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:6.3043,4.5845,-.6279;-4.981,2.3805,1.4003;-7.1545,-1.3348,-.372;3.8921,-2.9967,-.2691;-2.3355,.5219,-2.2571;-4.3224,-1.0341,1.0364;4.1835,-1.698,-.5248;-2.1283,-1.0215,-.5744;-4.0296,.3013,-.7897;5.2517,-1.8194,1.66;5.1263,-1.139,2.9906;4.1966,-2.251,2.6331;4.842,-1.1294,.4062;5.1942,.2831,.1661;6.3146,.8531,.7649;4.4205,1.0767,-.6821;6.6654,2.1711,.5213;4.7565,2.3945,-.9282;5.8816,2.9366,-.3249;2.9775,-3.4723,-1.2437;1.6257,-2.8358,-1.1124;.7484,-3.2262,-.1065;1.232,-1.8028,-1.9506;-.8675,-1.5779,-.8108;-.4783,-2.611,.0439;.0041,-1.1723,-1.8187;-2.749,-.0526,-1.28;-6.034,.5105,.4995;-4.7121,-.1632,.293;-6.1193,1.7648,1.0797;-7.2222,-.129,.1868;-7.3268,2.3833,1.3324;-8.4533,.4506,.417;-8.4913,1.7114,.9935;6.0859,-2.5049,1.5424;4.7251,-.1335,3.0107;5.8967,-1.321,3.7286;4.3186,-3.2122,3.1142;3.1691,-1.9989,2.4054;6.9328,.2614,1.4268;3.5385,.6559,-1.1454;7.5425,2.5979,.9873;4.1431,3.0012,-1.5798;3.3821,-3.316,-2.2482;2.9225,-4.5477,-1.0661;1.023,-4.025,.5721;1.9038,-1.472,-2.733;-1.1465,-2.9382,.8323;-.2627,-.3773,-2.4949;-2.6431,-1.3902,.2178;-4.4642,1.0217,-1.3468;-7.3513,3.3632,1.7877;-9.359,-.076,.1512;-9.4476,2.1789,1.1823; 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 3325.0865530077 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 6.187e-06 Time for diagonalization 0.407 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.384 sec Total time needed 0.801 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:6.3043,4.5845,-.6279;-4.981,2.3805,1.4003;-7.1545,-1.3348,-.372;3.8921,-2.9967,-.2691;-2.3355,.5219,-2.2571;-4.3224,-1.0341,1.0364;4.1835,-1.698,-.5248;-2.1283,-1.0215,-.5744;-4.0296,.3013,-.7897;5.2517,-1.8194,1.66;5.1263,-1.139,2.9906;4.1966,-2.251,2.6331;4.842,-1.1294,.4062;5.1942,.2831,.1661;6.3146,.8531,.7649;4.4205,1.0767,-.6821;6.6654,2.1711,.5213;4.7565,2.3945,-.9282;5.8816,2.9366,-.3249;2.9775,-3.4723,-1.2437;1.6257,-2.8358,-1.1124;.7484,-3.2262,-.1065;1.232,-1.8028,-1.9506;-.8675,-1.5779,-.8108;-.4783,-2.611,.0439;.0041,-1.1723,-1.8187;-2.749,-.0526,-1.28;-6.034,.5106,.4995;-4.7121,-.1632,.293;-6.1193,1.7648,1.0797;-7.2222,-.129,.1868;-7.3268,2.3833,1.3324;-8.4533,.4506,.417;-8.4913,1.7114,.9935;6.0859,-2.5049,1.5424;4.7251,-.1335,3.0107;5.8967,-1.321,3.7286;4.3186,-3.2122,3.1142;3.1691,-1.9989,2.4054;6.9328,.2614,1.4268;3.5385,.6559,-1.1454;7.5425,2.5979,.9873;4.1431,3.0012,-1.5798;3.3821,-3.316,-2.2482;2.9225,-4.5477,-1.0661;1.023,-4.025,.5721;1.9038,-1.472,-2.733;-1.1465,-2.9382,.8323;-.2627,-.3773,-2.4949;-2.6431,-1.3902,.2178;-4.4642,1.0217,-1.3468;-7.3513,3.3632,1.7877;-9.359,-.076,.1512;-9.4476,2.1789,1.1823; 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:6.3043,4.5845,-.6279;-4.981,2.3805,1.4003;-7.1545,-1.3348,-.372;3.8921,-2.9967,-.2691;-2.3355,.5219,-2.2571;-4.3224,-1.0341,1.0364;4.1835,-1.698,-.5248;-2.1283,-1.0215,-.5744;-4.0296,.3013,-.7897;5.2517,-1.8194,1.66;5.1263,-1.139,2.9906;4.1966,-2.251,2.6331;4.842,-1.1294,.4062;5.1942,.2831,.1661;6.3146,.8531,.7649;4.4205,1.0767,-.6821;6.6654,2.1711,.5213;4.7565,2.3945,-.9282;5.8816,2.9366,-.3249;2.9775,-3.4723,-1.2437;1.6257,-2.8358,-1.1124;.7484,-3.2262,-.1065;1.232,-1.8028,-1.9506;-.8675,-1.5779,-.8108;-.4783,-2.611,.0439;.0041,-1.1723,-1.8187;-2.749,-.0526,-1.28;-6.034,.5105,.4995;-4.7121,-.1632,.293;-6.1193,1.7648,1.0797;-7.2222,-.129,.1868;-7.3268,2.3833,1.3324;-8.4533,.4506,.417;-8.4913,1.7114,.9935;6.0859,-2.5049,1.5424;4.7251,-.1335,3.0107;5.8967,-1.321,3.7286;4.3186,-3.2122,3.1142;3.1691,-1.9989,2.4054;6.9328,.2614,1.4268;3.5385,.6559,-1.1454;7.5425,2.5979,.9873;4.1431,3.0012,-1.5798;3.3821,-3.316,-2.2482;2.9225,-4.5477,-1.0661;1.023,-4.025,.5721;1.9038,-1.472,-2.733;-1.1465,-2.9382,.8323;-.2627,-.3773,-2.4949;-2.6431,-1.3902,.2178;-4.4642,1.0217,-1.3468;-7.3513,3.3632,1.7877;-9.359,-.076,.1512;-9.4476,2.1789,1.1823; -2014.63134017 3325.08655301 -5339.71789317 -9369.12764495 4029.40975178 -4022.37495246 2007.74361229 2.00343058 125.000149541985 125.000149541985 250.000299083971 -167.140665825871 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 -2765.0809 -675.5787 -675.5225 -524.5158 -523.6507 -522.8344 -394.2538 -393.6638 -393.6173 -283.8492 -283.8477 -283.1067 -283.0926 -281.3968 -281.2028 -281.0507 -281.0221 -280.9364 -280.7962 -280.6320 -280.6206 -280.1514 -280.0865 -279.9909 -279.9727 -279.9462 -279.8768 -279.8620 -279.8441 -279.7832 -279.7694 -279.7528 -279.7277 -279.6327 -260.3533 -199.1875 -198.9535 -198.9453 -37.5484 -37.5014 -33.3244 -33.0867 -32.3622 -29.4654 -29.0521 -27.8820 -27.8609 -27.4318 -26.7023 -26.4489 -25.8922 -25.1937 -24.5306 -24.1958 -23.8280 -23.6804 -23.3346 -22.3391 -21.6855 -21.0046 -20.8873 -20.6126 -20.3564 -19.8930 -19.6945 -19.4776 -19.3202 -19.1492 -18.7795 -18.4415 -18.1447 -18.0945 -17.7246 -17.2983 -17.0373 -16.9665 -16.9605 -16.7393 -16.3568 -16.3199 -16.2602 -16.1010 -16.0262 -15.7661 -15.5856 -15.4509 -15.3451 -15.2827 -15.1141 -14.7769 -14.7153 -14.5347 -14.3969 -14.3553 -14.1775 -14.1107 -14.0724 -13.7030 -13.6343 -13.4816 -13.4297 -13.3504 -13.2387 -12.9073 -12.6046 -12.5850 -12.3711 -12.1876 -11.9401 -11.7491 -11.4408 -11.1892 -11.1126 -11.0303 -10.8517 -10.6572 -10.4592 -10.1577 -9.8951 -9.8885 -9.8441 -9.5349 -9.3967 -8.4875 -8.2966 0.5624 0.7606 1.0209 1.1809 1.5508 1.6637 1.9308 2.7568 2.8666 3.1205 3.2949 3.4230 3.6750 3.8481 3.8986 4.0249 4.0840 4.3220 4.3867 4.4936 4.5130 4.7030 4.7498 4.8978 4.9602 5.0396 5.1669 5.2204 5.3208 5.3518 5.5320 5.6741 5.8589 5.8994 5.9959 6.1001 6.2082 6.3151 6.3907 6.4921 6.5208 6.7080 6.8308 6.9405 6.9481 7.0265 7.1845 7.2683 7.4063 7.5764 7.6414 7.7258 7.8134 7.8798 8.0913 8.1358 8.1671 8.2326 8.3472 8.4271 8.4727 8.5516 8.6827 8.7390 8.8811 8.9460 9.0488 9.1411 9.2059 9.3153 9.3724 9.5218 9.5417 9.7400 9.8491 9.9022 9.9746 10.0260 10.1168 10.1745 10.2350 10.3285 10.4277 10.5492 10.5600 10.8432 10.9393 10.9639 11.0287 11.0863 11.1817 11.2692 11.3287 11.3826 11.4468 11.5211 11.5991 11.7019 11.7302 11.8068 11.8418 11.9504 11.9637 12.0525 12.0937 12.2148 12.3702 12.4140 12.5024 12.5761 12.6589 12.7261 12.8465 12.9173 12.9787 13.0309 13.0558 13.1356 13.1592 13.3397 13.4388 13.5487 13.5920 13.6795 13.7576 13.8394 13.8677 13.9237 14.0291 14.0846 14.1796 14.1980 14.3308 14.4879 14.5807 14.6167 14.7603 14.8524 14.9641 15.0243 15.1755 15.2130 15.2674 15.3146 15.3711 15.4695 15.5468 15.5955 15.6672 15.7078 15.9413 16.0741 16.1853 16.2870 16.3169 16.3898 16.5687 16.6632 16.7237 16.7954 16.9664 17.1001 17.1380 17.2144 17.2611 17.4130 17.5598 17.6868 17.7662 17.8057 18.0192 18.0246 18.2728 18.3224 18.4204 18.4670 18.6497 18.7400 18.8191 19.1749 19.2103 19.3629 19.3802 19.4917 19.5336 19.6665 19.7791 19.8586 19.9736 20.0544 20.2325 20.2913 20.3862 20.6587 20.7152 20.7848 20.9123 20.9733 20.9996 21.0915 21.1800 21.2356 21.3743 21.5143 21.6123 21.8083 21.9172 21.9591 22.0798 22.3223 22.3878 22.4346 22.5572 22.6545 22.7739 22.8414 22.9910 23.0134 23.0676 23.2394 23.4527 23.5702 23.6625 23.6776 23.7646 23.9095 24.1337 24.2303 24.2392 24.4289 24.5260 24.6017 24.7150 24.7549 24.9245 25.0784 25.2328 25.3422 25.3960 25.6276 25.7089 25.8724 25.9837 26.1536 26.3090 26.3580 26.4504 26.4962 26.6623 26.7680 26.8629 27.0261 27.0492 27.2728 27.3003 27.4971 27.6137 27.6728 27.7925 27.9100 28.1392 28.2013 28.2303 28.2892 28.4430 28.5531 28.7176 28.7623 28.9197 28.9284 29.0899 29.1752 29.2828 29.3175 29.4102 29.6018 29.7313 29.7935 29.8661 29.9619 30.0984 30.2625 30.3411 30.4627 30.4726 30.5685 30.7790 30.8613 30.9395 31.0019 31.1006 31.3275 31.4248 31.6758 31.8623 31.8932 32.0287 32.2476 32.3304 32.4416 32.5815 32.7942 33.0054 33.0613 33.1414 33.2802 33.4150 33.6049 33.7048 33.8228 33.9511 34.0780 34.2492 34.3695 34.5696 34.7239 34.8283 34.8981 35.0156 35.2506 35.2980 35.4155 35.4878 35.5062 35.6225 35.8368 35.8641 36.0225 36.1117 36.3353 36.5577 36.6424 36.7691 36.8299 37.0491 37.0844 37.2949 37.3647 37.4139 37.5329 37.6173 37.8168 37.9265 37.9689 38.0360 38.2379 38.3045 38.5030 38.5432 38.7927 38.8620 38.9083 39.0256 39.0970 39.2046 39.3634 39.4085 39.6089 39.6780 39.7411 39.8636 40.0389 40.2929 40.3009 40.4730 40.5224 40.7847 40.8369 40.9324 41.0056 41.1751 41.2683 41.3821 41.4859 41.6020 41.6659 41.8925 41.9538 42.1064 42.1596 42.3819 42.3897 42.5800 42.6033 42.8447 42.9979 43.1295 43.1893 43.3275 43.3826 43.5349 43.5973 43.7869 43.8399 43.9435 44.0762 44.3452 44.4336 44.5216 44.6680 44.7197 44.8931 45.0275 45.1704 45.4469 45.5100 45.7146 45.8322 45.9424 46.0907 46.2453 46.3307 46.4586 46.5260 46.5636 46.6792 46.8749 46.9790 47.2266 47.2911 47.4087 47.8976 47.9970 48.0794 48.1444 48.2315 48.3393 48.4981 48.5177 48.7562 48.8736 48.9037 48.9526 49.0832 49.2983 49.3491 49.4908 49.7931 50.0004 50.1862 50.4145 50.6585 50.7304 50.8570 50.9464 51.0556 51.1135 51.3084 51.4143 51.6673 51.7607 52.0351 52.0589 52.1264 52.5773 52.7247 52.9697 53.1258 53.3472 53.5150 53.8688 53.9449 54.1561 54.2760 54.7582 54.8358 54.9206 55.2351 55.4558 55.6013 55.8144 55.8645 55.9461 56.0087 56.2836 56.6940 56.8301 56.9506 57.0263 57.1229 57.3356 57.5164 57.8394 57.9588 58.0609 58.2280 58.2382 58.4139 58.4639 58.7056 59.0127 59.1293 59.2816 59.4575 59.6310 59.7070 59.8593 60.1334 60.1868 60.2820 60.4629 60.7380 61.0507 61.1790 61.4710 61.5856 61.8183 62.0255 62.2283 62.5253 62.7227 63.0817 63.1237 63.3267 63.3566 63.3853 63.5780 63.6704 63.9078 64.0204 64.1613 64.3092 64.4954 64.6756 64.7771 64.9627 65.2276 65.3115 65.4001 65.6959 65.9077 65.9724 65.9987 66.1292 66.2552 66.3614 66.4947 66.7044 66.8054 67.1524 67.2347 67.4595 67.4821 67.7638 68.0813 68.1234 68.2801 68.4803 68.8605 68.9933 69.1039 69.2571 69.7771 69.8833 70.2414 70.4132 70.6307 70.8562 71.2195 71.3921 71.5307 71.8309 71.8861 72.2049 72.5979 72.8641 73.2607 73.4327 73.6755 73.7990 74.0382 74.4727 74.5979 74.7602 74.8103 75.1439 75.1917 75.5098 75.6225 75.6696 75.8255 75.9780 76.2502 76.4673 76.5407 76.7072 76.7863 77.1136 77.2794 77.3382 77.4086 77.5604 77.7231 77.8093 77.9661 78.1524 78.2942 78.3552 78.4396 78.5992 78.6828 78.8912 78.9737 79.0411 79.1037 79.2110 79.3625 79.4964 79.6012 79.6903 79.7473 79.7884 79.8910 80.0219 80.0942 80.3744 80.5282 80.6309 80.7181 80.7915 80.9337 81.0732 81.1054 81.1610 81.2440 81.5363 81.5561 81.8396 82.0444 82.0557 82.0907 82.3165 82.3931 82.5088 82.6781 82.7331 82.8310 82.8705 82.9906 83.0821 83.1585 83.3331 83.3979 83.5271 83.5979 83.7692 83.7873 83.9615 84.0260 84.2046 84.3684 84.4077 84.5449 84.7356 84.8308 84.9365 85.0979 85.1887 85.2089 85.2745 85.3276 85.4457 85.5729 85.6945 85.8081 85.9138 86.0612 86.1450 86.1793 86.2704 86.3313 86.4260 86.6915 86.8471 86.9356 87.0040 87.1903 87.2987 87.3462 87.3992 87.4209 87.6973 87.7011 87.8884 87.9348 88.0044 88.2940 88.3371 88.4427 88.5259 88.6440 88.7933 88.8006 88.8554 89.0666 89.2145 89.4025 89.4562 89.5475 89.6735 89.8190 89.9048 89.9788 90.1765 90.3117 90.3757 90.5189 90.6207 90.6864 90.7038 90.9209 90.9968 91.1382 91.1782 91.3348 91.5094 91.5909 91.9166 92.0029 92.2358 92.3018 92.4394 92.4958 92.5827 92.7761 92.8010 92.9749 93.0644 93.1507 93.1799 93.4093 93.6226 93.7122 93.7562 93.8127 93.8660 94.0362 94.0576 94.1863 94.2130 94.3928 94.5684 94.6799 94.8280 94.9374 95.0034 95.1871 95.2844 95.3860 95.4138 95.6226 95.8216 95.8674 96.0022 96.0285 96.2524 96.3543 96.5063 96.5696 96.6807 96.7830 96.8195 96.9031 97.0808 97.2506 97.4492 97.6026 97.7039 97.8667 97.9702 98.0303 98.2181 98.3759 98.4618 98.6767 98.7485 98.8924 99.0503 99.1986 99.3106 99.3807 99.4289 99.6000 99.9216 100.0322 100.0755 100.2625 100.3260 100.3423 100.5906 100.8410 100.8953 100.9535 101.0677 101.1882 101.4953 101.6348 101.7901 101.7956 102.0918 102.2994 102.5063 102.6152 102.6524 102.8298 102.8975 103.1752 103.2849 103.4920 103.5742 103.6458 103.7610 103.9115 104.2927 104.4642 104.5326 104.6275 104.8570 104.9410 105.1793 105.1845 105.2484 105.4063 105.5870 105.6072 105.7639 105.8282 105.8887 105.9072 106.0485 106.1774 106.2609 106.4008 106.6072 106.6655 106.7246 106.7941 106.8409 107.2609 107.3254 107.5559 107.6629 107.8348 108.0216 108.2627 108.3786 108.5081 108.5617 108.6566 108.8235 109.1563 109.3354 109.3776 109.5648 109.7564 109.7991 109.9585 110.0314 110.1130 110.2896 110.5234 110.6925 110.7724 110.9732 110.9843 111.1547 111.3857 111.6426 111.7608 111.8946 112.0542 112.1080 112.3500 112.5282 112.6634 112.7487 112.9842 113.0305 113.2524 113.3012 113.4676 113.7196 113.8080 113.9985 114.1299 114.3518 114.4884 114.5646 114.7758 114.8334 114.9336 115.3970 115.5862 115.6596 115.9006 116.0336 116.2522 116.3519 116.4373 116.4883 116.6643 116.7666 117.0076 117.1457 117.2981 117.3190 117.3804 117.4406 117.6060 117.7488 117.8786 118.0148 118.1057 118.2670 118.3846 118.4900 118.6896 118.8345 118.8378 118.8905 119.0007 119.0737 119.0834 119.2384 119.3955 119.4000 119.6204 119.9609 120.1103 120.1760 120.3406 120.5630 120.6019 120.7316 120.9416 121.1740 121.2895 121.4851 121.6018 121.8764 122.1019 122.3835 122.4574 122.7415 122.9358 123.0586 123.2479 123.4519 123.6591 123.8609 124.0281 124.2668 124.7500 124.8609 125.1492 125.5571 125.5995 125.8541 126.1599 126.6194 126.9026 127.1938 127.3904 127.5908 127.9601 128.1708 128.5430 128.6652 128.7553 128.8783 128.9949 129.0112 129.1976 129.2924 129.7408 129.7986 129.8443 130.0641 130.1174 130.3715 130.6343 130.6825 130.9148 131.0814 131.2339 131.3927 131.5212 131.7133 131.9444 132.0253 132.1642 132.1867 132.3247 132.4699 132.5850 132.8208 133.0599 133.2788 133.3751 133.5274 133.8856 134.1428 134.2035 134.6171 134.8967 135.2042 135.5217 135.5537 135.8304 135.9698 136.4808 136.7595 136.8772 137.5699 137.6642 138.2613 138.4150 138.5092 138.6367 138.7657 138.8815 139.1087 139.3332 139.5971 139.7070 139.7293 139.9768 140.0966 140.4871 140.6969 140.9498 141.1265 141.6311 141.9003 141.9145 142.8020 143.2590 143.6523 143.7688 143.8758 144.2490 144.3233 144.5028 144.5152 144.8138 144.9014 145.0134 145.3083 145.5258 145.9680 146.2392 146.3306 146.6297 146.7591 146.8949 147.1345 147.3917 147.6106 148.0234 148.5355 148.5770 148.6470 148.7899 149.1772 149.3208 149.4064 149.6387 149.9162 150.1339 150.3150 150.3898 150.5194 150.7309 150.8930 151.1104 151.2583 151.4879 151.9316 152.4452 152.5821 152.5910 152.8089 152.9343 153.0860 153.7785 154.2139 154.3114 154.7307 155.0760 155.8148 156.2366 156.3324 157.0880 157.4117 157.6109 157.7083 157.9080 158.0085 158.2507 158.6736 159.1472 159.4098 159.5628 159.6656 160.3157 160.6366 160.7241 161.2080 161.7010 162.0232 162.1802 162.8875 164.0403 164.3122 165.3437 165.9169 166.2391 166.5673 166.8227 168.8829 169.9914 170.2771 171.3581 171.7084 171.7778 173.2341 174.6340 175.8400 176.1418 176.6458 177.0978 177.6003 178.4566 179.0040 180.0018 181.5450 181.7933 184.3629 186.2771 187.2314 187.7679 187.9181 188.2114 188.2811 188.8434 188.9460 189.1007 189.2781 189.6599 191.9647 192.1411 192.5000 194.8141 195.3037 195.4745 196.7415 197.5386 197.7747 198.0877 199.0493 200.7522 203.6012 203.7157 205.1327 205.4329 209.9342 212.4208 216.3132 221.8426 223.1801 223.6994 227.5738 229.2703 229.6939 229.8751 235.1431 235.4242 240.5016 241.0470 247.0323 247.2710 248.0779 248.5125 295.1445 297.7649 312.8831 611.7136 615.9947 621.5374 626.6282 629.3342 630.8227 631.5816 632.2418 633.8935 634.1435 634.9773 635.3084 635.5226 636.2380 636.4416 637.4937 638.1310 639.1891 642.5292 643.4289 646.5011 647.7620 653.9874 655.5780 658.1698 713.3838 884.2916 898.8577 905.5964 1197.2176 1199.1126 1209.5475 1562.0783 1563.2392 -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 -0.081436 -0.186165 -0.182654 -0.189927 -0.402646 -0.373092 -0.115434 -0.188917 -0.171472 -0.072158 -0.171644 -0.129005 0.166074 0.022571 -0.198298 -0.158801 -0.128784 -0.129302 0.101369 0.063640 -0.043014 -0.157253 -0.116436 0.182793 -0.172893 -0.176346 0.387655 -0.159487 0.368604 0.293950 0.309980 -0.236764 -0.238538 -0.040891 0.098393 0.093350 0.080268 0.075312 0.073215 0.132327 0.124690 0.116622 0.117215 0.088001 0.095123 0.111909 0.115973 0.108794 0.149688 0.175430 0.167741 0.131818 0.131091 0.137761 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 17.0814 9.1862 9.1827 8.1899 8.4026 8.3731 7.1154 7.1889 7.1715 6.0722 6.1716 6.1290 5.8339 5.9774 6.1983 6.1588 6.1288 6.1293 5.8986 5.9364 6.0430 6.1573 6.1164 5.8172 6.1729 6.1763 5.6123 6.1595 5.6314 5.7061 5.6900 6.2368 6.2385 6.0409 0.9016 0.9066 0.9197 0.9247 0.9268 0.8677 0.8753 0.8834 0.8828 0.9120 0.9049 0.8881 0.8840 0.8912 0.8503 0.8246 0.8323 0.8682 0.8689 0.8622 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 -0.0814 -0.1862 -0.1827 -0.1899 -0.4026 -0.3731 -0.1154 -0.1889 -0.1715 -0.0722 -0.1716 -0.1290 0.1661 0.0226 -0.1983 -0.1588 -0.1288 -0.1293 0.1014 0.0636 -0.0430 -0.1573 -0.1164 0.1828 -0.1729 -0.1763 0.3877 -0.1595 0.3686 0.2939 0.3100 -0.2368 -0.2385 -0.0409 0.0984 0.0934 0.0803 0.0753 0.0732 0.1323 0.1247 0.1166 0.1172 0.0880 0.0951 0.1119 0.1160 0.1088 0.1497 0.1754 0.1677 0.1318 0.1311 0.1378 1.2254 1.1137 1.1239 1.9990 2.1101 2.1378 2.9173 3.2583 3.1912 3.8298 3.9209 3.9344 3.8124 3.7051 3.9979 4.0429 4.0230 4.0180 3.9076 3.9046 3.7003 4.0306 3.9458 3.8986 3.9919 4.0053 4.3170 3.5805 4.0957 3.9966 3.9995 4.0060 4.0053 3.8404 1.0065 1.0116 1.0193 1.0195 1.0250 1.0011 1.0171 1.0150 1.0154 1.0098 0.9962 1.0124 1.0157 1.0159 1.0318 1.0677 1.0254 1.0084 1.0088 0.9954 1.2254 1.1137 1.1239 1.9990 2.1101 2.1378 2.9173 3.2583 3.1912 3.8298 3.9209 3.9344 3.8124 3.7051 3.9979 4.0429 4.0230 4.0180 3.9076 3.9046 3.7003 4.0306 3.9458 3.8986 3.9919 4.0053 4.3170 3.5805 4.0957 3.9966 3.9995 4.0060 4.0053 3.8404 1.0065 1.0116 1.0193 1.0195 1.0250 1.0011 1.0171 1.0150 1.0154 1.0098 0.9962 1.0124 1.0157 1.0159 1.0318 1.0677 1.0254 1.0084 1.0088 0.9954 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.9974 1.0615 1.0716 0.8854 0.9552 1.9749 1.9504 1.8855 1.0222 1.2259 0.9337 1.0228 1.1800 0.9533 0.9411 0.9306 0.9503 0.9877 0.9457 1.0038 1.0104 1.0094 1.0044 0.9557 1.3579 1.3795 1.4668 0.9709 1.4832 0.9630 1.4017 0.9734 1.3793 0.9767 0.9262 1.0125 0.9966 1.3696 1.3777 1.5205 0.9852 1.4698 0.9844 1.3505 1.4260 0.9603 0.9400 0.8780 1.3450 1.3386 1.4794 1.4800 1.3980 0.9739 1.3960 0.9735 0.9650 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 -0.025789688 -2014.657129854839 21.58485 -23.44408 -1.85923 -20.40519 20.24286 -0.16233 7.68003 -6.81539 0.86464 2.05687 5.22814