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:-2.8264,-1.5961,-5.0207;5.8399,1.3076,3.0623;5.0014,-1.3898,-.6436;-4.9046,1.3141,.2261;2.1458,2.3192,-1.106;3.2214,.0189,2.168;-4.9307,.2904,1.1429;1.3108,1.3846,.8135;3.5489,1.1636,.2234;-4.7132,-2.0005,1.5402;-5.077,-3.3779,1.0563;-3.6764,-3.0895,1.4675;-4.6488,-.8389,.6299;-4.2167,-1.0238,-.7777;-5.0953,-1.4824,-1.7507;-2.9043,-.7311,-1.1347;-4.6743,-1.6598,-3.0595;-2.4708,-.9061,-2.4378;-3.361,-1.3728,-3.3922;-4.2887,2.4465,.8115;-2.7972,2.2775,.8436;-2.1732,1.6196,1.8979;-2.0144,2.6577,-.2382;-.0437,1.7275,.7647;-.8189,1.3463,1.8611;-.6537,2.4005,-.2927;2.2688,1.6795,-.0905;5.3816,-.0233,1.2069;3.9403,.3748,1.262;6.2798,.4389,2.1564;5.8582,-.921,.2652;7.6031,.0478,2.1701;7.1706,-1.3469,.2452;8.0365,-.8518,1.2076;-5.0606,-1.7344,2.5311;-5.2693,-3.5237,.0017;-5.701,-3.9765,1.7063;-3.3115,-3.4873,2.4049;-2.9267,-3.027,.6892;-6.1253,-1.6933,-1.4924;-2.2131,-.3557,-.3905;-5.363,-2.0132,-3.8141;-1.4503,-.6739,-2.7088;-4.5715,3.2906,.1805;-4.6912,2.6181,1.8152;-2.7548,1.3008,2.7537;-2.4765,3.1615,-1.0788;-.3568,.8282,2.6937;-.0833,2.7175,-1.1498;1.6107,.8426,1.6167;4.2414,1.4177,-.4651;8.2754,.4383,2.9207;7.5011,-2.0522,-.504;9.0691,-1.1719,1.2068; 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 3464.5439473441 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 5.691e-06 Time for diagonalization 0.857 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.752 sec Total time needed 1.626 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:-2.8264,-1.5961,-5.0207;5.8399,1.3076,3.0623;5.0014,-1.3898,-.6436;-4.9046,1.3141,.2261;2.1458,2.3192,-1.106;3.2214,.0189,2.168;-4.9307,.2904,1.1429;1.3108,1.3847,.8135;3.5489,1.1636,.2234;-4.7132,-2.0005,1.5402;-5.077,-3.3779,1.0563;-3.6764,-3.0895,1.4675;-4.6488,-.8389,.6299;-4.2167,-1.0238,-.7777;-5.0953,-1.4824,-1.7507;-2.9043,-.7311,-1.1347;-4.6743,-1.6598,-3.0595;-2.4708,-.9061,-2.4378;-3.361,-1.3728,-3.3922;-4.2887,2.4465,.8115;-2.7972,2.2775,.8436;-2.1732,1.6196,1.8979;-2.0144,2.6577,-.2382;-.0437,1.7275,.7647;-.8189,1.3463,1.8611;-.6537,2.4005,-.2927;2.2688,1.6795,-.0905;5.3816,-.0233,1.2069;3.9403,.3748,1.262;6.2798,.4389,2.1564;5.8582,-.921,.2652;7.6031,.0478,2.1701;7.1706,-1.3469,.2452;8.0365,-.8518,1.2076;-5.0606,-1.7344,2.5311;-5.2693,-3.5237,.0017;-5.701,-3.9765,1.7063;-3.3115,-3.4873,2.4049;-2.9267,-3.027,.6892;-6.1253,-1.6933,-1.4924;-2.2131,-.3557,-.3905;-5.363,-2.0132,-3.8141;-1.4503,-.6739,-2.7088;-4.5715,3.2906,.1805;-4.6912,2.6181,1.8152;-2.7548,1.3008,2.7537;-2.4765,3.1615,-1.0788;-.3568,.8282,2.6937;-.0833,2.7175,-1.1498;1.6107,.8426,1.6167;4.2414,1.4177,-.4651;8.2754,.4383,2.9207;7.5011,-2.0522,-.504;9.0691,-1.1719,1.2068; 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:-2.8264,-1.5961,-5.0207;5.8399,1.3076,3.0623;5.0014,-1.3898,-.6436;-4.9046,1.3141,.2261;2.1458,2.3192,-1.106;3.2214,.0189,2.168;-4.9307,.2904,1.1429;1.3108,1.3846,.8135;3.5489,1.1636,.2234;-4.7132,-2.0005,1.5402;-5.077,-3.3779,1.0563;-3.6764,-3.0895,1.4675;-4.6488,-.8389,.6299;-4.2167,-1.0238,-.7777;-5.0953,-1.4824,-1.7507;-2.9043,-.7311,-1.1347;-4.6743,-1.6598,-3.0595;-2.4708,-.9061,-2.4378;-3.361,-1.3728,-3.3922;-4.2887,2.4465,.8115;-2.7972,2.2775,.8436;-2.1732,1.6196,1.8979;-2.0144,2.6577,-.2382;-.0437,1.7275,.7647;-.8189,1.3463,1.8611;-.6537,2.4005,-.2927;2.2688,1.6795,-.0905;5.3816,-.0233,1.2069;3.9403,.3748,1.262;6.2798,.4389,2.1564;5.8582,-.921,.2652;7.6031,.0478,2.1701;7.1706,-1.3469,.2452;8.0365,-.8518,1.2076;-5.0606,-1.7344,2.5311;-5.2693,-3.5237,.0017;-5.701,-3.9765,1.7063;-3.3115,-3.4873,2.4049;-2.9267,-3.027,.6892;-6.1253,-1.6933,-1.4924;-2.2131,-.3557,-.3905;-5.363,-2.0132,-3.8141;-1.4503,-.6739,-2.7088;-4.5715,3.2906,.1805;-4.6912,2.6181,1.8152;-2.7548,1.3008,2.7537;-2.4765,3.1615,-1.0788;-.3568,.8282,2.6937;-.0833,2.7175,-1.1498;1.6107,.8426,1.6167;4.2414,1.4177,-.4651;8.2754,.4383,2.9207;7.5011,-2.0522,-.504;9.0691,-1.1719,1.2068; -2014.62809521 3464.54394734 -5479.17204256 -9647.85453188 4168.68248932 -4022.37802118 2007.74992596 2.00342581 125.000116127304 125.000116127304 250.000232254607 -167.140679795424 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 -2765.1131 -675.6289 -675.5226 -524.1805 -523.6602 -522.8575 -394.2719 -393.6832 -393.4912 -283.8719 -283.8651 -283.1519 -283.1202 -281.4598 -281.2357 -281.0871 -280.9711 -280.9132 -280.9109 -280.6607 -280.6433 -280.2493 -280.1373 -280.0977 -280.0670 -280.0346 -280.0166 -279.8734 -279.8540 -279.8340 -279.8236 -279.7855 -279.7536 -279.6693 -260.3857 -199.2205 -198.9853 -198.9778 -37.5920 -37.5087 -33.1102 -32.9551 -32.3834 -29.4900 -29.0761 -27.9101 -27.8703 -27.4826 -26.7347 -26.4173 -25.9916 -25.2235 -24.5593 -24.1600 -23.9183 -23.6931 -23.3855 -22.4183 -21.8048 -21.0391 -20.8438 -20.5117 -20.2358 -20.0620 -19.7136 -19.5156 -19.4730 -19.1772 -18.7203 -18.4694 -18.1766 -18.1521 -17.7651 -17.3683 -17.1587 -16.9938 -16.7753 -16.7494 -16.3941 -16.3614 -16.1269 -16.0740 -16.0581 -15.8205 -15.6736 -15.6135 -15.4257 -15.2886 -15.0557 -14.8318 -14.7643 -14.5953 -14.5669 -14.4874 -14.1767 -14.1311 -13.7947 -13.6780 -13.6278 -13.4530 -13.3898 -13.3291 -13.2054 -12.8823 -12.7282 -12.6578 -12.3454 -12.1283 -11.9410 -11.7438 -11.4347 -11.2834 -11.1841 -11.0597 -10.9417 -10.8674 -10.4760 -10.1959 -9.9227 -9.9220 -9.6723 -9.4022 -9.0923 -8.7882 -8.4301 0.3888 1.0863 1.1624 1.3143 1.4317 1.6389 1.9633 2.3164 2.7540 2.9858 3.2866 3.4766 3.6595 3.8225 3.9255 4.0525 4.0611 4.2484 4.3691 4.3877 4.4949 4.6579 4.7858 4.8941 4.9222 5.1530 5.1694 5.2351 5.2801 5.4797 5.5930 5.6750 5.7766 5.8575 5.9184 6.0327 6.1646 6.2394 6.4385 6.5218 6.5595 6.6259 6.8275 6.9171 7.0094 7.0982 7.1486 7.1876 7.3049 7.4657 7.5694 7.6984 7.7156 7.8305 7.8719 8.0536 8.1511 8.2202 8.3276 8.3790 8.4056 8.4580 8.6737 8.7116 8.7471 9.0134 9.1934 9.2206 9.3453 9.4278 9.5308 9.6129 9.7290 9.8503 9.9022 10.0016 10.0795 10.1769 10.2296 10.2872 10.3916 10.4246 10.5170 10.7079 10.7485 10.7798 10.9332 10.9794 11.0334 11.1827 11.2416 11.2904 11.3299 11.4371 11.5008 11.5925 11.6656 11.7190 11.7744 11.8772 11.9047 12.0458 12.1538 12.2517 12.3360 12.4107 12.4586 12.5190 12.6066 12.6441 12.7147 12.8568 12.8661 12.9685 13.0204 13.0837 13.1175 13.1644 13.1914 13.3469 13.4995 13.6038 13.6602 13.7376 13.8547 13.9041 13.9326 14.0043 14.0381 14.2103 14.2970 14.3699 14.4685 14.5113 14.5453 14.6769 14.8106 14.8779 14.9609 15.0920 15.1213 15.2339 15.2899 15.4372 15.5569 15.6245 15.6650 15.7658 15.8948 15.9270 15.9693 16.1200 16.2813 16.3658 16.4968 16.6056 16.6660 16.7422 16.8143 16.9292 17.0799 17.1380 17.2647 17.3450 17.4466 17.5732 17.6309 17.7141 17.7498 17.8927 17.9945 18.0857 18.1901 18.3291 18.4783 18.5821 18.6639 18.7300 18.9766 19.0812 19.1526 19.3046 19.4682 19.5333 19.6328 19.7354 19.7862 19.8714 20.0424 20.1629 20.2635 20.3545 20.4776 20.7195 20.7731 20.8293 20.9104 21.0003 21.1597 21.2725 21.3364 21.5089 21.5696 21.6615 21.8279 21.8728 22.0762 22.1688 22.2618 22.2702 22.3735 22.4875 22.7052 22.7510 22.7933 22.8448 22.9231 23.0565 23.2855 23.3842 23.4550 23.5790 23.6640 23.8960 23.9677 24.1640 24.1958 24.3292 24.4730 24.6753 24.6914 24.8374 24.9063 25.0416 25.1641 25.2877 25.3820 25.5341 25.6136 25.7123 25.8210 26.0618 26.1966 26.2917 26.4054 26.4968 26.5138 26.6307 26.7717 26.8407 26.9602 27.0939 27.1549 27.4782 27.5233 27.6178 27.7444 27.7966 27.9158 28.1101 28.1623 28.2315 28.2500 28.4339 28.5072 28.5396 28.7158 28.8550 28.9366 29.0702 29.1727 29.3311 29.4222 29.4829 29.5653 29.6150 29.8872 30.0377 30.2003 30.2163 30.3577 30.4531 30.5562 30.6218 30.6747 30.8136 30.9024 31.1799 31.3573 31.3958 31.5550 31.6600 31.8274 32.0118 32.0472 32.1245 32.3792 32.4424 32.5419 32.6460 32.7065 32.8746 33.1141 33.4030 33.4343 33.6016 33.6543 33.9121 34.0352 34.0766 34.3008 34.4292 34.5213 34.6172 34.7232 34.8597 34.9663 35.1750 35.2388 35.3229 35.4295 35.5528 35.6439 35.8400 36.0459 36.1697 36.3264 36.4053 36.4772 36.5765 36.7684 36.8706 36.9041 37.1049 37.2309 37.2771 37.3299 37.3642 37.5505 37.6185 37.7202 37.8957 37.9845 38.0920 38.2335 38.3757 38.5019 38.5943 38.7122 38.7469 38.8761 38.9756 39.0953 39.2621 39.2983 39.4340 39.4682 39.6012 39.8592 40.0685 40.1538 40.1964 40.3218 40.4681 40.5642 40.7046 40.8116 40.8592 40.8999 40.9862 41.2560 41.3500 41.4564 41.5184 41.7320 41.8312 42.0180 42.1707 42.3240 42.4157 42.5788 42.6606 42.8979 42.9270 43.1978 43.2484 43.3430 43.5008 43.5194 43.6011 43.7935 43.8821 44.0483 44.1706 44.4395 44.6275 44.7253 44.7985 44.8835 45.0502 45.2028 45.2400 45.4230 45.4525 45.7209 45.8480 45.9568 46.0703 46.2325 46.3375 46.4591 46.4791 46.6409 46.7095 47.0087 47.1480 47.1601 47.2681 47.4395 47.5584 47.8704 47.9196 48.1757 48.2859 48.3519 48.5910 48.6433 48.7336 48.7981 48.8632 49.0789 49.1691 49.4545 49.6023 49.6722 49.9918 50.1128 50.2081 50.3020 50.7016 50.8581 50.9257 51.0381 51.2180 51.3412 51.4521 51.6411 51.8317 51.9705 52.0926 52.2218 52.4014 52.7371 52.7745 53.0903 53.2001 53.3679 53.4658 53.6269 53.6704 53.7313 53.8944 54.0724 54.2660 54.3814 54.5952 54.9269 55.1036 55.2440 55.5698 55.6314 56.1299 56.1910 56.3498 56.6151 56.7754 56.8774 57.0014 57.1047 57.2924 57.4149 57.6235 57.6731 57.8934 58.1689 58.3203 58.3476 58.5712 58.8593 58.9566 59.2147 59.3836 59.5169 59.7403 59.8575 59.9815 60.1433 60.1721 60.2503 60.3547 60.5441 60.8488 61.1783 61.3562 61.5472 61.6778 61.7633 61.8475 62.0321 62.4563 62.5333 62.7509 63.1350 63.2034 63.3950 63.5871 63.7436 63.8190 63.9959 64.1527 64.2094 64.3869 64.4655 64.5526 64.6142 64.7548 64.9728 65.1532 65.2130 65.6024 65.9263 66.0917 66.1634 66.1999 66.2756 66.5832 66.6909 66.8315 66.9954 67.1606 67.2875 67.5021 67.6200 67.9055 68.0757 68.2539 68.4205 68.5605 68.6525 68.7763 69.2450 69.5071 69.7174 70.0222 70.3112 70.4618 70.6192 70.9058 70.9701 71.4168 71.6056 71.6758 71.8563 72.2524 72.5241 73.1605 73.1779 73.3485 73.7498 73.9603 74.2156 74.4387 74.5109 74.5546 74.6891 74.8060 75.1349 75.3447 75.5553 75.8363 75.8754 75.9661 76.0943 76.5410 76.6372 76.6858 76.8600 76.9548 77.2757 77.3040 77.4053 77.5881 77.7647 77.8987 77.9982 78.0962 78.1667 78.2151 78.4873 78.5430 78.7245 78.8401 78.9400 79.0441 79.0663 79.2671 79.5335 79.5896 79.6892 79.7614 79.8034 79.9227 79.9517 80.0215 80.0792 80.1516 80.4162 80.5326 80.6730 80.7904 80.8639 81.0921 81.2040 81.2534 81.3622 81.4289 81.6952 81.8271 81.9105 82.0017 82.1872 82.3622 82.4519 82.6119 82.6836 82.7394 82.8029 82.8566 83.0698 83.2107 83.3994 83.4915 83.5804 83.6456 83.8359 83.8936 84.0344 84.1229 84.3062 84.3931 84.5185 84.5525 84.7411 84.7588 84.9239 85.2545 85.2959 85.3545 85.3814 85.5389 85.6104 85.7047 85.7546 85.8639 86.0803 86.2058 86.2112 86.3418 86.4191 86.5565 86.6131 86.7442 86.8761 86.9587 87.1149 87.1734 87.3478 87.3810 87.5435 87.6437 87.6528 87.8882 87.9987 88.0562 88.1870 88.2442 88.4961 88.5764 88.6436 88.7069 88.7633 88.8512 89.0465 89.0942 89.2469 89.3099 89.4823 89.5051 89.7002 89.9429 90.0102 90.3026 90.3801 90.4799 90.5777 90.6402 90.6961 90.9007 90.9781 91.1143 91.2153 91.4350 91.4581 91.5935 91.6279 91.9157 91.9267 92.1335 92.2914 92.3223 92.5507 92.6651 92.6769 92.8116 92.8600 92.9889 93.0032 93.1626 93.4045 93.4667 93.5559 93.7351 93.7432 93.8486 93.9406 94.0880 94.1477 94.2497 94.3047 94.4098 94.5212 94.6006 94.6603 94.9294 95.0184 95.1532 95.2626 95.4045 95.6402 95.6845 95.7320 95.8720 95.9163 96.1607 96.1874 96.3339 96.4464 96.7647 96.7920 96.8430 96.9269 97.1219 97.2656 97.3137 97.4493 97.6240 97.7703 97.8087 98.0118 98.0186 98.0711 98.2306 98.5466 98.7363 98.7915 98.8950 99.0615 99.1706 99.2891 99.4711 99.5283 99.6447 99.8097 99.8306 99.9783 100.1773 100.2228 100.3404 100.4062 100.6645 100.7525 100.8836 101.0559 101.1837 101.2460 101.3275 101.5188 101.5554 101.8324 102.0811 102.2190 102.3592 102.4235 102.6526 102.6960 103.0608 103.1767 103.3853 103.4817 103.6721 103.7722 103.9077 104.1432 104.2385 104.5459 104.7071 104.7517 104.8302 104.9601 105.0755 105.1863 105.2861 105.3339 105.5079 105.6110 105.7505 105.9068 106.0202 106.0926 106.1303 106.1656 106.3112 106.3760 106.5771 106.7117 106.7590 106.9325 107.1309 107.1988 107.4028 107.5157 107.6823 107.8088 107.9732 108.2136 108.2424 108.3620 108.5576 108.7621 108.9500 109.0673 109.3512 109.5902 109.7400 109.7780 110.0311 110.1364 110.2971 110.3443 110.4286 110.6412 110.7076 110.8608 110.9713 111.0251 111.2392 111.4246 111.6470 111.8406 112.0522 112.1604 112.2345 112.2855 112.3656 112.5986 112.8651 113.0435 113.3255 113.4353 113.5957 113.6467 113.8982 113.9783 114.1218 114.2573 114.6216 114.6570 114.7616 114.8624 115.0031 115.1611 115.5977 115.7385 115.8292 115.9103 116.0158 116.2065 116.4451 116.4537 116.5572 116.6527 116.7116 116.8004 116.8252 117.0525 117.1492 117.2215 117.3229 117.4082 117.6643 117.9593 117.9908 118.0504 118.1350 118.3078 118.3544 118.6219 118.6650 118.7105 118.8816 119.0655 119.1528 119.2787 119.3203 119.4446 119.6701 119.8823 120.0929 120.1186 120.4168 120.4708 120.6684 120.8393 120.8641 121.0299 121.4269 121.4532 121.6788 121.7402 121.9711 122.0873 122.3575 122.4228 122.6807 122.9920 123.0821 123.1262 123.3904 123.7766 123.9145 124.2523 124.8206 125.0681 125.3513 125.4892 125.6745 125.7779 126.1101 126.5048 126.8227 126.9850 127.3323 127.4239 127.7346 128.1908 128.2353 128.4281 128.5632 128.7340 128.8231 129.0158 129.0440 129.1577 129.3705 129.6321 129.9318 129.9774 130.0391 130.0963 130.3200 130.5680 130.7769 130.8457 131.1216 131.2033 131.4818 131.5963 131.6802 131.7211 132.0493 132.1325 132.2121 132.3362 132.4093 132.5999 132.7142 132.9190 133.0832 133.3778 133.5255 133.9011 134.1672 134.3090 134.6008 134.7331 134.8247 135.1583 135.2906 135.8586 136.3670 136.4524 136.5695 137.4350 137.6869 138.0736 138.3966 138.4696 138.5627 138.6212 138.8538 139.2439 139.4582 139.5404 139.6793 139.7599 139.9689 140.2935 140.4044 140.5888 140.8457 140.9643 141.1764 141.4345 141.8465 142.1087 143.4408 143.6589 143.8369 143.8762 144.0681 144.2537 144.2918 144.3911 144.4692 144.6275 144.8373 144.9635 145.0995 145.3817 146.1695 146.3864 146.5905 146.6647 146.7806 146.9584 147.2612 147.5153 147.8638 148.2303 148.4099 148.6756 148.8375 148.9385 149.2084 149.3810 149.4499 149.7101 149.9032 150.1033 150.2686 150.3639 150.7184 151.0135 151.1959 151.3372 151.4602 151.7365 152.0639 152.3670 152.5674 152.6592 152.7870 152.9678 153.2636 154.0430 154.1766 154.5832 154.7239 155.5364 155.7927 156.1274 156.3089 156.7838 157.2148 157.6314 157.7576 157.7810 158.0680 158.2558 158.7337 159.2481 159.4910 159.6116 160.2140 160.5032 160.7118 160.7177 161.5702 161.8151 161.9957 162.1884 163.6465 164.1579 164.5824 165.7713 166.1444 166.2201 166.7624 167.1682 169.4847 170.2688 170.3362 171.1072 171.6759 171.8579 173.3267 174.5332 175.7647 176.1652 176.6709 177.1801 177.6522 178.4301 178.5370 178.9472 179.3868 181.6467 184.3737 186.1948 186.8638 187.8742 187.9852 188.0600 188.2670 188.8555 188.9206 189.0880 189.3818 189.6196 192.0826 192.5012 192.7795 194.8251 195.3014 195.4651 196.3886 196.7548 197.5746 198.0826 199.0160 200.7178 201.8024 203.6986 205.0139 205.4251 209.8603 212.5201 215.7565 221.8348 223.2329 223.6887 227.4898 229.2496 229.8606 229.8768 235.0132 235.2208 240.4803 241.0305 247.0290 247.1915 247.9929 248.5510 295.1431 297.7044 312.8778 611.2216 616.6294 623.5329 626.5621 629.3152 630.7460 630.8629 632.4382 633.6745 634.1836 634.3337 635.1579 635.2711 636.4808 637.5905 637.9909 638.4110 639.5313 640.8611 643.2743 645.6630 647.8299 653.9842 656.3501 658.0706 713.1765 884.2132 898.9694 905.6719 1197.3583 1199.1579 1208.8932 1561.9593 1563.4338 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 -0.079956 -0.180432 -0.187109 -0.202601 -0.402326 -0.373337 -0.123606 -0.186405 -0.174390 -0.039419 -0.141267 -0.145395 0.150877 0.116746 -0.222737 -0.258205 -0.116922 -0.110687 0.081309 0.080806 -0.074582 -0.121579 -0.105268 0.173548 -0.173966 -0.198443 0.388994 -0.156189 0.372603 0.302508 0.283483 -0.230317 -0.229246 -0.042992 0.074046 0.081889 0.082237 0.080931 0.085651 0.132997 0.141847 0.119732 0.121772 0.087305 0.090114 0.116263 0.107703 0.107296 0.150984 0.176876 0.168236 0.131011 0.131916 0.137693 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 17.0800 9.1804 9.1871 8.2026 8.4023 8.3733 7.1236 7.1864 7.1744 6.0394 6.1413 6.1454 5.8491 5.8833 6.2227 6.2582 6.1169 6.1107 5.9187 5.9192 6.0746 6.1216 6.1053 5.8265 6.1740 6.1984 5.6110 6.1562 5.6274 5.6975 5.7165 6.2303 6.2292 6.0430 0.9260 0.9181 0.9178 0.9191 0.9143 0.8670 0.8582 0.8803 0.8782 0.9127 0.9099 0.8837 0.8923 0.8927 0.8490 0.8231 0.8318 0.8690 0.8681 0.8623 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 -0.0800 -0.1804 -0.1871 -0.2026 -0.4023 -0.3733 -0.1236 -0.1864 -0.1744 -0.0394 -0.1413 -0.1454 0.1509 0.1167 -0.2227 -0.2582 -0.1169 -0.1107 0.0813 0.0808 -0.0746 -0.1216 -0.1053 0.1735 -0.1740 -0.1984 0.3890 -0.1562 0.3726 0.3025 0.2835 -0.2303 -0.2292 -0.0430 0.0740 0.0819 0.0822 0.0809 0.0857 0.1330 0.1418 0.1197 0.1218 0.0873 0.0901 0.1163 0.1077 0.1073 0.1510 0.1769 0.1682 0.1310 0.1319 0.1377 1.2263 1.1283 1.1115 1.9521 2.1094 2.1391 2.8898 3.2471 3.1924 3.8525 3.9070 3.8915 3.7651 3.5158 4.0079 4.0371 4.0011 3.9995 3.9330 3.9082 3.6827 3.9627 3.9581 3.8648 3.9808 3.9889 4.3170 3.5770 4.0935 4.0027 3.9914 4.0001 3.9991 3.8458 1.0368 1.0235 1.0210 1.0215 1.0212 1.0068 0.9860 1.0133 1.0141 0.9963 1.0134 1.0259 1.0134 1.0176 1.0320 1.0670 1.0261 1.0089 1.0084 0.9956 1.2263 1.1283 1.1115 1.9521 2.1094 2.1391 2.8898 3.2471 3.1924 3.8525 3.9070 3.8915 3.7651 3.5158 4.0079 4.0371 4.0011 3.9995 3.9330 3.9082 3.6827 3.9627 3.9581 3.8648 3.9808 3.9889 4.3170 3.5770 4.0935 4.0027 3.9914 4.0001 3.9991 3.8458 1.0368 1.0235 1.0210 1.0215 1.0212 1.0068 0.9860 1.0133 1.0141 0.9963 1.0134 1.0259 1.0134 1.0176 1.0320 1.0670 1.0261 1.0089 1.0084 0.9956 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 1.0075 1.0763 1.0604 0.8597 0.9681 1.9738 1.9498 1.8866 1.0178 1.2254 0.9324 1.0256 1.1798 0.9542 0.9284 0.9050 1.0410 1.0063 0.9374 0.9965 1.0112 1.0091 1.0017 0.8082 1.3324 1.3367 1.4616 0.9806 1.4731 0.9846 1.4051 0.9731 1.3919 0.9718 0.9300 0.9961 1.0156 1.3487 1.3793 1.5039 0.9896 1.4722 0.9895 1.3534 1.4102 0.9677 0.9516 0.8866 1.3346 1.3418 1.4809 1.4779 1.3948 0.9735 1.3986 0.9742 0.9649 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 -0.028670314 -2014.656765527853 -26.73085 28.68639 1.95554 -4.41741 3.58421 -0.83321 12.80758 -12.10012 0.70746 2.24028 5.69434