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 Cl F F O O O N 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 H H H H H H H H H H H H H H H H H H H H 1 2 2 3 3 3 4 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 463.73560639999965 AuxInfo=1/0/N:34,32,33,22,23,11,12,15,16,17,18,25,26,20,21,10,14,19,24,30,31,28,13,29,27,1,2,3,8,9,7,6,5,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,31.2,32.1,33.1/rA:54nClFFOO1O1N2NNCCCC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s10s11;s7s10;s13;s14;s14;s15;s16;s1s17s18;s4;s20;s21;s21;s8;s22s24;s23s24;s5s8s9;;s6s9s28;s2s28;s3s28;s30;s31;s32s33;s10;s11;s11;s12;s12;s15;s16;s17;s18;s20;s20;s22;s23;s25;s26;s8;s9;s32;s33;s34;/rC:-6.8465,-1.6002,4.1915;6.8181,2.4663,.4244;6.1857,-2.0608,-.5059;-4.0814,1.1501,-1.0451;2.5132,1.6767,1.87;4.5412,.2295,-1.4423;-3.9096,.0149,-1.7793;2.2222,1.1034,-.3305;4.2851,.8943,.7234;-4.368,-2.2755,-2.0532;-5.3312,-2.4203,-3.2088;-3.8684,-2.2725,-3.4605;-4.3897,-1.0327,-1.241;-4.9959,-1.1266,.1065;-6.173,-1.8507,.2767;-4.3938,-.5613,1.2301;-6.7538,-1.9947,1.526;-4.9551,-.713,2.4855;-6.1382,-1.4221,2.6258;-3.2429,2.1711,-1.5558;-1.7988,1.9324,-1.2287;-.9461,1.3215,-2.1397;-1.2884,2.2582,.0214;.874,1.3963,-.5567;.3705,1.0601,-1.8137;.0274,2.0012,.371;2.9221,1.2652,.8117;6.4505,.2097,-.0489;5.0025,.4456,-.344;7.3173,1.2356,.296;6.9979,-1.0578,-.1915;8.667,1.0313,.4994;8.3391,-1.3109,.0115;9.1672,-.2531,.3544;-4.19,-3.1745,-1.4735;-5.9681,-1.5732,-3.4293;-5.7953,-3.3854,-3.3668;-3.315,-3.1424,-3.7882;-3.512,-1.3348,-3.8616;-6.653,-2.3044,-.5808;-3.4668,-.014,1.1341;-7.6751,-2.5482,1.6421;-4.4749,-.281,3.3525;-3.3863,2.2681,-2.6365;-3.602,3.0869,-1.0833;-1.3177,1.038,-3.1163;-1.9319,2.7339,.7527;1.0159,.5841,-2.543;.384,2.2741,1.3502;2.7398,.7252,-1.1166;4.7654,1.0148,1.6025;9.3077,1.8619,.7598;8.7219,-2.3157,-.0981;10.2214,-.4335,.5122; 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 1888 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 250 Dim 1345 ENuc 3310.1050686242 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 6.157e-06 Time for diagonalization 0.860 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.789 sec Total time needed 1.666 sec 17 9 9 8 8 8 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 463.73560639999965 AuxInfo=1/0/N:34,32,33,22,23,11,12,15,16,17,18,25,26,20,21,10,14,19,24,30,31,28,13,29,27,1,2,3,8,9,7,6,5,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,31.2,32.1,33.1/rA:54nClFFOO1O1N2NNCCCC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s10s11;s7s10;s13;s14;s14;s15;s16;s1s17s18;s4;s20;s21;s21;s8;s22s24;s23s24;s5s8s9;;s6s9s28;s2s28;s3s28;s30;s31;s32s33;s10;s11;s11;s12;s12;s15;s16;s17;s18;s20;s20;s22;s23;s25;s26;s8;s9;s32;s33;s34;/rC:-6.8465,-1.6002,4.1915;6.8181,2.4663,.4244;6.1857,-2.0608,-.5059;-4.0814,1.1501,-1.0451;2.5132,1.6767,1.87;4.5412,.2295,-1.4423;-3.9096,.0149,-1.7793;2.2222,1.1034,-.3305;4.2851,.8943,.7234;-4.368,-2.2755,-2.0532;-5.3312,-2.4203,-3.2088;-3.8684,-2.2725,-3.4605;-4.3897,-1.0327,-1.241;-4.9959,-1.1266,.1065;-6.173,-1.8507,.2767;-4.3938,-.5613,1.2301;-6.7538,-1.9947,1.526;-4.9551,-.713,2.4855;-6.1382,-1.4221,2.6258;-3.2429,2.1711,-1.5558;-1.7988,1.9324,-1.2287;-.9461,1.3215,-2.1397;-1.2884,2.2582,.0214;.874,1.3963,-.5567;.3705,1.0601,-1.8137;.0274,2.0012,.371;2.9221,1.2652,.8117;6.4505,.2097,-.0489;5.0025,.4456,-.344;7.3173,1.2356,.296;6.9979,-1.0578,-.1915;8.667,1.0313,.4994;8.3391,-1.3109,.0115;9.1672,-.2531,.3544;-4.19,-3.1745,-1.4735;-5.9681,-1.5732,-3.4293;-5.7953,-3.3854,-3.3668;-3.315,-3.1424,-3.7882;-3.512,-1.3348,-3.8616;-6.653,-2.3044,-.5808;-3.4668,-.014,1.1341;-7.6751,-2.5482,1.6421;-4.4749,-.281,3.3525;-3.3863,2.2681,-2.6365;-3.602,3.0869,-1.0833;-1.3177,1.038,-3.1163;-1.9319,2.7339,.7527;1.0159,.5841,-2.543;.384,2.2741,1.3502;2.7398,.7252,-1.1166;4.7654,1.0148,1.6025;9.3077,1.8619,.7598;8.7219,-2.3157,-.0981;10.2214,-.4335,.5122; 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 4 463.73560639999965 AuxInfo=1/0/N:34,32,33,22,23,11,12,15,16,17,18,25,26,20,21,10,14,19,24,30,31,28,13,29,27,1,2,3,8,9,7,6,5,4/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21)(27,28)/CRV:1.3,2.3,3.3,4.3,5.3,8.3,9.3,10.3,11.3,12.3,13.3,15.3,17.3,18.3,19.3,20.3,21.3,22.3,23.3,24.3,25.3,31.2,32.1,33.1/rA:54nClFFOO1O1N2NNCCCC3C3C3C3C3C3C3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHH/rB:;;;;;s4;;;;s10;s10s11;s7s10;s13;s14;s14;s15;s16;s1s17s18;s4;s20;s21;s21;s8;s22s24;s23s24;s5s8s9;;s6s9s28;s2s28;s3s28;s30;s31;s32s33;s10;s11;s11;s12;s12;s15;s16;s17;s18;s20;s20;s22;s23;s25;s26;s8;s9;s32;s33;s34;/rC:-6.8465,-1.6002,4.1915;6.8181,2.4663,.4244;6.1857,-2.0608,-.5059;-4.0814,1.1501,-1.0451;2.5132,1.6767,1.87;4.5412,.2295,-1.4423;-3.9096,.0149,-1.7793;2.2222,1.1034,-.3305;4.2851,.8943,.7234;-4.368,-2.2755,-2.0532;-5.3312,-2.4203,-3.2088;-3.8684,-2.2725,-3.4605;-4.3897,-1.0327,-1.241;-4.9959,-1.1266,.1065;-6.173,-1.8507,.2767;-4.3938,-.5613,1.2301;-6.7538,-1.9947,1.526;-4.9551,-.713,2.4855;-6.1382,-1.4221,2.6258;-3.2429,2.1711,-1.5558;-1.7988,1.9324,-1.2287;-.9461,1.3215,-2.1397;-1.2884,2.2582,.0214;.874,1.3963,-.5567;.3705,1.0601,-1.8137;.0274,2.0012,.371;2.9221,1.2652,.8117;6.4505,.2097,-.0489;5.0025,.4456,-.344;7.3173,1.2356,.296;6.9979,-1.0578,-.1915;8.667,1.0313,.4994;8.3391,-1.3109,.0115;9.1672,-.2531,.3544;-4.19,-3.1745,-1.4735;-5.9681,-1.5732,-3.4293;-5.7953,-3.3854,-3.3668;-3.315,-3.1424,-3.7882;-3.512,-1.3348,-3.8616;-6.653,-2.3044,-.5808;-3.4668,-.014,1.1341;-7.6751,-2.5482,1.6421;-4.4749,-.281,3.3525;-3.3863,2.2681,-2.6365;-3.602,3.0869,-1.0833;-1.3177,1.038,-3.1163;-1.9319,2.7339,.7527;1.0159,.5841,-2.543;.384,2.2741,1.3502;2.7398,.7252,-1.1166;4.7654,1.0148,1.6025;9.3077,1.8619,.7598;8.7219,-2.3157,-.0981;10.2214,-.4335,.5122; -2014.63105064 3310.10506862 -5324.73611926 -9339.17828186 4014.44216260 -4022.36651174 2007.73546110 2.00343451 124.999940700589 124.999940700589 249.999881401178 -167.138899205361 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.1352 -675.6211 -675.4805 -524.3851 -523.5988 -522.7984 -394.2143 -393.6254 -393.5570 -283.8208 -283.8161 -283.1445 -283.0995 -281.4766 -281.1703 -281.0772 -280.9683 -280.9591 -280.8466 -280.6420 -280.6166 -280.2342 -280.0700 -280.0639 -280.0432 -280.0194 -280.0031 -279.8294 -279.7988 -279.7776 -279.7700 -279.7390 -279.6457 -279.6252 -260.4077 -199.2422 -199.0079 -198.9994 -37.5850 -37.4845 -33.1719 -33.0484 -32.3232 -29.4273 -29.0149 -27.8865 -27.8782 -27.5245 -26.6643 -26.3157 -25.9533 -25.1966 -24.5347 -24.1325 -23.9056 -23.6482 -23.4438 -22.3796 -21.7802 -21.0265 -20.8857 -20.5525 -20.2777 -19.9675 -19.6973 -19.4673 -19.3096 -19.1526 -18.7029 -18.4437 -18.1430 -17.9701 -17.7043 -17.5357 -17.1871 -16.9676 -16.7394 -16.6180 -16.3730 -16.3338 -16.0955 -16.0681 -16.0069 -15.8460 -15.6895 -15.5944 -15.3089 -15.2794 -15.0950 -14.7623 -14.7467 -14.5285 -14.4907 -14.4504 -14.1660 -14.1018 -13.8448 -13.7428 -13.6662 -13.4209 -13.3559 -13.2193 -13.1205 -12.8297 -12.6822 -12.6542 -12.3915 -12.2928 -11.9174 -11.7949 -11.4140 -11.1643 -11.1212 -11.0623 -10.8598 -10.8039 -10.4281 -10.1816 -9.9823 -9.8957 -9.5946 -9.4125 -9.3712 -8.5142 -8.3801 0.3174 0.8538 1.1445 1.2298 1.4896 1.6987 2.0709 2.8084 2.8414 3.0574 3.3208 3.4768 3.5254 3.8731 3.9407 4.0241 4.0936 4.3816 4.4246 4.5321 4.5471 4.6352 4.7659 4.8919 4.9850 5.0522 5.1909 5.2584 5.3012 5.4666 5.6181 5.7390 5.8371 5.8846 5.9897 6.0566 6.2422 6.3083 6.4355 6.4530 6.6480 6.6729 6.7175 6.8837 6.9432 6.9949 7.2092 7.3184 7.4152 7.7067 7.7277 7.7370 7.8259 7.9992 8.0319 8.0761 8.1598 8.2111 8.3483 8.4304 8.4494 8.4911 8.6399 8.7077 8.7567 8.8010 8.9855 9.0248 9.1530 9.2085 9.3683 9.4365 9.4886 9.7499 9.8360 9.8626 9.9561 9.9957 10.0867 10.1712 10.2507 10.3188 10.4915 10.5798 10.6541 10.7902 10.8320 10.9938 11.0281 11.1240 11.1346 11.1946 11.2950 11.3164 11.3862 11.5435 11.5716 11.7092 11.7594 11.8309 11.8773 11.9442 12.0497 12.1585 12.2405 12.3057 12.3794 12.4775 12.5779 12.6158 12.6568 12.7493 12.9245 13.0225 13.0630 13.0984 13.1631 13.2060 13.2559 13.3524 13.4653 13.5733 13.6415 13.6980 13.7201 13.7882 13.8897 13.9580 13.9886 14.0976 14.1775 14.2663 14.3727 14.3915 14.4533 14.5180 14.7089 14.7832 14.9132 14.9598 15.0966 15.1287 15.2329 15.2800 15.3182 15.4527 15.5598 15.6491 15.7251 15.7973 15.7992 16.0490 16.1313 16.2689 16.3226 16.4598 16.6031 16.8081 16.8792 16.9080 17.0723 17.1874 17.3011 17.3584 17.3986 17.4751 17.5538 17.6423 17.7731 17.8235 18.0325 18.0709 18.1495 18.3276 18.4444 18.5138 18.5902 18.6573 18.8225 19.0680 19.1883 19.2895 19.4086 19.4825 19.6419 19.6687 19.7709 19.8754 19.9344 20.0339 20.1690 20.3001 20.3769 20.5306 20.5657 20.7370 20.8178 20.9267 21.0523 21.0879 21.2692 21.3373 21.4359 21.5962 21.6670 21.7837 21.9196 21.9317 22.0864 22.2229 22.3307 22.3906 22.5020 22.5380 22.7361 22.8121 22.9286 23.1624 23.2524 23.2592 23.3471 23.4532 23.6114 23.6671 23.7737 23.9080 24.0691 24.2336 24.2890 24.4270 24.5904 24.6680 24.6906 24.8894 24.9976 25.1190 25.2246 25.3854 25.4665 25.5255 25.6875 25.8190 25.9109 25.9781 26.0616 26.1700 26.2354 26.5916 26.6181 26.7928 26.8166 26.9607 27.1057 27.1716 27.2484 27.4558 27.5069 27.6151 27.7251 27.8350 27.8870 28.1222 28.2223 28.2619 28.3984 28.5219 28.6744 28.8195 28.8680 29.0353 29.1234 29.1837 29.2480 29.4175 29.5010 29.5715 29.6259 29.7394 29.7975 29.9616 30.1276 30.1917 30.3136 30.3942 30.4960 30.7441 30.8418 30.8548 30.9690 31.1159 31.2288 31.3946 31.5415 31.8071 31.9382 31.9669 32.1138 32.1892 32.3125 32.3426 32.5464 32.7720 32.8054 32.9935 33.2374 33.4596 33.5198 33.7127 33.8368 34.0229 34.0849 34.2486 34.4300 34.4424 34.5430 34.7020 34.7367 34.8750 34.9527 35.1320 35.1553 35.2148 35.4428 35.5396 35.6425 35.7437 35.8980 35.9951 36.1300 36.2348 36.4120 36.5723 36.6536 36.7522 36.7919 36.9617 37.0674 37.1777 37.3159 37.5295 37.6965 37.8119 37.8545 37.9830 38.1014 38.1540 38.2695 38.5017 38.5159 38.7241 38.8759 38.9215 39.0053 39.1747 39.3563 39.3650 39.4023 39.5524 39.6779 39.7061 39.8963 40.0820 40.1988 40.2663 40.3962 40.4228 40.4667 40.7269 40.8078 40.8805 41.1079 41.2332 41.3484 41.4699 41.5541 41.7473 41.7602 41.9351 41.9955 42.1501 42.2060 42.3550 42.5521 42.7343 42.8510 42.9344 43.1974 43.3215 43.4426 43.4860 43.5411 43.5804 43.7898 43.9443 44.0539 44.1380 44.2647 44.5063 44.5692 44.6019 44.7036 44.8601 44.8924 45.0757 45.3378 45.4645 45.6730 45.7562 45.8235 46.0210 46.1003 46.2856 46.3736 46.4712 46.5659 46.8719 46.9575 47.1059 47.1261 47.2325 47.5291 47.6021 47.7391 47.8550 48.1252 48.1962 48.3972 48.4531 48.6570 48.7405 48.8094 48.8852 48.9537 49.0037 49.2618 49.4995 49.5868 49.8118 49.8349 50.1908 50.3230 50.6332 50.8307 50.9038 51.0816 51.1486 51.2920 51.4617 51.5779 51.6257 51.8715 52.0972 52.2128 52.3735 52.4164 52.8524 52.9211 53.1536 53.4227 53.4946 53.5665 53.6763 54.1691 54.2674 54.3808 54.8127 55.0501 55.1473 55.2389 55.5852 55.6764 55.8252 56.1253 56.2973 56.4720 56.8272 56.9388 57.1947 57.2914 57.4302 57.5596 57.7033 57.7332 57.9695 58.0398 58.1353 58.2513 58.4757 58.6802 58.7796 58.9931 59.1729 59.3276 59.4101 59.6308 59.7066 59.8653 59.9934 60.1009 60.2282 60.3545 60.6718 61.0392 61.0587 61.2732 61.4623 61.5628 61.8748 62.1207 62.5288 62.5841 62.7592 62.9826 63.0814 63.2044 63.2608 63.4898 63.8052 63.8484 63.9461 64.0439 64.1406 64.3807 64.4497 64.5573 64.8254 64.8792 65.0609 65.4637 65.5885 65.7170 65.9559 66.0964 66.1557 66.2427 66.5017 66.6037 66.7793 66.9590 67.1647 67.1778 67.3028 67.5731 67.6923 67.8471 68.0064 68.1886 68.4149 68.4697 68.7950 69.0133 69.4582 69.8720 69.8890 70.1118 70.5088 70.8807 71.0628 71.2975 71.4138 71.5554 71.6374 71.9211 72.0869 72.4884 72.7713 73.1082 73.2550 73.6981 73.7899 74.0883 74.2760 74.4812 74.6364 74.8635 74.9839 75.1421 75.3334 75.4168 75.5775 75.6724 75.8443 76.0338 76.2860 76.6271 76.8552 76.9675 77.0582 77.2467 77.3155 77.3578 77.5034 77.6310 77.9194 77.9680 78.1241 78.2683 78.4573 78.6369 78.7946 78.8522 78.9547 79.0283 79.1117 79.1603 79.2426 79.4463 79.4715 79.5582 79.6814 79.7513 79.8924 79.9515 79.9769 80.1812 80.2629 80.3403 80.5205 80.5686 80.6254 80.7727 80.8646 80.9777 81.1383 81.2508 81.4945 81.6272 81.7818 82.0541 82.1362 82.3004 82.3531 82.3846 82.4824 82.5522 82.7151 82.7655 82.8427 82.8862 83.0563 83.1157 83.1877 83.3473 83.4270 83.5519 83.7340 83.7626 83.8956 84.0910 84.1381 84.2442 84.4655 84.4847 84.6245 84.7719 84.8970 84.9730 85.1146 85.1982 85.2441 85.3242 85.4563 85.5327 85.6843 85.7343 85.8796 85.9954 86.0820 86.2255 86.3014 86.4798 86.5737 86.7415 86.8487 86.9885 87.0625 87.1623 87.2231 87.3481 87.4212 87.4859 87.6209 87.7606 87.8326 88.0455 88.1595 88.2941 88.3088 88.3815 88.5458 88.5792 88.7994 88.8733 89.0322 89.0711 89.1541 89.4579 89.5811 89.6164 89.7896 89.8996 89.9985 90.0560 90.1590 90.3545 90.4152 90.4579 90.5137 90.6498 90.7049 90.7903 90.9745 91.2051 91.2711 91.3767 91.7114 91.8047 91.9000 92.0199 92.1521 92.2566 92.3549 92.5174 92.6215 92.6986 92.7565 92.8697 92.8937 93.0228 93.1036 93.3069 93.3137 93.5374 93.7086 93.7883 93.9334 94.0736 94.1369 94.1403 94.1831 94.4731 94.5274 94.6004 94.7663 94.8233 94.9472 94.9880 95.0151 95.3122 95.4057 95.4806 95.6834 95.7357 95.8315 95.9263 96.0771 96.3277 96.4082 96.5739 96.6592 96.7818 96.9051 96.9714 97.2286 97.4259 97.5435 97.6868 97.7188 97.8200 97.8781 98.0015 98.2417 98.3163 98.5310 98.6052 98.8352 98.9156 99.0205 99.1067 99.1414 99.3509 99.4736 99.5866 99.6638 99.9397 99.9774 100.0506 100.2166 100.3214 100.4600 100.4972 100.7391 101.0245 101.1899 101.3020 101.3646 101.4681 101.5091 101.6026 101.9696 102.1814 102.3007 102.4286 102.5391 103.0292 103.1036 103.2790 103.4334 103.4831 103.6207 103.7774 103.8688 103.9307 104.3044 104.4166 104.6244 104.7185 104.8159 104.8601 104.9840 105.1599 105.2447 105.3676 105.3992 105.5473 105.7051 105.7735 105.8143 105.9118 105.9735 106.0294 106.2112 106.3021 106.5519 106.7024 106.7894 106.9476 107.1382 107.2487 107.4914 107.6638 107.8252 107.8760 107.9915 108.0971 108.2102 108.4199 108.4767 108.7301 108.8935 109.0302 109.4294 109.5722 109.6920 109.7135 109.9628 110.0645 110.0800 110.3217 110.4030 110.5462 110.6538 110.7246 110.7842 111.1137 111.1720 111.2623 111.4528 111.6912 111.7783 111.8678 112.1670 112.3241 112.3756 112.5587 112.7626 112.8812 113.0366 113.2864 113.5413 113.6054 113.7284 113.8073 114.1817 114.2230 114.4609 114.5544 114.6063 114.7871 114.8608 115.1133 115.1637 115.6211 115.8363 115.8774 115.9396 116.1086 116.2664 116.3620 116.5752 116.6007 116.7940 116.8606 116.9336 117.0878 117.2006 117.2564 117.4074 117.5811 117.7259 117.8886 117.9989 118.1124 118.2519 118.3416 118.4183 118.4320 118.5513 118.7043 118.8551 118.9253 119.0550 119.1210 119.1903 119.3673 119.4136 119.5652 119.7487 119.8937 120.1123 120.3571 120.4552 120.6307 120.6814 121.1057 121.2036 121.4273 121.4820 121.7432 121.8825 122.1359 122.3461 122.5079 122.8049 122.9033 123.1021 123.1338 123.4164 123.8476 123.9314 124.0769 124.3555 124.6074 125.2508 125.4047 125.5546 125.7619 125.8264 126.0939 126.4355 126.8506 126.9929 127.3832 127.5173 127.6874 127.8670 127.9215 128.4084 128.6719 128.7378 128.8697 129.0673 129.2835 129.3742 129.6511 129.8468 130.0681 130.1166 130.2179 130.3651 130.6445 130.7973 131.0355 131.1357 131.2637 131.3408 131.6873 131.8095 131.8829 131.9471 132.0676 132.2427 132.4407 132.5685 132.7653 132.8918 133.0196 133.2715 133.6036 133.7381 133.9600 134.2307 134.2899 134.3525 134.6300 135.0196 135.1784 135.2868 135.6448 135.9985 136.3086 136.7872 137.2017 137.4078 137.9149 138.0285 138.4183 138.5449 138.6790 139.0418 139.1555 139.4669 139.5196 139.5932 139.7905 139.9907 140.2175 140.4643 140.5949 140.6699 140.8891 141.1938 141.4891 141.7643 142.0087 142.6352 143.2003 143.6973 143.7975 143.9092 144.2490 144.3187 144.4382 144.4701 144.7089 144.9302 144.9927 145.0873 145.3508 145.4625 146.3145 146.5111 146.5967 146.8359 147.0281 147.0711 147.4048 147.7584 147.9859 148.2476 148.4443 148.5572 148.8104 149.1894 149.3045 149.4943 149.6828 149.9221 150.2207 150.3025 150.3798 150.5662 150.7510 150.9274 151.1058 151.2886 151.4623 152.0924 152.3255 152.4069 152.7578 152.9897 153.4163 153.4938 154.0683 154.2642 154.5101 155.0018 155.5150 155.8681 156.2482 156.3860 156.6730 157.0978 157.4370 157.6319 157.7355 157.8892 158.0660 158.5734 159.1574 159.4906 159.5923 160.3463 160.4773 160.7615 161.1265 161.8586 161.9604 162.1380 162.8577 163.6803 164.0061 164.2977 165.1220 165.7835 166.1142 166.8592 166.9793 169.2812 169.9363 170.3937 171.1611 171.4131 171.7284 173.4011 174.5890 175.7271 176.1371 176.7485 177.2417 177.6187 178.6061 178.6393 179.1012 181.6548 182.3458 184.3751 186.2699 187.4511 187.9818 188.0231 188.1442 188.3196 188.8803 188.9519 189.1033 189.4718 189.6123 192.0512 192.0958 192.5535 194.9070 195.3223 195.5364 196.7724 197.1207 197.6461 198.1119 199.0499 200.7359 203.3303 203.7136 204.9414 205.5058 209.9055 212.6516 216.1350 221.7957 223.1296 223.6500 227.4847 229.2858 229.8240 229.9921 234.9145 235.2364 240.5041 241.0872 247.0626 247.2476 247.9710 248.6107 295.0951 297.7067 312.8319 611.1600 615.8633 621.6022 626.2947 629.3303 630.7305 632.2866 632.3067 633.4700 634.2440 634.2709 635.2913 635.3217 636.3607 636.4391 637.5598 638.1642 639.2631 641.9451 643.2009 646.4155 647.9178 654.0237 655.5631 658.2163 713.3457 884.2791 899.0852 905.6767 1197.4440 1199.1148 1209.0831 1562.0713 1563.5689 -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 Cl F F O O O N 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 H H H H H H H H H H H H H H H H H H H H -0.079118 -0.187673 -0.178568 -0.209229 -0.404182 -0.374525 -0.145968 -0.190135 -0.176059 -0.099982 -0.162221 -0.126557 0.215885 0.039092 -0.201790 -0.138486 -0.145117 -0.152832 0.110883 0.067307 -0.056156 -0.082549 -0.163310 0.180836 -0.197070 -0.163077 0.389655 -0.154999 0.375649 0.278013 0.297489 -0.225982 -0.225940 -0.043513 0.099808 0.085872 0.079646 0.080052 0.076294 0.136249 0.128063 0.117811 0.117494 0.086009 0.093856 0.109453 0.117272 0.108176 0.149866 0.176422 0.167457 0.132116 0.130901 0.137413 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 Cl F F O O O N 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 H H H H H H H H H H H H H H H H H H H H 17.0791 9.1877 9.1786 8.2092 8.4042 8.3745 7.1460 7.1901 7.1761 6.1000 6.1622 6.1266 5.7841 5.9609 6.2018 6.1385 6.1451 6.1528 5.8891 5.9327 6.0562 6.0825 6.1633 5.8192 6.1971 6.1631 5.6103 6.1550 5.6244 5.7220 5.7025 6.2260 6.2259 6.0435 0.9002 0.9141 0.9204 0.9199 0.9237 0.8638 0.8719 0.8822 0.8825 0.9140 0.9061 0.8905 0.8827 0.8918 0.8501 0.8236 0.8325 0.8679 0.8691 0.8626 17.0000 9.0000 9.0000 8.0000 8.0000 8.0000 7.0000 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 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 -0.0791 -0.1877 -0.1786 -0.2092 -0.4042 -0.3745 -0.1460 -0.1901 -0.1761 -0.1000 -0.1622 -0.1266 0.2159 0.0391 -0.2018 -0.1385 -0.1451 -0.1528 0.1109 0.0673 -0.0562 -0.0825 -0.1633 0.1808 -0.1971 -0.1631 0.3897 -0.1550 0.3756 0.2780 0.2975 -0.2260 -0.2259 -0.0435 0.0998 0.0859 0.0796 0.0801 0.0763 0.1362 0.1281 0.1178 0.1175 0.0860 0.0939 0.1095 0.1173 0.1082 0.1499 0.1764 0.1675 0.1321 0.1309 0.1374 1.2275 1.1107 1.1311 1.9648 2.1078 2.1382 2.8996 3.2595 3.1940 3.8416 3.9295 3.9367 3.7523 3.6650 4.0212 4.0307 4.0408 4.0350 3.9073 3.9107 3.6930 3.9855 3.9816 3.8997 4.0293 4.0054 4.3196 3.5786 4.0934 3.9871 4.0029 3.9943 3.9957 3.8473 1.0055 1.0196 1.0191 1.0180 1.0430 0.9975 1.0099 1.0163 1.0154 1.0124 0.9970 1.0162 1.0104 1.0162 1.0316 1.0668 1.0276 1.0085 1.0089 0.9958 1.2275 1.1107 1.1311 1.9648 2.1078 2.1382 2.8996 3.2595 3.1940 3.8416 3.9295 3.9367 3.7523 3.6650 4.0212 4.0307 4.0408 4.0350 3.9073 3.9107 3.6930 3.9855 3.9816 3.8997 4.0293 4.0054 4.3196 3.5786 4.0934 3.9871 4.0029 3.9943 3.9957 3.8473 1.0055 1.0196 1.0191 1.0180 1.0430 0.9975 1.0099 1.0163 1.0154 1.0124 0.9970 1.0162 1.0104 1.0162 1.0316 1.0668 1.0276 1.0085 1.0089 0.9958 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 1.0003 1.0599 1.0791 0.8608 0.9607 1.9712 1.9486 1.8680 1.0220 1.2283 0.9332 1.0250 1.1809 0.9546 0.9172 0.9465 0.9483 1.0094 0.9572 1.0032 1.0091 1.0117 0.9983 0.8920 1.3722 1.3609 1.4722 0.9596 1.4844 0.9635 1.4047 0.9733 1.3859 0.9752 0.9184 1.0179 0.9975 1.3637 1.3789 1.5176 0.9796 1.4871 0.9877 1.3607 1.4208 0.9593 0.9389 0.8948 1.3385 1.3316 1.4772 1.4799 1.3981 0.9746 1.3936 0.9740 0.9648 0 18 1 29 2 30 3 6 3 19 4 26 5 28 6 12 7 23 7 26 7 49 8 26 8 28 8 50 9 10 9 11 9 12 9 34 10 11 10 35 10 36 11 37 11 38 12 13 13 14 13 15 14 16 14 39 15 17 15 40 16 18 16 41 17 18 17 42 19 20 19 43 19 44 20 21 20 22 21 24 21 45 22 25 22 46 23 24 23 25 24 47 25 48 27 28 27 29 27 30 29 31 30 32 31 33 31 51 32 33 32 52 33 53 -0.025464179 -2014.656514815386 -21.09965 23.18799 2.08834 -2.77222 2.22532 -0.54690 -21.04592 20.59668 -0.44924 2.20501 5.60469