.8668 -11.7898 -11.6926 -11.3181 -11.1919 -10.7538 -10.6386 -10.3200 -9.8313 -9.6961 -9.6374 -9.4332 -9.3522 -8.7227 -8.4972 0.5641 1.0130 1.2962 1.4485 1.6974 1.8034 1.8593 2.5005 2.5356 2.9948 3.0692 3.2057 3.5070 3.6813 3.7228 3.8266 3.8894 4.1586 4.3256 4.4221 4.5169 4.5918 4.7217 4.8669 4.9697 5.1075 5.1489 5.3008 5.3626 5.5074 5.6202 5.7164 5.8108 5.8544 5.9101 6.0417 6.0712 6.2087 6.2541 6.2851 6.4071 6.5721 6.6046 6.7306 6.7507 6.8927 7.0513 7.0989 7.1108 7.2538 7.3131 7.4522 7.5561 7.6353 7.7268 7.7900 7.9022 7.9204 8.0879 8.1623 8.2083 8.3270 8.3884 8.4417 8.5930 8.6427 8.7050 8.8893 8.9160 8.9335 9.0245 9.0601 9.1486 9.2190 9.3129 9.5443 9.6137 9.6693 9.7401 9.7838 9.8850 9.9376 10.0525 10.1757 10.3111 10.3641 10.4286 10.5219 10.6210 10.7095 10.7660 10.8864 10.9322 11.0928 11.1393 11.1584 11.2055 11.2948 11.4262 11.4722 11.5919 11.6874 11.7315 11.7510 11.8667 11.9143 12.0091 12.0672 12.1591 12.2582 12.3469 12.3798 12.4977 12.5137 12.5970 12.6574 12.7287 12.8077 12.9093 13.0094 13.0638 13.1220 13.1992 13.2895 13.3270 13.4396 13.4552 13.6082 13.7122 13.7734 13.8557 13.9267 13.9584 14.0096 14.0780 14.2073 14.2683 14.3028 14.3969 14.5631 14.5809 14.6745 14.7997 14.8162 14.9003 15.0276 15.1083 15.1302 15.2032 15.3575 15.3832 15.4227 15.4854 15.5429 15.6409 15.8329 15.8729 15.9340 15.9836 16.0525 16.1624 16.2406 16.2969 16.3936 16.5271 16.5709 16.7466 16.8776 16.9297 17.0091 17.2149 17.2285 17.3791 17.4839 17.5524 17.5897 17.6646 17.8381 17.8967 18.0471 18.0918 18.1891 18.2900 18.3792 18.4347 18.6467 18.7419 18.8546 18.9527 18.9908 19.1149 19.2778 19.4505 19.5569 19.6108 19.6945 19.7799 19.9216 20.0766 20.0835 20.1440 20.2248 20.3118 20.5597 20.6354 20.6766 20.6933 20.8713 20.9258 21.0752 21.1545 21.1713 21.2164 21.3150 21.4414 21.6414 21.6850 21.7758 21.8392 21.8842 21.9415 21.9765 22.1556 22.3538 22.4396 22.5738 22.6342 22.7608 22.7965 22.9346 23.0346 23.1415 23.2639 23.4487 23.4845 23.6075 23.6126 23.8683 23.9238 23.9646 24.1391 24.2197 24.3586 24.4138 24.6869 24.8232 24.9505 25.0316 25.1674 25.1841 25.3012 25.4522 25.5842 25.6968 25.7542 25.8317 25.8959 25.9213 26.0978 26.2075 26.3341 26.3822 26.5070 26.6548 26.7887 27.0642 27.1193 27.1667 27.3575 27.3878 27.4959 27.6456 27.7982 27.9494 27.9668 28.2503 28.3167 28.4375 28.5619 28.6306 28.7780 28.9876 29.1323 29.1768 29.3358 29.3520 29.4843 29.6040 29.7517 29.8220 29.8959 29.9518 30.0469 30.2075 30.3065 30.3665 30.5572 30.6616 30.7470 30.8572 30.9235 30.9848 31.1357 31.2454 31.4132 31.5046 31.6532 31.8111 32.0152 32.0446 32.1793 32.1842 32.3450 32.4212 32.4858 32.6824 32.7731 32.8739 33.0640 33.1264 33.2490 33.3256 33.4043 33.5299 33.6682 33.7884 33.9578 34.0508 34.1904 34.3027 34.4701 34.5414 34.7283 34.8884 34.9277 35.0390 35.1049 35.2465 35.4491 35.6237 35.6846 35.8936 36.0246 36.1325 36.1861 36.2635 36.4061 36.5080 36.5695 36.6678 36.8315 36.9480 37.0347 37.1254 37.1612 37.4106 37.4729 37.6520 37.7426 37.8404 37.9291 37.9829 38.0812 38.2733 38.2968 38.3350 38.4508 38.6029 38.7273 38.7820 38.8314 38.9440 39.0373 39.1761 39.2657 39.3872 39.4242 39.5290 39.5980 39.6651 39.6943 39.8192 39.9108 39.9854 40.2535 40.3610 40.4470 40.5088 40.5312 40.7001 40.8471 41.0589 41.1948 41.3265 41.5636 41.6307 41.7620 41.8755 41.9943 42.1724 42.3447 42.5111 42.5761 42.8723 42.9851 43.0399 43.0906 43.2555 43.3233 43.4244 43.5569 43.7305 43.7757 43.8924 44.0195 44.1950 44.2449 44.3668 44.4132 44.4952 44.5529 44.7135 44.8185 44.8599 44.9484 44.9965 45.0804 45.2563 45.3312 45.4086 45.5103 45.5858 45.7251 45.8118 46.0638 46.1077 46.2421 46.4046 46.6393 46.6820 46.7758 46.9411 47.1343 47.3462 47.4483 47.5585 47.5702 47.7165 47.8228 47.8856 48.1556 48.2069 48.3814 48.5248 48.6063 48.8812 49.0120 49.1358 49.2912 49.3917 49.4727 49.5400 49.6398 49.8425 49.9731 50.0340 50.2644 50.3697 50.5484 50.6677 51.0266 51.1237 51.3102 51.5005 51.6276 51.7363 51.8843 52.0582 52.1619 52.4216 52.5187 52.6520 52.7489 53.0261 53.1571 53.1887 53.3002 53.6309 53.7289 53.8516 53.9754 54.0114 54.2572 54.5316 54.7605 54.8209 54.9564 55.0925 55.3265 55.4576 55.5199 55.6261 55.9698 56.0432 56.1006 56.2470 56.5579 56.6638 56.9408 56.9921 57.1442 57.2077 57.3549 57.5125 57.6541 57.7148 57.8024 57.9582 58.0301 58.2502 58.3932 58.4459 58.5113 58.7441 58.7865 59.1115 59.1545 59.3845 59.4450 59.5118 59.7582 59.9203 59.9559 60.1009 60.3083 60.6317 60.7037 60.8811 60.9708 61.3628 61.4033 61.4785 61.5391 61.8764 62.1519 62.4403 62.5533 62.7254 62.9607 63.0497 63.0642 63.2738 63.3024 63.5833 63.7326 63.8669 63.9541 64.1371 64.2821 64.5702 64.6535 64.7424 64.8459 64.9424 65.1105 65.4235 65.4493 65.5741 65.6759 66.0199 66.0653 66.1709 66.2935 66.5245 66.5902 66.7289 66.9380 67.0898 67.2675 67.3096 67.5008 67.6201 67.7744 67.8979 67.9905 68.0938 68.2697 68.3502 68.6881 68.8376 69.0573 69.4043 69.5271 69.7113 69.8007 70.1439 70.2433 70.5168 70.7080 71.0490 71.2343 71.3944 71.6876 71.9865 71.9989 72.3268 72.5501 72.8122 73.0762 73.2094 73.4897 73.6398 73.7050 73.9464 74.1623 74.4132 74.5870 74.6689 74.9199 74.9611 75.2707 75.4166 75.4980 75.8253 75.9490 76.1325 76.1677 76.4005 76.6011 76.6908 76.7829 77.0314 77.1786 77.2596 77.3943 77.5115 77.6987 77.7516 77.8659 77.8979 78.0375 78.1215 78.2184 78.4813 78.5152 78.6313 78.7744 78.8952 78.9802 79.1506 79.2514 79.4357 79.4875 79.5834 79.7233 79.7571 79.8087 79.9077 80.0267 80.1436 80.2868 80.3293 80.3986 80.5450 80.7353 80.8448 80.9901 81.1674 81.2249 81.4194 81.4727 81.5573 81.7338 81.8542 82.0366 82.0676 82.1538 82.2139 82.3365 82.3851 82.4660 82.6103 82.7021 82.7920 82.8900 82.9857 83.1029 83.1978 83.2936 83.3469 83.5239 83.6137 83.6560 83.7326 83.9187 84.0725 84.2150 84.3035 84.5171 84.5541 84.6055 84.7155 84.8568 85.0972 85.1568 85.2995 85.3742 85.4734 85.5129 85.6378 85.6700 85.8056 86.0290 86.0927 86.1837 86.3240 86.4201 86.5297 86.6053 86.7636 86.8115 86.9500 87.0695 87.1933 87.2972 87.3524 87.4105 87.5767 87.7266 87.9445 88.0009 88.0663 88.2402 88.4396 88.5254 88.5382 88.7029 88.7370 88.8851 88.9513 89.0848 89.1691 89.2394 89.2664 89.3908 89.5085 89.5291 89.6091 89.7845 89.8287 89.9206 90.1116 90.1807 90.3063 90.4525 90.5951 90.6406 90.7450 90.7711 90.8842 91.0100 91.1721 91.3784 91.4948 91.5369 91.6647 91.7363 91.7963 91.8758 92.0105 92.1571 92.2645 92.3639 92.4335 92.5675 92.6729 92.6927 92.8392 92.9146 92.9852 93.0696 93.1047 93.2819 93.3837 93.4672 93.6707 93.7590 93.8708 93.9038 93.9706 94.0679 94.1473 94.2068 94.4506 94.6312 94.7749 94.8141 94.9868 95.1112 95.1454 95.2255 95.4001 95.4466 95.5595 95.6808 95.8976 95.9603 96.0061 96.0858 96.1936 96.4122 96.4351 96.6907 96.7455 96.8852 96.9544 97.1006 97.1722 97.2508 97.4607 97.5946 97.7497 97.9259 98.0418 98.0837 98.1940 98.3391 98.4104 98.5232 98.6110 98.6438 98.7511 98.9033 99.0296 99.2226 99.3259 99.4418 99.4823 99.6648 99.7648 99.8368 99.9725 100.0162 100.1110 100.3387 100.6220 100.7602 100.9170 101.1721 101.3724 101.5193 101.6497 101.8798 101.9915 102.0498 102.2231 102.3369 102.4033 102.5820 102.7086 102.8787 102.9814 103.0690 103.2137 103.3611 103.4973 103.6340 103.7478 104.0142 104.1752 104.3039 104.4979 104.7495 104.8350 104.8554 105.1859 105.3554 105.4263 105.5839 105.6227 105.7179 105.8175 105.8480 105.9976 106.1417 106.1636 106.3414 106.4485 106.5704 106.8379 106.9611 107.0885 107.1776 107.2666 107.2756 107.3963 107.5030 107.6009 107.8711 108.0195 108.0756 108.2570 108.5148 108.6421 108.7643 108.8157 109.1163 109.2386 109.4143 109.4555 109.5474 109.7389 109.7804 109.9605 110.0853 110.1663 110.2575 110.3303 110.5208 110.7593 110.9091 111.0036 111.1001 111.2531 111.3490 111.7303 111.7933 111.8842 111.9477 112.0512 112.2620 112.3818 112.5848 112.6902 112.7394 112.9757 113.0920 113.3220 113.5752 113.7381 113.7491 113.8032 114.0302 114.1975 114.3729 114.5645 114.6091 114.6427 114.7539 115.0308 115.0397 115.2824 115.3505 115.5346 115.6515 115.7002 115.8733 116.0525 116.1372 116.2075 116.3554 116.3590 116.6363 116.9297 116.9938 117.0784 117.1161 117.2153 117.4072 117.5347 117.7227 117.7479 117.8227 117.8941 117.9722 118.0807 118.2598 118.4247 118.5060 118.5466 118.6151 118.8184 118.8985 119.1388 119.3856 119.4648 119.6340 119.7014 119.7160 119.9301 120.0085 120.0959 120.1940 120.3662 120.3845 120.6444 120.8470 120.9850 121.1847 121.2821 121.3927 121.5711 121.7116 121.9994 122.1521 122.2345 122.2983 122.5301 122.5551 122.6960 122.7916 123.1491 123.3757 123.5526 123.7512 124.0940 124.4556 124.6616 125.0268 125.1404 125.3141 125.6471 125.8913 126.0651 126.3055 126.4085 126.7313 126.7371 126.8244 127.0195 127.0818 127.2839 127.4099 127.8461 127.8713 128.2647 128.3635 128.4373 128.8664 128.9300 129.0413 129.1919 129.3213 129.7192 129.7770 129.9861 130.3221 130.4863 130.6626 130.7951 130.9262 131.0367 131.3057 131.5236 131.6749 131.7732 131.9067 132.0025 132.0975 132.1762 132.4543 132.4565 132.4800 132.7884 132.8311 133.0310 133.2118 133.2648 133.4898 133.6082 134.0095 134.4546 134.5960 135.0451 135.1397 135.3420 135.5254 135.8585 136.1037 136.1313 136.8059 137.0933 137.6417 137.8873 137.9550 138.2299 138.4047 138.4488 138.6448 138.8577 139.2319 139.3182 139.4711 139.9416 140.1293 140.4194 140.5488 140.8044 141.0455 141.2167 141.3651 141.6318 142.1592 142.2767 142.6810 143.1624 143.2796 143.3983 143.7129 143.8042 143.9648 144.1725 144.4773 144.5229 144.6836 144.9863 145.1217 145.3482 145.4054 145.6587 146.0064 146.1498 146.4516 146.8287 147.0380 147.3337 147.6556 147.7099 147.9366 148.2180 148.4190 148.6077 148.6553 149.0591 149.2128 149.2329 149.6033 149.7313 149.9031 150.0649 150.3725 150.6316 150.7508 150.8679 151.1789 151.3063 151.6168 151.7595 152.2243 152.2894 152.6526 152.8367 153.5903 153.8128 154.0866 154.6235 154.9653 155.1775 155.3130 155.9087 156.1421 156.4907 156.8470 157.0194 157.6640 157.7306 157.8850 158.0398 158.2296 158.7960 159.0905 159.2926 159.6034 159.7490 159.9112 160.5070 160.5907 160.9931 161.1844 161.3042 161.5918 161.9551 162.4119 162.5441 163.4942 163.8529 165.6821 165.9981 166.4264 168.6778 169.7005 171.2532 171.5818 172.3266 172.6070 173.6297 174.8135 174.9348 176.5162 177.8593 178.4222 179.1166 181.1115 181.8824 183.2790 185.0239 186.5043 187.0759 188.6306 189.1880 189.2837 189.7661 190.2974 192.5083 192.6632 193.3319 195.6396 195.9867 196.1642 198.9797 199.9931 200.7689 205.2332 205.3507 206.6442 207.4993 212.9250 221.6134 222.9326 224.2571 224.4001 224.8146 225.0616 227.3228 228.3624 229.6501 229.7098 229.8120 235.8958 240.9813 247.8357 248.8926 295.1474 297.4864 298.6662 301.9191 313.0026 313.3213 615.7811 617.5280 619.7678 620.7213 626.1255 626.8968 629.5316 631.0239 631.4219 632.7828 633.0904 633.5866 634.3258 635.2303 635.4970 635.7090 636.6785 636.7847 637.4754 638.4192 641.4276 642.2423 642.7495 647.8041 651.0499 655.5604 655.8312 658.3324 712.4609 714.5778 878.3565 1200.0493 1212.8004 1215.1901 1563.1406 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 -0.119132 -0.098094 -0.212204 -0.275640 -0.462988 -0.332536 -0.098314 0.152751 -0.067284 -0.108150 -0.280702 -0.282009 -0.153685 0.382175 0.136175 0.429495 0.088662 -0.028676 -0.237820 -0.225024 -0.243280 -0.125255 -0.138983 -0.146867 -0.196276 0.102066 0.208862 -0.149936 0.190318 0.242433 -0.179373 -0.157384 -0.180673 -0.207774 -0.132883 0.119362 0.102035 0.103171 0.099933 0.092091 0.095652 0.092829 0.103374 0.144018 0.138510 0.135238 0.152001 0.117480 0.142767 0.144297 0.150836 0.152675 0.150541 0.158083 0.156945 0.157756 0.198413 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 17.1191 17.0981 9.2122 8.2756 8.4630 8.3325 7.0983 5.8472 6.0673 6.1082 6.2807 6.2820 6.1537 5.6178 5.8638 5.5705 5.9113 6.0287 6.2378 6.2250 6.2433 6.1253 6.1390 6.1469 6.1963 5.8979 5.7911 6.1499 5.8097 5.7576 6.1794 6.1574 6.1807 6.2078 6.1329 0.8806 0.8980 0.8968 0.9001 0.9079 0.9043 0.9072 0.8966 0.8560 0.8615 0.8648 0.8480 0.8825 0.8572 0.8557 0.8492 0.8473 0.8495 0.8419 0.8431 0.8422 0.8016 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 -0.1191 -0.0981 -0.2122 -0.2756 -0.4630 -0.3325 -0.0983 0.1528 -0.0673 -0.1082 -0.2807 -0.2820 -0.1537 0.3822 0.1362 0.4295 0.0887 -0.0287 -0.2378 -0.2250 -0.2433 -0.1253 -0.1390 -0.1469 -0.1963 0.1021 0.2089 -0.1499 0.1903 0.2424 -0.1794 -0.1574 -0.1807 -0.2078 -0.1329 0.1194 0.1020 0.1032 0.0999 0.0921 0.0957 0.0928 0.1034 0.1440 0.1385 0.1352 0.1520 0.1175 0.1428 0.1443 0.1508 0.1527 0.1505 0.1581 0.1569 0.1578 0.1984 1.2296 1.2038 1.0768 2.1399 2.0346 2.0744 3.1041 3.7416 3.8994 3.8098 3.9162 3.8792 3.7998 4.1720 3.7311 3.7334 3.4551 3.8093 3.9614 3.9845 4.0279 3.9581 3.9647 3.9159 3.9301 3.8156 3.7582 3.8827 4.0421 3.6950 3.9901 3.9179 3.9457 3.8927 3.7840 1.0230 1.0283 0.9994 1.0026 1.0016 1.0010 1.0180 0.9987 0.9978 1.0145 1.0247 0.9999 1.0414 1.0071 1.0068 1.0010 0.9974 1.0024 0.9960 0.9948 0.9962 0.9506 1.2296 1.2038 1.0768 2.1399 2.0346 2.0744 3.1041 3.7416 3.8994 3.8098 3.9162 3.8792 3.7998 4.1720 3.7311 3.7334 3.4551 3.8093 3.9614 3.9845 4.0279 3.9581 3.9647 3.9159 3.9301 3.8156 3.7582 3.8827 4.0421 3.6950 3.9901 3.9179 3.9457 3.8927 3.7840 1.0230 1.0283 0.9994 1.0026 1.0016 1.0010 1.0180 0.9987 0.9978 1.0145 1.0247 0.9999 1.0414 1.0071 1.0068 1.0010 0.9974 1.0024 0.9960 0.9948 0.9962 0.9506 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 1.0952 0.9863 1.0630 1.1337 0.8993 1.8648 1.0145 0.8726 3.0479 0.9732 0.8843 0.9299 0.9228 0.8465 0.9737 1.0025 1.0304 1.0243 0.9972 0.9892 0.9890 0.9881 0.9918 0.9948 1.7944 0.9839 0.9243 0.9096 0.8939 0.9640 1.2772 1.3298 1.3540 1.4108 1.4615 1.0046 1.4600 0.9936 1.3616 0.9887 1.3674 0.9846 1.3947 0.9343 1.3794 0.9770 1.3214 1.4689 0.9862 1.4079 1.3559 1.4272 0.9852 1.4172 0.9900 1.4058 0.9844 1.3567 0.9875 0.9622 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 -0.036559568 -2381.031716898077 -3.71214 4.38369 0.67156 27.82034 -26.52703 1.29331 -13.99303 11.41373 -2.57930 2.96250 7.53008