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 F F F O O O N 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 H H H H H H H H H H H H H H H H H H H H H H 1 2 2 2 3 3 3 4 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:.2624,2.392,-2.5412;-3.3824,2.2478,2.3949;-4.018,2.0115,.3544;-3.5136,.2875,1.5374;3.3154,-.5042,-.4748;3.5691,-.3498,1.7387;-1.703,-1.3457,-1.2086;2.2596,2.0347,-.3736;4.8026,-3.3107,.8259;4.6956,2.1743,-.2544;3.4044,1.6794,.4234;4.6931,3.6961,-.3375;5.9329,1.6812,.4868;3.4461,.1779,.6677;.9689,1.8699,.0268;2.9858,-1.8881,-.3998;-.0939,2.0369,-.8791;.6152,1.5596,1.3499;1.5793,-2.0653,.1198;-1.7359,1.6604,.8249;-1.415,1.9411,-.4957;-.7055,1.4586,1.7373;.5501,-1.7059,-.7426;1.2934,-2.4907,1.4092;-3.1551,1.5544,1.2692;-.7668,-1.7575,-.311;3.9976,-2.6577,.3313;-.0281,-2.5334,1.8296;-1.0626,-2.1574,.9879;-2.9807,-1.8331,-1.2097;-3.2877,-3.1579,-.9247;-3.976,-.9437,-1.5917;-4.6088,-3.5774,-1.001;-5.2887,-1.3812,-1.6778;-5.6139,-2.696,-1.3739;4.7179,1.7686,-1.2721;3.3405,2.1528,1.4079;4.669,4.1433,.6589;3.8425,4.084,-.8977;5.5979,4.0472,-.8354;5.92,1.9877,1.5348;6.8299,2.1028,.032;6.0451,.5961,.4541;2.4241,2.085,-1.3678;3.0381,-2.2308,-1.4357;1.379,1.4073,2.0992;-2.1843,2.093,-1.2403;-.9186,1.2236,2.7724;.7662,-1.3797,-1.7537;2.0809,-2.7871,2.0893;-.2581,-2.853,2.8374;-2.082,-2.1883,1.3477;-2.5158,-3.8649,-.649;-3.7189,.0793,-1.8348;-4.848,-4.6079,-.7718;-6.0609,-.6848,-1.978;-6.6406,-3.0326,-1.4326; 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 1959 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 260 Dim 1404 ENuc 4112.1436659836 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 4.594e-06 Time for diagonalization 0.444 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.441 sec Total time needed 0.895 sec 17 9 9 9 8 8 8 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:.2624,2.392,-2.5412;-3.3824,2.2478,2.3949;-4.018,2.0115,.3544;-3.5136,.2875,1.5374;3.3154,-.5042,-.4748;3.5691,-.3498,1.7387;-1.703,-1.3457,-1.2086;2.2596,2.0347,-.3736;4.8026,-3.3107,.8259;4.6956,2.1743,-.2544;3.4044,1.6794,.4234;4.6931,3.6961,-.3375;5.9329,1.6812,.4868;3.4461,.1779,.6677;.9689,1.8699,.0268;2.9858,-1.8881,-.3998;-.0939,2.0369,-.8791;.6152,1.5596,1.3499;1.5793,-2.0653,.1198;-1.7359,1.6604,.8249;-1.415,1.9411,-.4957;-.7055,1.4586,1.7373;.5501,-1.7059,-.7426;1.2934,-2.4907,1.4092;-3.1551,1.5544,1.2692;-.7668,-1.7575,-.311;3.9976,-2.6577,.3313;-.0281,-2.5334,1.8296;-1.0626,-2.1574,.9879;-2.9807,-1.8331,-1.2097;-3.2877,-3.1579,-.9247;-3.976,-.9437,-1.5917;-4.6088,-3.5774,-1.001;-5.2887,-1.3812,-1.6778;-5.6139,-2.696,-1.3739;4.7179,1.7686,-1.2722;3.3405,2.1528,1.4079;4.669,4.1433,.6589;3.8425,4.084,-.8977;5.5979,4.0472,-.8354;5.92,1.9877,1.5348;6.8299,2.1028,.032;6.0451,.5961,.4541;2.4241,2.085,-1.3678;3.0381,-2.2308,-1.4357;1.379,1.4073,2.0992;-2.1843,2.093,-1.2403;-.9186,1.2236,2.7724;.7662,-1.3797,-1.7537;2.0809,-2.7871,2.0893;-.258,-2.853,2.8374;-2.082,-2.1883,1.3477;-2.5158,-3.8649,-.649;-3.7189,.0793,-1.8348;-4.848,-4.6079,-.7718;-6.0609,-.6848,-1.978;-6.6406,-3.0326,-1.4326; 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" 480.7380095999996 AuxInfo=1/0/N:12,13,35,33,34,28,24,31,32,29,22,18,23,21,27,10,19,20,30,26,17,15,16,11,14,25,1,2,3,4,9,8,6,7,5/E:(1,2)(4,5)(8,9)(28,29,30)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,17.3,18.3,19.3,20.3,21.3,22.3,25.3,31.1,33.1/rA:57nClFFFOO1ONN1CCCCC3C3CC3C3C3C3C3C3C3C3CC3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s8s10;s10;s10;s5s6s11;s8;s5;s1s15;s15;s16;;s17s20;s18s20;s19;s19;s2s3s4s20;s7s23;s9s16;s24;s26s28;s7;s30;s30;s31;s32;s33s34;s10;s11;s12;s12;s12;s13;s13;s13;s8;s16;s18;s21;s22;s23;s24;s28;s29;s31;s32;s33;s34;s35;/rC:.2624,2.392,-2.5412;-3.3824,2.2478,2.3949;-4.018,2.0115,.3544;-3.5136,.2875,1.5374;3.3154,-.5042,-.4748;3.5691,-.3498,1.7387;-1.703,-1.3457,-1.2086;2.2596,2.0347,-.3736;4.8026,-3.3107,.8259;4.6956,2.1743,-.2544;3.4044,1.6794,.4234;4.6931,3.6961,-.3375;5.9329,1.6812,.4868;3.4461,.1779,.6677;.9689,1.8699,.0268;2.9858,-1.8881,-.3998;-.0939,2.0369,-.8791;.6152,1.5596,1.3499;1.5793,-2.0653,.1198;-1.7359,1.6604,.8249;-1.415,1.9411,-.4957;-.7055,1.4586,1.7373;.5501,-1.7059,-.7426;1.2934,-2.4907,1.4092;-3.1551,1.5544,1.2692;-.7668,-1.7575,-.311;3.9976,-2.6577,.3313;-.0281,-2.5334,1.8296;-1.0626,-2.1574,.9879;-2.9807,-1.8331,-1.2097;-3.2877,-3.1579,-.9247;-3.976,-.9437,-1.5917;-4.6088,-3.5774,-1.001;-5.2887,-1.3812,-1.6778;-5.6139,-2.696,-1.3739;4.7179,1.7686,-1.2721;3.3405,2.1528,1.4079;4.669,4.1433,.6589;3.8425,4.084,-.8977;5.5979,4.0472,-.8354;5.92,1.9877,1.5348;6.8299,2.1028,.032;6.0451,.5961,.4541;2.4241,2.085,-1.3678;3.0381,-2.2308,-1.4357;1.379,1.4073,2.0992;-2.1843,2.093,-1.2403;-.9186,1.2236,2.7724;.7662,-1.3797,-1.7537;2.0809,-2.7871,2.0893;-.2581,-2.853,2.8374;-2.082,-2.1883,1.3477;-2.5158,-3.8649,-.649;-3.7189,.0793,-1.8348;-4.848,-4.6079,-.7718;-6.0609,-.6848,-1.978;-6.6406,-3.0326,-1.4326; 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 3264 GEPOL Volume 3338.5342 GEPOL Surface-area 1825.9276 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.6s -2099.13076737 4112.14366598 -6211.27443335 -11058.96897781 4847.69454446 -0.03746518 -4190.92243121 2091.79166384 2.00350853 129.999778832399 129.999778832399 259.999557664797 -173.915100972736 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.4928 -675.3971 -675.3033 -675.2663 -525.3328 -524.7157 -523.6337 -393.1776 -392.8709 -286.5204 -283.7207 -282.9227 -281.7503 -281.6006 -281.5742 -281.5148 -281.2537 -281.2256 -280.5593 -280.3888 -280.2946 -280.2340 -280.0944 -279.9970 -279.9827 -279.9487 -279.9390 -279.9135 -279.8283 -279.8067 -279.7809 -279.7154 -279.6296 -279.2430 -279.1949 -260.7609 -199.5938 -199.3604 -199.3568 -39.1462 -36.6526 -36.5335 -34.3175 -33.0655 -31.7412 -29.6182 -28.4219 -27.6492 -27.2169 -26.6661 -26.4859 -25.6969 -25.2100 -24.3213 -24.2963 -23.7028 -23.5612 -23.4629 -23.0853 -22.7401 -22.0123 -21.6879 -20.7187 -20.5066 -20.2336 -20.0890 -19.8273 -19.4927 -19.2495 -19.1577 -19.1267 -18.8113 -18.3204 -18.1565 -17.7686 -17.5959 -17.0286 -16.9070 -16.7094 -16.3930 -16.1758 -16.1430 -15.8474 -15.7972 -15.7684 -15.6215 -15.4173 -15.2087 -15.1775 -14.8863 -14.8118 -14.7445 -14.6834 -14.5807 -14.4174 -14.2843 -14.2785 -14.1986 -14.0652 -14.0265 -13.8819 -13.8690 -13.7911 -13.3866 -13.2184 -13.0714 -12.9877 -12.9408 -12.9036 -12.5753 -12.5083 -12.4466 -12.3907 -12.3134 -12.1591 -12.1311 -12.0218 -11.8543 -11.8135 -11.7797 -11.5718 -11.4998 -11.4197 -10.5603 -9.7185 -9.5092 -9.4734 -9.4175 -8.4429 -8.1707 0.9355 1.1981 1.3734 1.4477 1.6670 1.8870 2.0695 2.5548 2.7612 2.9873 3.2399 3.6246 3.7239 3.7844 3.9829 4.1090 4.3572 4.4978 4.5251 4.6328 4.7742 4.8368 4.9294 5.0207 5.1982 5.3130 5.3432 5.4806 5.5847 5.6548 5.7513 5.8351 5.9654 6.0756 6.1109 6.2486 6.4437 6.4933 6.5693 6.6129 6.6630 6.7505 6.9280 7.0278 7.1134 7.1424 7.4042 7.4553 7.5245 7.6289 7.6934 7.8326 7.8507 7.9538 7.9798 8.0486 8.1110 8.1883 8.3442 8.4272 8.4756 8.5212 8.7118 8.7576 8.7842 8.9233 8.9678 9.0763 9.1116 9.2509 9.2776 9.3580 9.4104 9.4465 9.5415 9.5972 9.6974 9.8702 9.9955 10.1694 10.2205 10.2478 10.3166 10.3591 10.4951 10.6272 10.7544 10.8482 10.8649 11.0789 11.1624 11.2164 11.2455 11.3126 11.3427 11.4435 11.4840 11.5914 11.6798 11.7872 11.8603 11.9051 12.0542 12.1913 12.2397 12.2824 12.3820 12.4197 12.5684 12.6980 12.7222 12.8058 13.0403 13.1305 13.1863 13.2385 13.2815 13.3861 13.5344 13.5900 13.6136 13.8023 13.8325 13.8553 13.8775 13.9825 14.0269 14.0788 14.2701 14.3500 14.4735 14.5093 14.5729 14.6152 14.7071 14.7902 14.8769 14.8905 14.9733 15.0418 15.1634 15.2315 15.2672 15.2699 15.4348 15.5435 15.6186 15.7315 15.7753 15.8549 15.8867 16.0093 16.1398 16.2299 16.2440 16.3181 16.4713 16.5890 16.7617 16.8912 16.9731 17.0818 17.1427 17.2579 17.3589 17.4207 17.5036 17.6864 17.7217 17.9758 18.0155 18.1542 18.2157 18.3155 18.4326 18.5167 18.6629 18.8144 18.8496 18.9714 19.1307 19.2319 19.3539 19.5135 19.5952 19.7054 19.8309 19.9489 20.0064 20.0604 20.1334 20.2647 20.4255 20.5522 20.6222 20.7224 20.7517 20.9013 21.0445 21.0506 21.1529 21.3635 21.4082 21.5198 21.6411 21.6752 21.8228 21.9030 21.9954 22.1051 22.2608 22.3487 22.3827 22.5160 22.7142 22.7649 22.9520 23.0296 23.1984 23.2902 23.3344 23.4923 23.5381 23.6176 23.7353 23.8207 23.9065 23.9993 24.0869 24.3456 24.4793 24.6152 24.6899 24.8237 24.9008 24.9995 25.0643 25.1546 25.2167 25.3797 25.4219 25.5075 25.6207 25.6447 25.8533 25.9656 26.0068 26.2466 26.3124 26.4319 26.5686 26.7552 26.8568 26.9109 27.0741 27.1410 27.3511 27.5407 27.6399 27.6981 27.8336 27.8618 28.0109 28.2971 28.4152 28.4934 28.6066 28.6672 28.7396 28.8451 28.9199 28.9706 29.0601 29.3072 29.3490 29.3832 29.4899 29.6095 29.6632 29.8080 29.8393 29.9405 30.0205 30.2262 30.5077 30.6001 30.7113 30.7406 30.9152 31.1058 31.2308 31.4127 31.5254 31.5676 31.7816 31.9485 32.0769 32.1443 32.3653 32.4327 32.5024 32.5480 32.6268 32.9380 33.0281 33.0719 33.2992 33.3922 33.4710 33.5745 33.6162 33.7479 33.8606 34.1113 34.1657 34.3118 34.3486 34.4957 34.6075 34.7042 34.7861 34.8910 35.0078 35.1978 35.2870 35.3164 35.4377 35.5909 35.6547 35.8689 36.0638 36.1740 36.2009 36.3736 36.4822 36.4920 36.6716 36.8695 36.8884 37.0258 37.1203 37.1631 37.2338 37.3578 37.6239 37.6933 37.7730 37.9907 38.1089 38.2314 38.4062 38.4385 38.6224 38.7768 38.8386 38.9493 38.9570 39.0839 39.1751 39.1840 39.3671 39.4378 39.5637 39.6777 39.7784 39.9306 40.0766 40.1458 40.1797 40.3111 40.4429 40.5722 40.6339 40.6679 40.9104 40.9759 41.0620 41.2699 41.3532 41.5423 41.5772 41.6739 41.7508 41.8668 41.8987 42.1370 42.2853 42.4103 42.5342 42.6569 42.8178 42.9302 42.9558 42.9815 43.1230 43.2141 43.5330 43.6716 43.8110 43.8900 44.0439 44.2502 44.2841 44.4856 44.6263 44.7725 44.9367 45.0847 45.1617 45.3502 45.4374 45.4894 45.6392 45.7719 45.9526 45.9803 46.1204 46.2584 46.3150 46.5081 46.6018 46.8311 46.8944 46.9878 47.1818 47.2232 47.3655 47.4136 47.5590 47.6758 47.8800 48.0570 48.2014 48.2122 48.3545 48.5197 48.6139 48.7032 48.8109 48.9586 49.0441 49.3223 49.3681 49.4054 49.5773 49.8154 50.0569 50.1491 50.1801 50.4060 50.4954 50.8416 50.8788 50.9986 51.2092 51.3183 51.4469 51.6565 51.8112 52.0088 52.0295 52.2025 52.3451 52.4695 52.6070 52.9341 53.0474 53.1293 53.4604 53.5236 53.6866 53.8235 53.9703 54.1752 54.2751 54.5913 54.7628 54.8504 54.9662 55.0624 55.3543 55.5952 55.7175 55.9228 56.0078 56.0945 56.1887 56.3727 56.6106 56.8190 56.9930 57.0575 57.1878 57.2781 57.4535 57.5363 57.6588 57.7121 58.0631 58.2701 58.3440 58.4601 58.5826 58.8458 59.0175 59.2134 59.3399 59.5069 59.6550 59.8897 59.9353 60.2154 60.3949 60.5180 60.5724 60.7489 60.8150 60.9281 61.0330 61.2716 61.4743 61.7100 61.9307 62.1298 62.2813 62.4860 62.7882 62.8773 63.1078 63.1956 63.3579 63.6139 63.8086 63.9707 64.1598 64.2433 64.5019 64.6355 64.7456 65.0321 65.0877 65.2155 65.4823 65.5071 65.5995 65.9501 66.1063 66.2465 66.3541 66.4117 66.7872 66.8482 66.9384 67.1407 67.2071 67.3722 67.4587 67.6267 67.7394 67.8431 68.0231 68.1130 68.2422 68.3252 68.7269 68.9325 69.1531 69.4487 69.4917 69.6262 69.9389 70.1244 70.2543 70.6180 70.7214 71.0597 71.3178 71.4056 71.4658 71.7284 71.9271 72.2262 72.3083 72.8283 73.0897 73.1744 73.3294 73.4416 73.9431 74.1324 74.2180 74.3919 74.5509 74.6024 74.8331 74.9651 75.1498 75.3347 75.6186 75.6280 75.8512 75.9094 76.2072 76.2750 76.4161 76.6243 76.7372 76.8009 76.8615 77.0652 77.1204 77.3089 77.3836 77.5096 77.8079 77.8879 77.9225 78.0514 78.1784 78.3723 78.5004 78.5931 78.8180 78.9239 79.0065 79.1070 79.2810 79.3749 79.6009 79.6524 79.6797 79.7375 79.8072 79.9158 80.1173 80.1989 80.4558 80.4894 80.5088 80.6818 80.9095 81.0498 81.2307 81.3342 81.5727 81.6324 81.7992 81.8606 81.9758 82.1375 82.2918 82.3525 82.4925 82.6862 82.7479 82.8877 83.0811 83.1841 83.3520 83.3720 83.5878 83.7057 83.8469 83.9063 83.9589 84.0680 84.1727 84.3855 84.4223 84.4804 84.6085 84.7096 84.8228 84.9145 84.9279 85.0778 85.2441 85.4153 85.4922 85.5568 85.5685 85.6545 85.7925 85.8741 85.8915 85.9712 86.1327 86.2409 86.3958 86.4683 86.6532 86.6712 86.7958 86.9083 87.0139 87.2115 87.3593 87.5430 87.6749 87.7601 87.8486 87.8801 88.1524 88.2747 88.3106 88.5187 88.5420 88.6529 88.7338 88.8101 88.8996 88.9812 89.0960 89.2475 89.3321 89.4779 89.4882 89.5349 89.6925 89.7733 90.0017 90.0218 90.1365 90.1852 90.2868 90.4075 90.4694 90.5607 90.7142 90.9227 91.0668 91.0787 91.2216 91.4189 91.4594 91.6011 91.6233 91.7901 91.9680 92.0918 92.1967 92.3091 92.4173 92.4751 92.6847 92.7201 92.7867 92.8315 92.9828 93.0655 93.1689 93.1857 93.4220 93.5159 93.5619 93.8222 93.8675 94.0612 94.1013 94.1272 94.2343 94.2905 94.3995 94.5243 94.5840 94.6439 94.8155 94.8483 94.9780 95.0987 95.1931 95.3314 95.4780 95.5383 95.7611 95.9374 95.9752 96.0695 96.1878 96.2700 96.4069 96.4928 96.6235 96.6867 96.8786 96.9826 97.0798 97.1607 97.2544 97.3118 97.4721 97.5961 97.6921 97.7998 97.8819 98.0386 98.0971 98.2411 98.5001 98.5257 98.5967 98.8686 98.9464 99.1342 99.2086 99.3071 99.3437 99.4386 99.5297 99.6879 99.7716 100.0182 100.0621 100.1652 100.3158 100.4161 100.6149 100.6730 100.8088 100.9010 101.0968 101.1754 101.3960 101.4140 101.7359 101.9097 102.1747 102.2417 102.2881 102.4580 102.8248 103.2257 103.2886 103.4752 103.5574 103.7503 103.8623 103.9934 104.0496 104.2575 104.3362 104.4593 104.5298 104.6794 104.9110 105.0047 105.2964 105.4062 105.5151 105.5892 105.6851 105.7002 105.8446 105.9144 106.0557 106.2622 106.3548 106.6029 106.7645 106.8268 106.9693 107.1306 107.2963 107.4093 107.4244 107.4725 107.6668 107.6886 107.7898 107.8769 107.9564 108.1629 108.2473 108.3828 108.4732 108.6866 108.8058 108.9212 108.9678 109.1670 109.3136 109.5055 109.6037 109.7640 110.1610 110.2138 110.3134 110.3830 110.4324 110.4966 110.7206 110.9045 110.9607 111.1190 111.2436 111.4532 111.5261 111.5775 111.7399 111.8160 111.9696 112.0230 112.3027 112.5053 112.7482 112.9564 113.0242 113.2287 113.3611 113.6073 113.6257 113.8039 113.8849 114.0531 114.1402 114.3433 114.3698 114.5072 114.6440 114.7507 114.9661 115.0830 115.1815 115.2682 115.4730 115.5492 115.6700 115.8506 115.9207 116.1808 116.3361 116.4482 116.6787 116.7183 116.9466 117.0216 117.1042 117.1585 117.2791 117.5268 117.6528 117.8016 117.8727 117.9092 118.0701 118.2534 118.3246 118.4371 118.5004 118.5547 118.7960 118.9511 119.0550 119.1145 119.3530 119.3638 119.4712 119.6077 119.7189 119.9040 119.9168 120.0837 120.1935 120.3132 120.5047 120.5916 120.7926 120.9388 120.9958 121.0421 121.2063 121.4796 121.6269 121.7503 122.1661 122.2255 122.4032 122.5168 122.6013 122.7694 122.9784 123.1459 123.3947 123.7359 123.9192 124.0732 124.1649 124.3615 124.6742 125.0435 125.2757 125.5173 125.5572 125.9724 126.2678 126.3567 126.6325 126.7319 126.8670 127.0591 127.2412 127.3821 127.6779 127.9016 127.9947 128.2139 128.5358 129.0034 129.1969 129.3302 129.4536 129.5966 129.7644 129.8138 129.9814 130.1915 130.2812 130.4559 130.5456 130.6015 130.7581 130.8773 131.1982 131.3999 131.5043 131.7240 132.1451 132.3546 132.4194 132.5751 132.8088 132.9074 133.1290 133.1753 133.3815 133.6154 133.8068 133.9175 134.1944 134.5141 135.0027 135.3125 135.3616 135.7640 135.7876 135.8380 136.0012 136.1065 136.3302 136.5245 136.7901 136.9216 137.2967 137.5447 137.7344 137.9678 138.1708 138.5321 138.6645 139.0593 139.1408 139.3744 139.6814 139.9027 140.1511 140.1791 140.4378 140.9380 141.1765 141.5696 141.6915 141.9288 141.9830 142.3208 142.7683 143.2282 143.6455 143.8606 144.0714 144.2914 144.4295 144.4909 144.7372 144.8916 145.0875 145.2624 145.6750 145.7916 146.0784 146.2769 146.3845 146.5233 147.1089 147.1716 147.3906 147.5299 147.7766 147.9048 148.0303 148.2032 148.4925 148.5270 148.7733 148.9089 149.1201 149.4770 149.6082 149.7671 149.8343 150.0443 150.3547 150.6439 150.9600 151.2604 151.5172 151.8133 151.9245 152.4335 152.8109 152.9138 153.3757 153.3936 153.8162 154.5100 154.6849 154.7458 155.0089 155.2298 155.3683 155.6856 155.7466 156.2118 156.7265 156.9264 157.1131 157.1914 157.4024 157.6265 157.8222 158.2673 158.3361 158.6735 159.0484 159.4344 159.4903 159.7835 160.0307 160.2430 160.7288 161.2154 161.6653 161.9281 161.9998 163.0693 163.1252 163.8482 164.1630 164.9461 165.2915 166.9621 167.7050 168.4094 170.1965 170.8377 171.6894 172.2233 172.4743 172.5862 173.4664 174.1734 175.0290 176.8673 178.1837 178.9151 179.3562 180.6541 181.5072 182.2782 185.5632 186.2494 186.8317 187.3571 187.6215 188.3436 188.6800 188.7952 188.9476 189.1532 189.1742 189.3091 189.3452 189.7358 189.7680 189.8169 191.3281 192.5929 192.6776 192.7783 193.3106 194.3923 194.8304 195.2290 195.6772 196.0593 196.8730 199.1824 202.9018 203.3219 203.5378 204.6677 205.2458 206.2250 207.9373 208.1903 209.4164 210.1575 221.9045 224.1829 224.2874 228.1542 228.4496 228.9098 229.1515 230.0590 233.0847 233.5077 236.1593 238.8726 241.0408 241.4803 244.7156 246.3664 247.7717 248.5952 250.7307 252.5169 295.3119 298.9119 313.2259 618.0536 619.2153 623.5294 625.7139 629.4335 631.4260 631.7181 632.9379 634.0463 634.4530 634.7752 635.0528 635.3396 635.6310 636.2584 637.1235 637.5742 638.0427 638.7138 642.0547 644.1604 646.2158 648.6136 654.6150 657.7276 658.3213 715.2555 878.2439 906.9157 1202.5636 1212.6302 1217.6809 1558.5149 1563.1943 1564.9520 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 F F F O O O N 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 H H H H H H H H H H H H H H H H H H H H H H -0.097238 -0.186626 -0.187399 -0.184068 -0.268125 -0.394783 -0.316289 -0.200968 -0.079337 0.060444 0.096019 -0.291011 -0.298823 0.325727 0.153307 0.415602 0.019730 -0.183416 0.042377 -0.029880 -0.158327 -0.233324 -0.326771 -0.173947 0.578620 0.356040 -0.240663 -0.126722 -0.249390 0.326377 -0.222381 -0.275392 -0.145955 -0.115107 -0.184110 0.060188 0.122836 0.087638 0.091665 0.097179 0.096958 0.094286 0.094986 0.150760 0.143326 0.134291 0.128428 0.144053 0.123857 0.137087 0.159851 0.151379 0.156855 0.149006 0.158237 0.155964 0.156973 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 F F F O O O N 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 H H H H H H H H H H H H H H H H H H H H H H 17.0972 9.1866 9.1874 9.1841 8.2681 8.3948 8.3163 7.2010 7.0793 5.9396 5.9040 6.2910 6.2988 5.6743 5.8467 5.5844 5.9803 6.1834 5.9576 6.0299 6.1583 6.2333 6.3268 6.1739 5.4214 5.6440 6.2407 6.1267 6.2494 5.6736 6.2224 6.2754 6.1460 6.1151 6.1841 0.9398 0.8772 0.9124 0.9083 0.9028 0.9030 0.9057 0.9050 0.8492 0.8567 0.8657 0.8716 0.8559 0.8761 0.8629 0.8401 0.8486 0.8431 0.8510 0.8418 0.8440 0.8430 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 7.0000 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 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 -0.0972 -0.1866 -0.1874 -0.1841 -0.2681 -0.3948 -0.3163 -0.2010 -0.0793 0.0604 0.0960 -0.2910 -0.2988 0.3257 0.1533 0.4156 0.0197 -0.1834 0.0424 -0.0299 -0.1583 -0.2333 -0.3268 -0.1739 0.5786 0.3560 -0.2407 -0.1267 -0.2494 0.3264 -0.2224 -0.2754 -0.1460 -0.1151 -0.1841 0.0602 0.1228 0.0876 0.0917 0.0972 0.0970 0.0943 0.0950 0.1508 0.1433 0.1343 0.1284 0.1441 0.1239 0.1371 0.1599 0.1514 0.1569 0.1490 0.1582 0.1560 0.1570 1.2348 1.1110 1.1125 1.0927 2.1461 2.1032 2.0501 3.1904 3.1069 3.8176 3.8594 3.9372 3.9564 4.1101 3.8663 3.9118 3.8561 3.8398 3.5887 3.5547 3.9743 4.0702 4.0561 3.9394 4.3878 3.5545 4.0486 3.9487 3.9225 3.6524 3.9216 3.9635 3.8934 3.9029 3.9146 1.0254 1.0062 1.0015 1.0186 1.0048 1.0043 1.0030 1.0080 1.0485 0.9955 1.0230 1.0229 1.0108 1.0277 1.0193 0.9901 1.0097 0.9976 1.0074 0.9904 0.9911 0.9904 1.2348 1.1110 1.1125 1.0927 2.1461 2.1032 2.0501 3.1904 3.1069 3.8176 3.8594 3.9372 3.9564 4.1101 3.8663 3.9118 3.8561 3.8398 3.5887 3.5547 3.9743 4.0702 4.0561 3.9394 4.3878 3.5545 4.0486 3.9487 3.9225 3.6524 3.9216 3.9635 3.8934 3.9029 3.9146 1.0254 1.0062 1.0015 1.0186 1.0048 1.0043 1.0030 1.0080 1.0485 0.9955 1.0230 1.0229 1.0108 1.0277 1.0193 0.9901 1.0097 0.9976 1.0074 0.9904 0.9911 0.9904 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 1.0611 1.1350 1.1090 1.0988 1.1344 0.8860 1.9486 0.1190 0.9094 0.9664 0.9138 1.2241 0.9632 3.0494 0.9527 0.9411 0.9361 0.9876 0.9090 1.0037 0.9849 0.9930 0.9988 0.9906 0.9946 0.9825 1.2485 1.2428 0.9642 0.9331 0.9517 1.4473 1.4919 0.9926 1.3646 1.3050 1.3087 1.3414 1.0178 0.9848 0.9967 1.3859 1.0161 1.4557 0.9833 1.2896 1.4356 0.9804 0.9872 1.3474 1.3507 1.4194 0.9788 1.4376 0.9817 1.4178 0.9769 1.4069 0.9807 0.9838 0 16 1 24 2 24 3 24 4 13 4 15 5 13 5 15 6 25 6 29 7 10 7 14 7 43 8 26 9 10 9 11 9 12 9 35 10 13 10 36 11 37 11 38 11 39 12 40 12 41 12 42 14 16 14 17 15 18 15 26 15 44 16 20 17 21 17 45 18 22 18 23 19 20 19 21 19 24 20 46 21 47 22 25 22 48 23 27 23 49 25 28 27 28 27 50 28 51 29 30 29 31 30 32 30 52 31 33 31 53 32 34 32 54 33 34 33 55 34 56 -0.039494816 -2099.170262183980 30.01802 -29.90679 0.11123 -3.90424 4.71947 0.81523 -0.82789 -0.40841 -1.23630 1.48506 3.77473