Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Cl Cl F F F F O 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 H H H H H H H H H H H H H H H H H H H 1 1 2 2 2 2 3 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 529.1634127999998 AuxInfo=1/0/N:36,35,33,27,29,24,21,22,15,23,26,19,17,25,32,31,16,20,34,30,28,14,18,2,1,6,3,4,5,12,11,13,10,9,8,7/E:(7,8)(15,16)(24,25)(27,28,29)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,31.2,33.1,34.1/rA:55nClClFFFFOOO1O1N2NNCCC3C3CC3CC3C3CC3C3C3C3C3C3C3C3C3CC3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s7;;s8;s7;s14;s11s15;s14;s3s4s5s14;s16;s12;s17;s17;s8s20;s19;;s24s25;s19;s9s13s20;s25s27;s10s12s25;s1s22;s2s21;s13;s6s31s32;s26;s33;s15;s15;s20;s21;s22;s23;s23;s24;s27;s12;s29;s33;s33;s35;s35;s35;s36;s36;s36;/rC:-7.1502,-.8353,-2.016;-5.8375,-.7215,3.157;-4.1421,3.504,-1.0241;-3.4778,3.4083,1.0215;-2.0777,3.8647,-.5514;-7.4074,-1.3953,.8188;-2.5045,1.4732,-1.7865;8.8441,-1.3864,.3373;6.0715,-2.4456,2.0997;5.2409,-1.647,-.7526;-1.1836,1.1302,-1.9334;5.5749,.0623,.6789;8.103,-2.3059,1.0733;-2.8406,1.6253,-.4054;-1.5751,1.2048,.351;-.6385,.9862,-.7911;-4.0748,.8104,-.0808;-3.1389,3.1188,-.2354;.7637,.6041,-.6479;6.8826,-.3576,1.0859;-4.3499,.4692,1.2382;-4.9426,.4204,-1.0927;7.9721,-.2947,.0218;1.5875,.4578,-1.7656;3.4266,-.1578,-.3669;2.9138,.0705,-1.6522;1.2924,.3791,.6184;6.9271,-1.8272,1.4873;2.6195,.0065,.7518;4.822,-.6499,-.1755;-6.0662,-.3267,-.7833;-5.4774,-.2746,1.5373;8.4516,-3.6881,.847;-6.334,-.6752,.5278;3.7477,-.0751,-2.8908;8.0441,-4.1807,-.5291;-1.7154,.2788,.9111;-1.2012,1.9473,1.0578;7.1555,.2409,1.9577;-3.6874,.7583,2.0432;-4.7548,.676,-2.1257;7.5676,-.4105,-.9858;8.5622,.6179,.0661;1.1881,.6515,-2.7531;.6827,.4868,1.5054;5.1815,.879,1.12;3.0176,-.1775,1.7415;9.5236,-3.8033,1.0077;7.9567,-4.2619,1.6292;3.2785,.4417,-3.7265;4.7486,.3378,-2.7656;3.8597,-1.1218,-3.1758;6.9652,-4.1159,-.6681;8.336,-5.2244,-.6429;8.5303,-3.6122,-1.3213; 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 1977 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 280 Dim 1404 ENuc 4120.3507608359 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 4.987e-06 Time for diagonalization 0.435 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.410 sec Total time needed 0.854 sec 17 17 9 9 9 9 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 529.1634127999998 AuxInfo=1/0/N:36,35,33,27,29,24,21,22,15,23,26,19,17,25,32,31,16,20,34,30,28,14,18,2,1,6,3,4,5,12,11,13,10,9,8,7/E:(7,8)(15,16)(24,25)(27,28,29)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,31.2,33.1,34.1/rA:55nClClFFFFOOO1O1N2NNCCC3C3CC3CC3C3CC3C3C3C3C3C3C3C3C3CC3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s7;;s8;s7;s14;s11s15;s14;s3s4s5s14;s16;s12;s17;s17;s8s20;s19;;s24s25;s19;s9s13s20;s25s27;s10s12s25;s1s22;s2s21;s13;s6s31s32;s26;s33;s15;s15;s20;s21;s22;s23;s23;s24;s27;s12;s29;s33;s33;s35;s35;s35;s36;s36;s36;/rC:-7.1502,-.8353,-2.016;-5.8375,-.7215,3.157;-4.1421,3.504,-1.0241;-3.4778,3.4083,1.0215;-2.0777,3.8647,-.5514;-7.4074,-1.3953,.8188;-2.5045,1.4732,-1.7865;8.8441,-1.3864,.3373;6.0715,-2.4456,2.0997;5.2409,-1.647,-.7526;-1.1836,1.1302,-1.9334;5.5749,.0623,.6789;8.103,-2.3059,1.0733;-2.8406,1.6253,-.4054;-1.5751,1.2048,.351;-.6385,.9862,-.7911;-4.0748,.8104,-.0808;-3.1389,3.1188,-.2354;.7637,.6041,-.6479;6.8826,-.3576,1.0859;-4.3499,.4692,1.2382;-4.9426,.4204,-1.0927;7.9721,-.2947,.0218;1.5875,.4578,-1.7656;3.4266,-.1578,-.3669;2.9138,.0705,-1.6523;1.2924,.3791,.6184;6.9271,-1.8272,1.4873;2.6195,.0065,.7518;4.822,-.6499,-.1755;-6.0662,-.3267,-.7833;-5.4774,-.2746,1.5373;8.4516,-3.6881,.847;-6.334,-.6751,.5278;3.7477,-.0751,-2.8908;8.0441,-4.1807,-.5291;-1.7154,.2788,.9111;-1.2012,1.9473,1.0578;7.1555,.2409,1.9577;-3.6874,.7583,2.0432;-4.7548,.676,-2.1257;7.5676,-.4105,-.9858;8.5622,.6179,.0661;1.1881,.6515,-2.7531;.6827,.4868,1.5054;5.1815,.879,1.12;3.0176,-.1775,1.7415;9.5236,-3.8033,1.0077;7.9567,-4.2619,1.6292;3.2785,.4417,-3.7265;4.7486,.3378,-2.7656;3.8597,-1.1218,-3.1758;6.9652,-4.1159,-.6681;8.336,-5.2244,-.6429;8.5303,-3.6122,-1.3213; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "WATER" 529.1634127999998 AuxInfo=1/0/N:36,35,33,27,29,24,21,22,15,23,26,19,17,25,32,31,16,20,34,30,28,14,18,2,1,6,3,4,5,12,11,13,10,9,8,7/E:(7,8)(15,16)(24,25)(27,28,29)/CRV:4.3,5.3,6.3,7.3,8.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,21.3,31.2,33.1,34.1/rA:55nClClFFFFOOO1O1N2NNCCC3C3CC3CC3C3CC3C3C3C3C3C3C3C3C3CC3CCHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s7;;s8;s7;s14;s11s15;s14;s3s4s5s14;s16;s12;s17;s17;s8s20;s19;;s24s25;s19;s9s13s20;s25s27;s10s12s25;s1s22;s2s21;s13;s6s31s32;s26;s33;s15;s15;s20;s21;s22;s23;s23;s24;s27;s12;s29;s33;s33;s35;s35;s35;s36;s36;s36;/rC:-7.1502,-.8353,-2.016;-5.8375,-.7215,3.157;-4.1421,3.504,-1.0241;-3.4778,3.4083,1.0215;-2.0777,3.8647,-.5514;-7.4074,-1.3953,.8188;-2.5045,1.4732,-1.7865;8.8441,-1.3864,.3373;6.0715,-2.4456,2.0997;5.2409,-1.647,-.7526;-1.1836,1.1302,-1.9334;5.5749,.0623,.6789;8.103,-2.3059,1.0733;-2.8406,1.6253,-.4054;-1.5751,1.2048,.351;-.6385,.9862,-.7911;-4.0748,.8104,-.0808;-3.1389,3.1188,-.2354;.7637,.6041,-.6479;6.8826,-.3576,1.0859;-4.3499,.4692,1.2382;-4.9426,.4204,-1.0927;7.9721,-.2947,.0218;1.5875,.4578,-1.7656;3.4266,-.1578,-.3669;2.9138,.0705,-1.6522;1.2924,.3791,.6184;6.9271,-1.8272,1.4873;2.6195,.0065,.7518;4.822,-.6499,-.1755;-6.0662,-.3267,-.7833;-5.4774,-.2746,1.5373;8.4516,-3.6881,.847;-6.334,-.6752,.5278;3.7477,-.0751,-2.8908;8.0441,-4.1807,-.5291;-1.7154,.2788,.9111;-1.2012,1.9473,1.0578;7.1555,.2409,1.9577;-3.6874,.7583,2.0432;-4.7548,.676,-2.1257;7.5676,-.4105,-.9858;8.5622,.6179,.0661;1.1881,.6515,-2.7531;.6827,.4868,1.5054;5.1815,.879,1.12;3.0176,-.1775,1.7415;9.5236,-3.8033,1.0077;7.9567,-4.2619,1.6292;3.2785,.4417,-3.7265;4.7486,.3378,-2.7656;3.8597,-1.1218,-3.1758;6.9652,-4.1159,-.6681;8.336,-5.2244,-.6429;8.5303,-3.6122,-1.3213; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 1.7300 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3104 GEPOL Volume 3462.9131 GEPOL Surface-area 1879.4529 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.9s) Overall time for CPCM initialization 1.0s -2672.99692773 4120.35076084 -6793.34768856 -11871.89441139 5078.54672283 -0.06749017 -5337.88936498 2664.89243725 2.00304121 140.000122650234 140.000122650234 280.000245300469 -201.538436428217 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2765.6739 -2765.6629 -675.6870 -675.6490 -675.6397 -675.5169 -525.1826 -524.9439 -522.9089 -522.8883 -394.8033 -394.2114 -393.5454 -286.7264 -282.9238 -282.8545 -282.8413 -282.5907 -281.9933 -281.9813 -281.3323 -281.2861 -281.2079 -280.8329 -280.6805 -280.5579 -280.5237 -280.4888 -280.4355 -280.3845 -280.2954 -280.0647 -279.9905 -279.9140 -279.3508 -279.2336 -260.9404 -260.9297 -199.7832 -199.7721 -199.5376 -199.5276 -199.5270 -199.5171 -39.5250 -37.5214 -37.0009 -36.9592 -34.1632 -34.0042 -32.1137 -31.6516 -28.9494 -28.5279 -27.8720 -27.5732 -27.4598 -27.0705 -26.5542 -25.6784 -25.0483 -24.5785 -24.1360 -23.9662 -23.6320 -23.5550 -22.9865 -22.0721 -21.5114 -21.3376 -21.0159 -20.7306 -20.3557 -20.2678 -19.7278 -19.4602 -19.4109 -19.2737 -19.0147 -18.4694 -18.4340 -18.1779 -17.9283 -17.4296 -17.3179 -16.9235 -16.7729 -16.6475 -16.4490 -16.1774 -16.0682 -16.0513 -15.7938 -15.7662 -15.5418 -15.4935 -15.2203 -15.1484 -15.0396 -14.9931 -14.9654 -14.8456 -14.7041 -14.6576 -14.5202 -14.4382 -14.3781 -14.3067 -14.1369 -14.0763 -14.0278 -13.8621 -13.7759 -13.6568 -13.4530 -13.4128 -13.2616 -13.1325 -13.1182 -13.0211 -12.7367 -12.6930 -12.6053 -12.4119 -12.1110 -12.0907 -11.7325 -11.6994 -11.6920 -11.5339 -11.1989 -10.7286 -10.6108 -10.2047 -9.7872 -9.4903 -9.4366 -9.3651 -8.8773 -8.8211 0.1565 0.9229 1.0922 1.5029 2.1722 2.2336 2.3509 3.2558 3.4133 3.4939 3.5886 3.6689 3.8648 4.0805 4.3267 4.3731 4.4831 4.5978 4.6172 4.6894 4.8175 4.9704 5.0270 5.0960 5.2002 5.2335 5.4982 5.5712 5.6385 5.7170 5.7839 5.9163 5.9711 6.0948 6.2493 6.3742 6.4283 6.4556 6.4896 6.6137 6.6956 6.9495 7.0309 7.1212 7.2010 7.3470 7.4362 7.4899 7.6238 7.6610 7.8447 7.8744 7.9600 8.0627 8.0848 8.2257 8.3104 8.3596 8.4514 8.4826 8.6066 8.7883 8.8272 8.9275 8.9600 8.9976 9.0829 9.1624 9.2217 9.2503 9.2999 9.4065 9.5368 9.6143 9.7229 9.7738 9.8678 9.9901 10.0323 10.2385 10.3059 10.3777 10.4933 10.5343 10.6455 10.7646 10.8711 10.8881 10.9700 11.1194 11.2932 11.3328 11.4100 11.4356 11.4973 11.5264 11.6533 11.7613 11.8811 11.9535 12.0258 12.0313 12.0843 12.2217 12.3502 12.3585 12.4049 12.4570 12.6861 12.7676 12.8327 12.8859 12.9813 12.9929 13.1663 13.2233 13.2381 13.3611 13.4897 13.5590 13.5899 13.6679 13.7341 13.8237 13.9364 13.9891 14.0437 14.1420 14.1862 14.3295 14.3895 14.4627 14.4991 14.6308 14.7019 14.7543 14.8892 14.9094 14.9200 15.0177 15.1523 15.1684 15.2370 15.3384 15.4829 15.5778 15.6793 15.7692 15.8780 15.9168 16.0874 16.0962 16.2575 16.3516 16.5041 16.6807 16.7290 16.7778 16.9189 16.9643 17.0910 17.1867 17.2596 17.3300 17.3661 17.5579 17.6975 17.7621 17.8822 17.9093 17.9411 18.1160 18.2155 18.3149 18.3987 18.5161 18.5373 18.7445 18.9825 19.0050 19.1926 19.2415 19.3217 19.4646 19.6430 19.6698 19.9038 19.9130 20.0601 20.1076 20.2352 20.3654 20.4432 20.6100 20.7678 20.8268 20.8990 21.0132 21.1155 21.2561 21.3327 21.4760 21.5873 21.7082 21.8069 21.9270 22.0940 22.1618 22.2121 22.2633 22.3885 22.4873 22.6655 22.7255 22.7569 23.0045 23.0796 23.2015 23.2486 23.3230 23.5881 23.6264 23.7822 23.8683 23.9221 23.9483 24.0610 24.2613 24.3328 24.5730 24.6140 24.8023 24.8197 25.0266 25.0823 25.1639 25.2652 25.3116 25.4763 25.6002 25.7636 25.8567 25.9799 26.1653 26.2041 26.3715 26.4159 26.6757 26.7581 26.8042 26.9652 27.0306 27.1246 27.2279 27.4145 27.4537 27.6225 27.7104 27.8325 27.9288 28.1105 28.2543 28.3844 28.4993 28.5375 28.6769 28.7664 28.8405 28.8962 29.1374 29.2654 29.3799 29.4228 29.5893 29.6418 29.6715 29.8932 29.9385 30.0643 30.1060 30.2172 30.3896 30.4316 30.5252 30.6654 30.7617 30.8744 30.9453 31.1167 31.2332 31.3977 31.5980 31.7488 31.8861 32.0111 32.0960 32.1910 32.2642 32.4757 32.5156 32.6437 32.7056 32.8488 32.9087 33.0804 33.2172 33.4129 33.4772 33.7219 33.8354 33.9298 34.0117 34.1912 34.2689 34.3866 34.4547 34.5990 34.8666 34.9797 35.1010 35.2423 35.3556 35.4102 35.5085 35.7054 35.7680 35.8142 35.9598 36.0210 36.1293 36.2102 36.4255 36.6523 36.7963 36.9125 36.9971 37.0424 37.3699 37.5389 37.6291 37.8429 38.0390 38.0949 38.2037 38.3285 38.5081 38.6624 38.7215 38.8004 38.9621 38.9936 39.0389 39.1788 39.3013 39.4507 39.5606 39.6464 39.7587 39.9854 40.1093 40.2956 40.3804 40.5911 40.7048 40.8763 40.9164 41.0410 41.3257 41.3487 41.4561 41.5417 41.7420 41.8087 41.8527 42.1824 42.2184 42.4171 42.4865 42.5314 42.6515 42.7169 42.8996 43.0386 43.1632 43.2609 43.3144 43.5082 43.5969 43.6961 43.9026 43.9484 44.0938 44.2534 44.3777 44.5226 44.6332 44.7441 44.8578 45.0940 45.1146 45.3064 45.4193 45.5029 45.6876 45.8085 45.8567 46.1134 46.2330 46.2974 46.3743 46.4770 46.6914 46.8092 46.8803 47.0725 47.1098 47.4019 47.4913 47.7077 47.7330 47.8320 47.9477 48.0769 48.2698 48.5475 48.7234 48.9667 49.0531 49.1950 49.3717 49.5589 49.6557 49.8890 50.0275 50.1137 50.3515 50.4375 50.6755 50.7347 51.0223 51.0584 51.1721 51.2321 51.4193 51.6453 51.8067 51.8878 51.9962 52.1714 52.2864 52.3877 52.5087 52.5182 52.8237 52.9637 53.2636 53.3954 53.5232 53.6592 53.9729 54.0942 54.2177 54.3782 54.6949 54.7910 54.9069 55.1158 55.1834 55.3843 55.7498 55.8218 55.9409 56.1188 56.4029 56.5083 56.6822 56.8080 56.9557 57.1456 57.2857 57.4194 57.5804 57.6321 57.7422 57.9611 57.9978 58.1228 58.2399 58.3942 58.5499 58.5960 58.8460 58.9653 59.0712 59.1367 59.3285 59.3924 59.4732 59.6567 59.7886 59.8486 60.0634 60.1446 60.2636 60.4329 60.4990 60.6700 60.8296 60.9610 61.1924 61.4991 61.6544 62.0095 62.0519 62.1437 62.3386 62.6628 62.7233 62.8551 63.0005 63.0128 63.1699 63.3003 63.5188 63.6457 63.7630 63.8735 64.0470 64.2759 64.4028 64.5227 64.6084 64.7863 64.9504 65.0972 65.2232 65.3867 65.5528 65.8684 66.0351 66.1159 66.2679 66.3275 66.5776 66.6174 66.8278 66.9048 66.9635 67.1455 67.2417 67.4068 67.7082 67.7862 67.9101 68.2650 68.5106 68.6539 68.8384 68.9013 69.3260 69.6168 69.7628 70.1118 70.2871 70.4229 70.6675 70.9602 71.0769 71.1205 71.3454 71.3901 71.5773 71.8858 71.9831 72.0499 72.3806 72.5343 72.7055 72.9518 73.0767 73.1816 73.6215 73.9065 74.0735 74.2797 74.3988 74.6051 74.7697 74.9087 75.1939 75.2482 75.4194 75.5948 75.7963 75.9320 76.0196 76.1194 76.3439 76.4575 76.5865 76.6996 76.8715 77.3388 77.4785 77.5810 77.6657 77.8585 77.9029 78.0288 78.1629 78.3884 78.6083 78.6316 78.7106 78.8144 78.9599 79.2406 79.3697 79.5422 79.7448 79.9347 80.0233 80.0596 80.2371 80.2977 80.4661 80.5780 80.8242 80.9420 81.0298 81.0482 81.1232 81.1590 81.2637 81.4883 81.5819 81.6822 81.7957 81.8786 81.9419 82.0765 82.1912 82.2757 82.3698 82.4430 82.6369 82.7479 82.8341 82.9655 83.0435 83.0972 83.2023 83.4855 83.6546 83.7594 83.8445 83.9420 84.0913 84.1406 84.2658 84.4388 84.5016 84.5278 84.7872 84.8235 84.8562 85.1208 85.2344 85.3724 85.5565 85.7474 85.7795 85.9290 86.0078 86.1292 86.1616 86.2504 86.3055 86.5152 86.6076 86.6720 87.0210 87.1030 87.1675 87.2844 87.4526 87.4735 87.5063 87.6325 87.7966 87.8933 88.0017 88.0880 88.1298 88.2594 88.4327 88.6161 88.7108 88.8605 88.9112 89.0172 89.0925 89.1399 89.1723 89.2996 89.3935 89.4458 89.5112 89.7102 89.7464 90.0031 90.1172 90.2537 90.4139 90.5123 90.5435 90.6640 90.8212 90.9059 90.9629 90.9946 91.0755 91.2706 91.4169 91.5722 91.6412 91.8242 91.9442 91.9994 92.0883 92.1818 92.3274 92.5568 92.5879 92.7848 92.8744 93.3323 93.4466 93.5704 93.6882 93.7663 93.9029 94.0129 94.2463 94.4503 94.5988 94.6509 94.8045 94.9266 95.0365 95.0972 95.2272 95.3253 95.4015 95.5745 95.8183 95.9290 96.0218 96.2385 96.2560 96.2884 96.6432 96.8824 96.9255 97.0118 97.1971 97.3115 97.3727 97.4272 97.6153 97.6926 97.8772 98.1244 98.1692 98.2927 98.3607 98.4727 98.5084 98.5830 98.6795 98.7514 98.8861 99.1386 99.2545 99.3366 99.3974 99.6078 99.8898 99.9528 100.0712 100.2061 100.3747 100.7248 100.8269 100.9646 101.1438 101.1833 101.2505 101.3655 101.5374 101.6848 101.8974 101.9286 102.0058 102.1715 102.3244 102.3831 102.5202 102.7058 102.7159 102.8678 103.0469 103.1376 103.2694 103.4562 103.6680 103.8824 104.0647 104.2629 104.3050 104.4316 104.5087 104.7105 104.8558 105.0256 105.0768 105.1695 105.2742 105.4930 105.6067 105.7816 105.9075 106.1024 106.2920 106.3685 106.5408 106.6267 106.8273 106.9282 107.0995 107.2162 107.2942 107.4951 107.5365 107.7711 107.7775 108.1562 108.3446 108.4768 108.7201 108.7996 108.8947 109.0962 109.2129 109.4231 109.4991 109.5285 109.6648 110.0118 110.1984 110.2082 110.2366 110.4683 110.6519 110.8719 110.8928 110.9673 111.1657 111.2088 111.4881 111.5480 111.7782 111.9236 111.9536 112.0285 112.2245 112.4166 112.5038 112.5807 112.6982 112.9028 113.0284 113.2204 113.3229 113.4557 113.5743 113.7311 113.7885 114.0401 114.2505 114.3209 114.4287 114.7146 114.7408 114.8307 115.0128 115.1088 115.2250 115.2985 115.5110 115.7848 115.8403 115.8977 116.0656 116.2503 116.4981 116.6228 116.8222 116.9849 117.1400 117.1652 117.3039 117.6151 117.7001 117.7488 117.8185 118.0535 118.1674 118.2155 118.3145 118.4352 118.4948 118.5850 118.6901 118.9162 119.0598 119.2062 119.2392 119.6246 119.7455 119.8074 119.9034 120.0745 120.1276 120.3070 120.6296 120.8044 121.0009 121.0645 121.1344 121.6253 121.7178 121.8120 122.1886 122.2573 122.5790 122.7614 122.9648 123.4311 123.5498 123.6604 123.9600 124.1806 124.3070 124.5617 124.6820 124.8496 125.1422 125.4022 125.6872 126.0302 126.1807 126.3059 126.4040 126.4995 126.7058 126.8794 127.3272 127.4951 127.9359 127.9770 128.2355 128.4082 128.6537 128.8808 129.2504 129.7914 129.9105 130.0582 130.3621 130.4109 130.6086 130.9872 131.0279 131.2248 131.4267 131.7616 131.8894 132.2762 132.5168 132.6186 132.7468 132.9731 133.1329 133.3363 133.6241 133.8186 134.0606 134.2047 134.4141 134.5251 134.5888 134.8929 134.9806 135.1500 135.4193 135.5397 135.6587 135.9036 136.0246 136.2508 136.5971 136.6185 137.2281 137.2750 137.6672 137.7279 137.8143 138.0079 138.0810 138.3215 138.4363 139.0042 139.3073 139.6850 140.1405 140.2428 140.5619 140.7251 141.1588 141.3180 141.5592 141.6914 142.1069 142.4199 142.5130 142.6909 143.0108 143.1746 143.4617 143.7276 143.8202 143.9826 144.1899 144.4672 145.0600 145.2042 145.2820 145.4734 145.7300 145.9119 146.0438 146.2175 146.4440 146.8103 147.1707 147.4750 147.5682 147.7220 147.8927 148.2111 148.3921 148.6682 148.7384 148.8891 149.1098 149.1330 149.2335 149.4049 149.7358 149.7984 150.1721 150.2843 150.4231 150.6112 150.7301 150.8653 151.1302 151.1809 151.4233 151.7504 151.9491 152.3283 152.7120 152.7692 153.1451 153.2630 153.4404 153.6393 153.9175 154.3355 154.4609 154.9140 155.2570 155.5802 155.8641 155.9006 156.1350 156.3234 156.5517 156.6689 156.8837 157.1715 157.8419 158.1539 158.3368 158.5231 158.7130 159.0890 159.2410 159.5778 159.7646 159.8974 160.4148 160.5349 161.4193 161.9918 162.6968 162.9399 163.4979 164.1599 164.1995 164.7148 166.0917 166.8521 167.1622 167.4918 167.9333 168.6554 169.4389 171.7648 172.0172 172.2722 172.6956 174.2628 176.7869 177.9665 178.3822 178.7178 179.2738 180.6317 181.1901 181.6935 184.3546 185.3310 185.7599 187.1384 187.2498 187.9266 188.4628 188.5332 188.6658 188.8944 188.9581 189.0095 189.0993 189.1595 189.2856 189.3479 189.4143 189.4645 189.9004 190.3085 191.8546 191.9221 192.3887 192.5317 192.6487 193.8164 194.0873 194.1667 194.9837 195.1046 195.2614 195.8387 196.6213 196.7055 197.3158 199.3771 199.7662 202.3625 202.6604 203.3500 203.6345 204.1031 205.4723 207.1304 209.7965 209.8746 210.8845 213.4519 214.8208 221.2424 221.4039 222.7043 223.0146 223.2845 223.4957 227.1944 227.3288 228.7720 229.0228 229.0742 229.3298 229.3347 229.6162 233.3501 233.7274 235.6590 236.0437 239.1803 240.8182 241.5215 241.7925 244.5297 245.8014 247.3362 247.3542 247.4580 247.5451 251.0688 251.3264 294.6424 294.6853 297.0788 297.9752 311.8325 312.8005 609.6833 620.2012 622.5492 624.0880 625.4743 629.2070 630.8874 631.8007 633.3057 634.3124 635.9884 636.1411 636.8219 637.5978 640.3576 640.9491 643.6647 644.2615 644.4123 646.7163 648.1879 649.2252 659.5773 714.0704 716.1002 881.1253 894.7731 903.0689 1199.8161 1202.1268 1208.5388 1215.5150 1561.4749 1562.6535 1563.2990 1564.2029 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Cl Cl F F F F O 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 H H H H H H H H H H H H H H H H H H H -0.058459 -0.056204 -0.171023 -0.173518 -0.174818 -0.186716 -0.245585 -0.297578 -0.542480 -0.541159 -0.127880 -0.189603 0.036824 0.254596 -0.070754 0.198209 -0.021072 0.474276 -0.078122 0.160370 -0.173249 -0.159411 -0.007878 -0.122544 0.058031 -0.062601 -0.166141 0.239031 -0.198155 0.388316 0.038999 0.033072 -0.000250 0.192842 -0.261023 -0.261603 0.130703 0.123262 0.120819 0.143260 0.130320 0.102088 0.112674 0.129414 0.149019 0.188834 0.147723 0.108244 0.092023 0.099502 0.109521 0.106499 0.086879 0.102202 0.090271 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 Cl Cl F F F F O 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 H H H H H H H H H H H H H H H H H H H 17.0585 17.0562 9.1710 9.1735 9.1748 9.1867 8.2456 8.2976 8.5425 8.5412 7.1279 7.1896 6.9632 5.7454 6.0708 5.8018 6.0211 5.5257 6.0781 5.8396 6.1732 6.1594 6.0079 6.1225 5.9420 6.0626 6.1661 5.7610 6.1982 5.6117 5.9610 5.9669 6.0003 5.8072 6.2610 6.2616 0.8693 0.8767 0.8792 0.8567 0.8697 0.8979 0.8873 0.8706 0.8510 0.8112 0.8523 0.8918 0.9080 0.9005 0.8905 0.8935 0.9131 0.8978 0.9097 17.0000 17.0000 9.0000 9.0000 9.0000 9.0000 8.0000 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 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 -0.0585 -0.0562 -0.1710 -0.1735 -0.1748 -0.1867 -0.2456 -0.2976 -0.5425 -0.5412 -0.1279 -0.1896 0.0368 0.2546 -0.0708 0.1982 -0.0211 0.4743 -0.0781 0.1604 -0.1732 -0.1594 -0.0079 -0.1225 0.0580 -0.0626 -0.1661 0.2390 -0.1982 0.3883 0.0390 0.0331 -0.0003 0.1928 -0.2610 -0.2616 0.1307 0.1233 0.1208 0.1433 0.1303 0.1021 0.1127 0.1294 0.1490 0.1888 0.1477 0.1082 0.0920 0.0995 0.1095 0.1065 0.0869 0.1022 0.0903 1.2418 1.2458 1.1426 1.1391 1.1387 1.1311 1.9848 1.8800 1.9625 1.9482 2.9823 3.2536 3.1356 3.8781 3.9160 3.8507 3.8346 4.4904 3.8123 3.7792 4.0710 4.0922 3.9760 3.9517 3.5913 3.8542 3.9786 4.2478 4.0323 4.0981 3.8646 3.8758 3.8732 4.1640 3.9376 3.9242 1.0069 1.0202 1.0072 1.0205 1.0410 1.0106 0.9937 1.0356 1.0034 0.9991 1.0203 0.9999 1.0187 1.0038 0.9960 1.0018 1.0093 1.0083 1.0065 1.2418 1.2458 1.1426 1.1391 1.1387 1.1311 1.9848 1.8800 1.9625 1.9482 2.9823 3.2536 3.1356 3.8781 3.9160 3.8507 3.8346 4.4904 3.8123 3.7792 4.0710 4.0922 3.9760 3.9517 3.5913 3.8542 3.9786 4.2478 4.0323 4.0981 3.8646 3.8758 3.8732 4.1640 3.9376 3.9242 1.0069 1.0202 1.0072 1.0205 1.0410 1.0106 0.9937 1.0356 1.0034 0.9991 1.0203 0.9999 1.0187 1.0038 0.9960 1.0018 1.0093 1.0083 1.0065 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.0645 1.0770 1.1366 1.1240 1.1299 1.1468 0.9076 0.9266 0.8350 0.9431 1.8281 1.7519 1.9085 0.9465 1.3125 0.9588 1.3409 0.8915 0.9293 0.9221 0.9643 0.9621 0.9886 0.9882 0.9794 1.4144 1.4049 1.3983 1.3844 0.9499 0.9178 0.9560 1.4300 0.9473 1.4293 0.9419 1.0041 0.9674 1.5006 0.9478 1.3289 1.3987 0.9205 0.9598 1.4940 0.9756 0.9671 1.3683 1.3645 0.9427 0.9818 0.9866 0.9903 0.9959 0.9804 0.9889 0.9909 0.9889 0 30 1 31 2 17 3 17 4 17 5 33 6 10 6 13 7 12 7 22 8 27 9 29 10 15 11 19 11 29 11 45 12 27 12 32 13 14 13 16 13 17 14 15 14 36 14 37 15 18 16 20 16 21 18 23 18 26 19 22 19 27 19 38 20 31 20 39 21 30 21 40 22 41 22 42 23 25 23 43 24 25 24 28 24 29 25 34 26 28 26 44 28 46 30 33 31 33 32 35 32 47 32 48 34 49 34 50 34 51 35 52 35 53 35 54 -0.030127818 -2673.027055545188 104.40468 -101.88641 2.51827 -21.11729 23.17253 2.05524 -6.60247 7.99289 1.39042 3.53538 8.98623