Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 Cl O O O 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 H H 1 2 2 2 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-3.178,-3.2132,1.3312;2.1828,.3861,-.907;3.0219,.7137,1.1283;-2.3599,2.0139,.7792;4.5417,2.8184,-1.0442;2.544,-1.5449,.4122;3.2562,-2.276,-.7438;1.096,-1.9449,.6098;4.6914,-1.7809,-.8895;3.238,-3.7791,-.4963;2.6251,-.0424,.2846;.1706,-1.9473,-.4322;.6658,-2.3262,1.876;2.1404,1.7859,-1.1268;-1.1468,-2.3236,-.2179;-.6464,-2.7104,2.1075;1.1213,2.4946,-.2601;-1.5434,-2.709,1.0536;-.1322,1.9053,-.1369;1.3843,3.7147,.3452;-1.1243,2.5544,.5838;3.4874,2.3629,-1.0387;.3827,4.3473,1.0689;-.8734,3.7789,1.1893;-2.9852,1.2923,-.2008;-3.7909,.2436,.2189;-2.8885,1.6149,-1.5495;-4.5067,-.4864,-.7186;-3.5956,.8636,-2.4768;-4.4074,-.1866,-2.0698;3.082,-1.7843,1.3335;2.7232,-2.0767,-1.6779;4.7533,-.7218,-1.1482;5.2562,-1.9314,.0332;5.2045,-2.3279,-1.6819;3.7527,-4.0329,.4335;3.7456,-4.3039,-1.3072;2.2247,-4.1773,-.4353;.4642,-1.6635,-1.4345;1.3658,-2.3327,2.7024;1.8389,1.8818,-2.1737;-1.8499,-2.3219,-1.0403;-.9576,-3.0119,3.0986;-.3378,.9486,-.6012;2.3563,4.1834,.2622;.5846,5.299,1.5424;-1.6549,4.2756,1.7505;-3.8611,.0058,1.2725;-2.2767,2.443,-1.8838;-5.1371,-1.3007,-.3877;-3.5153,1.1126,-3.527;-4.9605,-.7634,-2.7992; 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 1714 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 220 Dim 1249 ENuc 3055.4136073242 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 5.791e-06 Time for diagonalization 0.281 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.289 sec Total time needed 0.576 sec 17 8 8 8 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 1 1 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-3.178,-3.2132,1.3312;2.1828,.3861,-.907;3.0219,.7137,1.1283;-2.3599,2.0139,.7792;4.5417,2.8184,-1.0442;2.544,-1.5449,.4122;3.2562,-2.276,-.7438;1.096,-1.9449,.6098;4.6914,-1.7809,-.8895;3.238,-3.7791,-.4963;2.6251,-.0424,.2846;.1706,-1.9473,-.4322;.6658,-2.3262,1.876;2.1404,1.7859,-1.1268;-1.1468,-2.3236,-.2179;-.6464,-2.7104,2.1075;1.1213,2.4946,-.2601;-1.5434,-2.709,1.0536;-.1322,1.9053,-.1369;1.3843,3.7147,.3452;-1.1243,2.5544,.5838;3.4874,2.3629,-1.0387;.3827,4.3473,1.0689;-.8734,3.7789,1.1893;-2.9852,1.2923,-.2008;-3.7909,.2436,.2189;-2.8885,1.6149,-1.5495;-4.5067,-.4864,-.7186;-3.5956,.8636,-2.4768;-4.4074,-.1866,-2.0698;3.082,-1.7843,1.3335;2.7232,-2.0767,-1.6779;4.7533,-.7218,-1.1482;5.2562,-1.9314,.0332;5.2045,-2.3279,-1.6819;3.7527,-4.0329,.4335;3.7456,-4.3039,-1.3072;2.2247,-4.1773,-.4353;.4642,-1.6635,-1.4345;1.3658,-2.3327,2.7024;1.8389,1.8818,-2.1737;-1.8499,-2.3219,-1.0403;-.9576,-3.0119,3.0986;-.3378,.9486,-.6012;2.3563,4.1834,.2622;.5846,5.299,1.5424;-1.6549,4.2756,1.7505;-3.8611,.0058,1.2725;-2.2767,2.443,-1.8838;-5.1371,-1.3007,-.3877;-3.5153,1.1126,-3.527;-4.9605,-.7634,-2.7992; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 cpcm smd true smdsolvent "1-OCTANOL" 397.7253999999997 AuxInfo=1/0/N:9,10,30,28,29,23,20,26,27,24,12,13,15,16,19,22,7,8,17,18,25,21,14,6,11,1,5,3,4,2/E:(1,2)(4,5)(8,9)(11,12)(13,14)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.2,18.3,19.3,20.3,21.3,22.3,25.3,27.1,28.1/rA:52nClOO1ON1CCC3CCC3C3C3CC3C3C3C3C3C3C3C2C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s7;s7;s2s3s6;s8;s8;s2;s12;s13;s14;s1s15s16;s17;s17;s4s19;s5s14;s20;s21s23;s4;s25;s25;s26;s27;s28s29;s6;s7;s9;s9;s9;s10;s10;s10;s12;s13;s14;s15;s16;s19;s20;s23;s24;s26;s27;s28;s29;s30;/rC:-3.178,-3.2132,1.3312;2.1828,.3861,-.907;3.0219,.7137,1.1283;-2.3599,2.0139,.7792;4.5417,2.8184,-1.0442;2.544,-1.5449,.4122;3.2562,-2.276,-.7438;1.096,-1.9449,.6098;4.6914,-1.7809,-.8895;3.238,-3.7791,-.4963;2.6251,-.0424,.2846;.1706,-1.9473,-.4322;.6658,-2.3262,1.876;2.1404,1.7859,-1.1268;-1.1468,-2.3236,-.2179;-.6464,-2.7104,2.1075;1.1213,2.4946,-.2601;-1.5434,-2.709,1.0536;-.1322,1.9053,-.1369;1.3843,3.7147,.3452;-1.1243,2.5544,.5838;3.4874,2.3629,-1.0387;.3827,4.3473,1.0689;-.8734,3.7789,1.1893;-2.9852,1.2923,-.2008;-3.7909,.2436,.2189;-2.8885,1.6149,-1.5495;-4.5067,-.4864,-.7186;-3.5956,.8636,-2.4768;-4.4074,-.1866,-2.0698;3.082,-1.7843,1.3335;2.7232,-2.0767,-1.6779;4.7533,-.7218,-1.1482;5.2562,-1.9314,.0332;5.2045,-2.3279,-1.6819;3.7527,-4.0329,.4335;3.7456,-4.3039,-1.3072;2.2247,-4.1773,-.4353;.4642,-1.6635,-1.4345;1.3658,-2.3327,2.7024;1.8389,1.8818,-2.1737;-1.8499,-2.3219,-1.0403;-.9576,-3.0119,3.0986;-.3378,.9486,-.6012;2.3563,4.1834,.2622;.5846,5.299,1.5424;-1.6549,4.2756,1.7505;-3.8611,.0058,1.2725;-2.2767,2.443,-1.8838;-5.1371,-1.3007,-.3877;-3.5153,1.1126,-3.527;-4.9605,-.7634,-2.7992; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 1.6280 1.8900 1.8500 1.2000 Solvent: 1-OCTANOL Soln 1.4295 Soln25 1.4279 Sola 0.3700 Solb 0.4800 Solg 39.0100 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3029 GEPOL Volume 2961.6023 GEPOL Surface-area 1609.3911 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.5s) Overall time for CPCM initialization 0.5s -1706.65513206 3055.41360732 -4762.06873939 -8405.30260959 3643.23387020 -0.03399310 -3407.19994759 1700.54481553 2.00359315 110.000107410904 110.000107410904 220.000214821809 -142.764638191914 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.2733 -525.3069 -524.6784 -523.5387 -392.8997 -283.7067 -282.9126 -281.7155 -281.5751 -281.4952 -281.2612 -280.6164 -280.3234 -280.3021 -280.0492 -280.0275 -279.9808 -279.9771 -279.9700 -279.9554 -279.9207 -279.8785 -279.8472 -279.8413 -279.8031 -279.7834 -279.7130 -279.6347 -279.1569 -279.1205 -260.5455 -199.3780 -199.1479 -199.1381 -34.3037 -33.0346 -31.6627 -28.4448 -27.7200 -27.2042 -26.7037 -26.5519 -25.6587 -25.1421 -24.1620 -23.8896 -23.8248 -23.6776 -23.4949 -22.9922 -22.1390 -21.6375 -20.7477 -20.2458 -20.0091 -19.8071 -19.6317 -19.2157 -19.0639 -18.6384 -18.1401 -17.5180 -17.1447 -16.9476 -16.6176 -16.2086 -16.1812 -16.0264 -15.9000 -15.8128 -15.6827 -15.4201 -15.1684 -14.8562 -14.8169 -14.6554 -14.4147 -14.3174 -14.2132 -14.0431 -13.8740 -13.8181 -13.7870 -13.4584 -13.3576 -13.2246 -12.9810 -12.9471 -12.7818 -12.6973 -12.6218 -12.4960 -12.4454 -12.2587 -12.2269 -12.0393 -11.9655 -11.8588 -11.7583 -11.6126 -11.4732 -11.3313 -11.1875 -10.6526 -9.6946 -9.6137 -9.4463 -9.3922 -8.9481 -8.4675 1.0042 1.1997 1.3446 1.4854 1.6795 2.0629 2.1977 2.5281 2.7960 3.0403 3.2903 3.5849 3.7539 3.8940 4.0850 4.1891 4.2798 4.3803 4.6045 4.6937 4.8631 5.0092 5.0185 5.1766 5.2343 5.3084 5.3680 5.6202 5.6851 5.7901 5.8641 5.9789 6.0992 6.1328 6.3256 6.4948 6.5979 6.6541 6.6702 6.7662 6.8431 6.9518 7.0264 7.2027 7.4039 7.4673 7.6026 7.6788 7.7297 7.7583 7.9346 8.0491 8.1726 8.2548 8.2863 8.3693 8.4973 8.5740 8.7165 8.7594 8.8608 9.0059 9.0457 9.1321 9.1915 9.2681 9.3494 9.4426 9.5502 9.5788 9.7028 9.8432 9.9878 10.0048 10.0820 10.2181 10.3750 10.4323 10.7048 10.7242 10.7882 10.8018 10.9703 11.0731 11.1935 11.2613 11.3781 11.4751 11.5286 11.7212 11.7817 11.8140 11.8731 11.9159 12.0072 12.0864 12.1785 12.2268 12.3397 12.5449 12.5976 12.6818 12.7211 12.7907 12.9435 13.0109 13.0677 13.2559 13.3157 13.3958 13.5109 13.5417 13.6023 13.6843 13.7244 13.7448 13.9263 13.9834 14.1159 14.2113 14.3136 14.4183 14.4494 14.5676 14.6834 14.7076 14.8044 14.8652 14.9564 14.9665 15.0649 15.2376 15.2732 15.3922 15.4519 15.5121 15.5479 15.6793 15.7304 15.7950 15.9448 16.0425 16.0561 16.1167 16.2116 16.3755 16.4688 16.5536 16.5825 16.6514 16.7568 17.0258 17.0703 17.2322 17.3561 17.4308 17.5210 17.8065 17.9092 17.9880 18.1210 18.2314 18.2964 18.4518 18.5704 18.5925 18.7308 18.8127 18.9783 19.2241 19.2460 19.4562 19.5177 19.7056 19.7470 19.9763 20.0980 20.3262 20.4066 20.5762 20.6564 20.7633 20.8746 20.9641 21.0129 21.1190 21.2473 21.3185 21.4970 21.5443 21.5770 21.7527 21.8905 21.9613 22.0593 22.1428 22.3694 22.5257 22.6445 22.7167 22.7941 23.0312 23.1550 23.2526 23.3417 23.3946 23.4746 23.6495 23.8166 23.9701 24.0344 24.1384 24.3039 24.4035 24.4628 24.6144 24.7922 24.8614 24.9101 25.0074 25.1888 25.3405 25.5007 25.7194 25.8049 25.8432 25.9784 26.0413 26.2257 26.3479 26.5551 26.7003 26.7403 26.9245 27.0973 27.1304 27.2095 27.3293 27.5288 27.7610 27.8622 27.9824 28.2047 28.3592 28.4947 28.6278 28.7619 28.8448 28.9030 29.1383 29.3419 29.4146 29.5381 29.6637 29.7232 29.8618 29.9437 30.0423 30.1406 30.2761 30.3897 30.4801 30.5134 30.7909 30.9273 31.1182 31.2502 31.3829 31.4076 31.5099 31.7140 31.8683 32.0238 32.0723 32.2839 32.3527 32.4986 32.6277 32.7953 32.8463 32.9683 33.1001 33.1636 33.4218 33.4730 33.5448 33.6535 33.9655 34.0462 34.2458 34.3422 34.4428 34.6306 34.6826 34.7562 34.9008 34.9885 35.3855 35.5514 35.7161 35.8192 35.9655 36.0564 36.1005 36.2563 36.3724 36.3852 36.5479 36.6713 36.7216 36.8157 36.9941 37.1161 37.1283 37.3739 37.5331 37.6131 37.7931 37.7988 37.9217 38.0311 38.0436 38.0950 38.4094 38.5488 38.6419 38.7634 38.8044 38.9790 39.1493 39.2931 39.3590 39.3849 39.4225 39.6739 39.6896 39.7582 39.8794 39.9072 40.0675 40.0725 40.2669 40.3564 40.5018 40.6304 40.6971 40.8022 40.9226 41.0780 41.2262 41.3925 41.4847 41.7154 41.7954 41.8382 41.9826 42.1469 42.4559 42.4839 42.6363 42.7313 42.9992 43.0681 43.1572 43.2468 43.5081 43.6094 43.9091 43.9164 44.0170 44.1076 44.1811 44.3907 44.5272 44.6855 44.6915 44.8612 44.9372 45.0616 45.2213 45.3352 45.3773 45.5254 45.6813 45.8872 45.9258 46.1362 46.2472 46.2629 46.3758 46.6201 46.7346 46.9980 47.1500 47.2723 47.4080 47.5155 47.6097 47.7784 47.8566 48.0426 48.2297 48.3592 48.4348 48.5808 48.7582 48.9886 49.0511 49.2002 49.2939 49.5016 49.6284 49.8143 50.0274 50.1483 50.3265 50.6488 50.7033 50.7476 50.9823 51.2265 51.4051 51.6359 51.6658 51.8299 52.0390 52.0999 52.2671 52.3837 52.7647 52.8188 52.8636 52.9739 53.1149 53.2462 53.5430 53.7652 53.8847 54.1604 54.3209 54.4268 54.4760 55.0651 55.0961 55.3703 55.7037 55.8507 55.9810 56.0200 56.3504 56.4082 56.5228 56.8742 57.0656 57.3778 57.4424 57.6081 57.7849 57.9046 57.9793 58.0630 58.3428 58.4251 58.7637 58.8865 59.0084 59.3076 59.4422 59.4704 59.7127 59.9253 60.1533 60.3161 60.5345 60.5674 60.7645 60.9674 61.2630 61.7063 61.8628 61.9594 62.2780 62.5049 62.7898 63.0778 63.2542 63.3509 63.6595 63.8736 63.9719 64.2506 64.2701 64.5129 64.6718 64.8421 65.0243 65.1567 65.3147 65.4136 65.5748 65.8570 66.0286 66.2218 66.3978 66.4744 66.6036 66.6599 66.9437 67.2393 67.3937 67.6187 67.7357 67.8074 67.9446 68.2705 68.4332 68.5407 68.7626 68.9587 69.1513 69.3118 69.4590 69.5844 69.7392 70.0088 70.6356 70.7964 71.3122 71.4620 71.5940 72.0254 72.1061 72.3509 72.7958 73.0853 73.3703 73.5964 73.7525 73.9883 74.1599 74.4639 74.5949 74.8681 74.9564 75.0973 75.4102 75.5003 75.6151 75.8689 75.9894 76.1267 76.4274 76.6069 76.7140 76.7314 76.8721 76.9992 77.1053 77.2995 77.5779 77.6748 77.7978 77.8328 77.9779 78.0176 78.4943 78.5501 78.6693 78.7671 79.0273 79.0481 79.1489 79.4227 79.5160 79.5354 79.6519 79.6647 79.7094 79.8856 79.9753 80.0557 80.0869 80.2862 80.3346 80.5432 80.6933 80.8109 80.9985 81.1235 81.2281 81.3564 81.7025 81.8169 81.9051 82.0646 82.2388 82.3116 82.4148 82.5267 82.6197 82.8061 82.9970 83.0113 83.1991 83.2928 83.3441 83.5384 83.6351 83.9330 83.9883 84.1862 84.3625 84.4242 84.6609 84.8032 84.9848 85.1186 85.1599 85.2281 85.3081 85.3613 85.4848 85.5589 85.6167 85.7555 85.8018 85.9773 86.0262 86.1283 86.2082 86.2625 86.3606 86.4264 86.4821 86.7989 86.8979 86.9474 87.1381 87.2351 87.3114 87.6019 87.6663 87.8803 87.9372 88.0122 88.0520 88.2096 88.3738 88.5819 88.6881 88.9314 88.9873 89.0130 89.1440 89.2472 89.3020 89.4674 89.6307 89.6838 89.7214 89.8363 89.9161 90.1265 90.2791 90.3279 90.3916 90.4698 90.5277 90.7247 90.8242 91.0058 91.1161 91.1856 91.4314 91.5917 91.7227 92.0204 92.0510 92.1811 92.3454 92.3998 92.6919 92.7023 92.8343 92.8906 92.9739 93.0246 93.1982 93.2474 93.3714 93.4056 93.5136 93.6856 93.7102 93.8262 94.0152 94.1165 94.2332 94.3043 94.5583 94.6096 94.7372 94.8102 94.9331 95.0041 95.1358 95.2609 95.4570 95.5136 95.5478 95.7606 95.8227 95.8611 96.0933 96.2323 96.2632 96.5785 96.6285 96.7016 96.8319 97.0590 97.2029 97.3343 97.4015 97.4658 97.6525 97.7740 97.9570 97.9935 98.0621 98.1358 98.4103 98.4867 98.6593 98.7283 98.7813 98.8578 98.9951 99.1215 99.2806 99.4651 99.6717 99.7205 99.8421 100.0265 100.1109 100.3653 100.4789 100.5861 100.6199 100.9746 101.1877 101.2545 101.2984 101.6176 101.8247 101.9530 102.1904 102.3508 102.3999 102.8256 102.9571 103.0004 103.0766 103.2726 103.5390 103.8383 104.1877 104.2967 104.4238 104.5686 104.5753 104.7684 105.0755 105.1288 105.2925 105.3733 105.5335 105.6141 105.7387 105.7905 105.9185 106.0673 106.1315 106.1796 106.2610 106.3832 106.5381 106.6889 106.7873 106.8958 107.0948 107.2278 107.3082 107.3661 107.5990 107.7295 107.7908 107.9202 108.1861 108.3349 108.5216 108.5959 108.6613 108.8192 108.9852 109.1661 109.2412 109.4794 109.5949 109.7170 109.9691 110.0191 110.2292 110.3276 110.5476 110.6864 110.8792 111.0030 111.1019 111.1803 111.3217 111.4181 111.6791 111.7929 112.0385 112.1180 112.4065 112.6247 112.7960 112.8835 113.1204 113.3297 113.5673 113.7974 113.9801 114.0634 114.2609 114.3374 114.4546 114.6762 114.8998 115.0721 115.1027 115.1212 115.4510 115.5906 115.6540 115.7523 115.9921 116.0532 116.1957 116.3196 116.4793 116.5993 116.7540 117.0050 117.0803 117.2781 117.4216 117.4660 117.7500 117.8343 118.0349 118.0651 118.2466 118.2900 118.3527 118.4996 118.5324 118.5886 118.7731 118.8421 118.9713 119.1536 119.3251 119.6020 119.6248 119.7582 119.8664 119.9135 120.0308 120.2543 120.3818 120.4514 120.5788 120.6990 120.8294 121.0488 121.0608 121.3381 121.4423 121.5824 121.7252 121.8842 122.1233 122.1844 122.2903 122.4130 122.7490 123.0868 123.4056 123.5510 123.7270 123.8836 124.0854 124.6113 124.8072 125.2357 125.5753 125.8549 125.9580 126.2354 126.3851 126.5951 126.6725 126.8859 126.9950 127.2083 127.2964 127.6383 127.7828 127.9941 128.1835 128.4284 128.6810 128.8562 128.9893 129.3165 129.4542 129.5108 129.8281 129.9656 130.0212 130.4554 130.6988 130.8818 130.9734 131.0244 131.2334 131.2480 131.6101 131.7332 131.8011 131.8987 132.1556 132.1720 132.3967 132.5247 132.6730 132.9234 133.0395 133.1896 133.4164 133.5907 133.9563 134.0139 134.6310 134.8163 134.9000 135.1155 135.5507 135.6789 135.8354 136.0506 136.2092 136.5048 136.6908 137.0960 137.5210 138.0646 138.1292 138.4156 138.4674 138.6631 138.7849 139.0104 139.2731 139.4791 139.5915 139.7240 140.1230 140.2166 140.7206 141.0304 141.3644 141.5249 142.2921 142.3286 142.7005 143.1369 143.5884 143.7130 144.2364 144.4432 144.5460 144.6600 144.8511 145.2123 145.3058 145.7541 145.8433 146.0361 146.2634 146.4403 146.5852 146.8103 146.8916 147.4489 147.5982 147.8803 148.1175 148.2609 148.3579 148.4350 148.5786 148.7561 148.7943 149.0288 149.1885 149.5633 150.2161 150.5236 150.5607 151.0620 151.1515 151.7587 152.1939 152.2943 152.5358 152.6976 153.0205 153.4492 153.8107 154.2461 154.5620 154.7369 155.1928 155.2648 155.4191 156.1031 156.2958 156.5237 156.9620 157.2026 157.2480 157.4398 157.7696 157.9928 158.2297 158.7601 159.0618 159.1445 159.5849 159.9370 160.4014 160.6263 160.8652 161.4469 161.5570 162.0346 162.5027 162.5851 163.2041 163.5193 163.6108 164.3260 165.6819 166.5851 168.5211 170.0076 171.1997 171.6998 171.8351 172.4721 173.0854 173.8027 174.7424 175.3712 177.9804 178.2877 178.9935 180.5381 181.1717 182.5357 185.5619 186.5785 187.4311 187.6918 188.2966 189.4028 192.0297 192.3905 194.1131 195.2596 196.3949 199.0890 202.5554 205.1250 206.8067 208.5855 222.6676 223.3451 223.9162 227.6871 229.9738 295.9776 298.5184 313.1059 617.4921 620.2578 621.0109 626.6735 630.9591 631.9939 633.1666 633.5973 634.4383 634.8416 635.2214 635.6176 636.3222 636.5692 636.9833 637.2827 638.2321 640.1262 642.8432 643.8316 646.4402 648.7833 656.1910 657.4010 658.3424 714.3643 878.2515 1200.9836 1212.6744 1215.1355 -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 Cl O O O 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 H H -0.096638 -0.279793 -0.405509 -0.325483 -0.077502 0.187065 0.040929 -0.014063 -0.288579 -0.302817 0.317063 -0.231022 -0.185621 0.474831 -0.177999 -0.145282 -0.015518 0.123961 -0.270511 -0.211900 0.303743 -0.252447 -0.095698 -0.250942 0.306331 -0.248730 -0.195012 -0.135978 -0.145893 -0.177178 0.095034 0.055398 0.088378 0.094825 0.093700 0.090335 0.097865 0.099098 0.141763 0.139421 0.142886 0.146670 0.141726 0.149946 0.133396 0.159417 0.146051 0.141030 0.153866 0.149451 0.159115 0.156825 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 Cl O O O 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 H H 17.0966 8.2798 8.4055 8.3255 7.0775 5.8129 5.9591 6.0141 6.2886 6.3028 5.6829 6.2310 6.1856 5.5252 6.1780 6.1453 6.0155 5.8760 6.2705 6.2119 5.6963 6.2524 6.0957 6.2509 5.6937 6.2487 6.1950 6.1360 6.1459 6.1772 0.9050 0.9446 0.9116 0.9052 0.9063 0.9097 0.9021 0.9009 0.8582 0.8606 0.8571 0.8533 0.8583 0.8501 0.8666 0.8406 0.8539 0.8590 0.8461 0.8505 0.8409 0.8432 17.0000 8.0000 8.0000 8.0000 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 1.0000 1.0000 -0.0966 -0.2798 -0.4055 -0.3255 -0.0775 0.1871 0.0409 -0.0141 -0.2886 -0.3028 0.3171 -0.2310 -0.1856 0.4748 -0.1780 -0.1453 -0.0155 0.1240 -0.2705 -0.2119 0.3037 -0.2524 -0.0957 -0.2509 0.3063 -0.2487 -0.1950 -0.1360 -0.1459 -0.1772 0.0950 0.0554 0.0884 0.0948 0.0937 0.0903 0.0979 0.0991 0.1418 0.1394 0.1429 0.1467 0.1417 0.1499 0.1334 0.1594 0.1461 0.1410 0.1539 0.1495 0.1591 0.1568 1.2116 2.1132 2.1012 2.0919 3.0998 3.6109 3.8289 3.5377 3.9460 3.9325 4.2173 3.9369 4.0316 3.8273 3.9588 3.9972 3.7567 3.8022 3.9704 3.9526 3.7181 4.1000 3.9037 4.0247 3.6763 3.9245 3.8897 3.8475 3.8945 3.9016 1.0318 1.0216 1.0100 1.0035 1.0043 1.0026 1.0048 1.0011 1.0178 1.0040 0.9899 1.0051 1.0066 1.0107 1.0176 0.9893 1.0064 1.0158 0.9975 1.0008 0.9899 0.9909 1.2116 2.1132 2.1012 2.0919 3.0998 3.6109 3.8289 3.5377 3.9460 3.9325 4.2173 3.9369 4.0316 3.8273 3.9588 3.9972 3.7567 3.8022 3.9704 3.9526 3.7181 4.1000 3.9037 4.0247 3.6763 3.9245 3.8897 3.8475 3.8945 3.9016 1.0318 1.0216 1.0100 1.0035 1.0043 1.0026 1.0048 1.0011 1.0178 1.0040 0.9899 1.0051 1.0066 1.0107 1.0176 0.9893 1.0064 1.0158 0.9975 1.0008 0.9899 0.9909 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.9986 1.1049 0.8842 1.9619 0.9674 0.9477 3.0424 0.9348 0.7735 0.9580 1.0130 0.9354 0.9276 0.9984 1.2936 1.3633 0.9842 0.9914 0.9976 0.9875 0.9987 0.9899 1.4495 1.0007 1.4690 0.9870 0.9835 0.9458 0.9321 1.3496 0.9879 1.3809 0.9834 1.3522 1.3664 1.3888 0.9506 1.4275 0.9749 1.3752 1.4402 0.9801 0.9846 1.3645 1.3425 1.3849 0.9919 1.4175 0.9773 1.4056 0.9919 1.4154 0.9765 0.9855 0 17 1 10 1 13 2 10 3 20 3 24 4 21 5 6 5 7 5 10 5 30 6 8 6 9 6 31 7 11 7 12 8 32 8 33 8 34 9 35 9 36 9 37 11 14 11 38 12 15 12 39 13 16 13 21 13 40 14 17 14 41 15 17 15 42 16 18 16 19 18 20 18 43 19 22 19 44 20 23 22 23 22 45 23 46 24 25 24 26 25 27 25 47 26 28 26 48 27 29 27 49 28 29 28 50 29 51 -0.033012161 -1706.688144224662 16.37454 -17.46104 -1.08650 -7.33274 6.28004 -1.05270 -9.41150 8.08316 -1.32834 2.01324 5.11725