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:-2.0561,-3.3864,3.2768;1.9891,.5618,-.3705;3.8184,-.2967,.5667;-2.4155,2.9773,-.7702;2.1892,1.8155,2.78;2.2808,-1.7684,-.5859;1.8757,-1.7406,-2.0707;1.1707,-2.1763,.3631;3.0542,-1.3092,-2.9375;1.3782,-3.1152,-2.4992;2.8132,-.4489,-.0776;1.4338,-3.094,1.3741;-.1094,-1.634,.2736;2.2713,1.8467,.1635;.4502,-3.474,2.2758;-1.1035,-2.0014,1.1656;1.2193,2.7908,-.3606;-.814,-2.9208,2.1618;-.1194,2.4239,-.2852;1.5938,4.0047,-.9154;-1.0813,3.2719,-.8113;2.2294,1.8031,1.6303;.6136,4.8589,-1.404;-.7213,4.4939,-1.3677;-2.8313,1.6702,-.8773;-2.3145,.813,-1.8414;-3.8379,1.2528,-.0198;-2.8139,-.4782,-1.9336;-4.3385,-.0369,-.1342;-3.8259,-.9087,-1.0849;3.1005,-2.4837,-.4759;1.0611,-1.0246,-2.2117;2.7724,-1.3076,-3.991;3.4073,-.3036,-2.7006;3.8967,-1.9945,-2.8217;2.1464,-3.877,-2.3484;1.1194,-3.1112,-3.5587;.4888,-3.4234,-1.9489;2.4222,-3.5279,1.4618;-.3578,-.9229,-.5038;3.268,2.1887,-.1309;.6732,-4.1928,3.0525;-2.093,-1.5727,1.077;-.4062,1.4861,.1758;2.6388,4.2804,-.9711;.8949,5.8086,-1.8383;-1.4837,5.1495,-1.7684;-1.5333,1.1412,-2.5156;-4.2305,1.9333,.7251;-2.4077,-1.149,-2.6795;-5.1259,-.3616,.5332;-4.2112,-1.9164,-1.1639; 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 3039.6677011051 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 5.327e-06 Time for diagonalization 0.425 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 16.097 sec Total time needed 16.534 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:-2.0561,-3.3864,3.2768;1.9891,.5618,-.3705;3.8184,-.2967,.5667;-2.4155,2.9773,-.7702;2.1892,1.8155,2.78;2.2808,-1.7684,-.5859;1.8757,-1.7406,-2.0707;1.1707,-2.1763,.3631;3.0542,-1.3092,-2.9375;1.3782,-3.1152,-2.4992;2.8132,-.4489,-.0776;1.4338,-3.094,1.3741;-.1094,-1.634,.2736;2.2713,1.8467,.1635;.4502,-3.474,2.2758;-1.1035,-2.0014,1.1656;1.2193,2.7908,-.3606;-.814,-2.9208,2.1618;-.1194,2.4239,-.2852;1.5938,4.0047,-.9154;-1.0813,3.2719,-.8113;2.2294,1.8031,1.6303;.6136,4.8589,-1.404;-.7213,4.4939,-1.3677;-2.8313,1.6702,-.8773;-2.3145,.813,-1.8414;-3.8379,1.2528,-.0198;-2.8139,-.4782,-1.9336;-4.3385,-.0369,-.1342;-3.8259,-.9087,-1.0849;3.1005,-2.4837,-.4759;1.0611,-1.0246,-2.2117;2.7724,-1.3076,-3.991;3.4073,-.3036,-2.7006;3.8967,-1.9945,-2.8217;2.1464,-3.877,-2.3484;1.1194,-3.1112,-3.5587;.4888,-3.4234,-1.9489;2.4222,-3.5279,1.4618;-.3578,-.9229,-.5038;3.268,2.1887,-.1309;.6732,-4.1928,3.0525;-2.093,-1.5727,1.077;-.4062,1.4861,.1758;2.6388,4.2804,-.9711;.8949,5.8086,-1.8383;-1.4837,5.1495,-1.7684;-1.5333,1.1412,-2.5156;-4.2305,1.9333,.7251;-2.4077,-1.149,-2.6795;-5.1259,-.3616,.5332;-4.2112,-1.9164,-1.1639; 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" 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:-2.0561,-3.3864,3.2768;1.9891,.5618,-.3705;3.8184,-.2967,.5667;-2.4155,2.9773,-.7702;2.1892,1.8155,2.78;2.2808,-1.7684,-.5859;1.8757,-1.7406,-2.0707;1.1707,-2.1763,.3631;3.0542,-1.3092,-2.9375;1.3782,-3.1152,-2.4992;2.8132,-.4489,-.0776;1.4338,-3.094,1.3741;-.1094,-1.634,.2736;2.2713,1.8467,.1635;.4502,-3.474,2.2758;-1.1035,-2.0014,1.1656;1.2193,2.7908,-.3606;-.814,-2.9208,2.1618;-.1194,2.4239,-.2852;1.5938,4.0047,-.9154;-1.0813,3.2719,-.8113;2.2294,1.8031,1.6303;.6136,4.8589,-1.404;-.7213,4.4939,-1.3677;-2.8313,1.6702,-.8773;-2.3145,.813,-1.8414;-3.8379,1.2528,-.0198;-2.8139,-.4782,-1.9336;-4.3385,-.0369,-.1342;-3.8259,-.9087,-1.0849;3.1005,-2.4837,-.4759;1.0611,-1.0246,-2.2117;2.7724,-1.3076,-3.991;3.4073,-.3036,-2.7006;3.8967,-1.9945,-2.8217;2.1464,-3.877,-2.3484;1.1194,-3.1112,-3.5587;.4888,-3.4234,-1.9489;2.4222,-3.5279,1.4618;-.3578,-.9229,-.5038;3.268,2.1887,-.1309;.6732,-4.1928,3.0525;-2.093,-1.5727,1.077;-.4062,1.4861,.1758;2.6388,4.2804,-.9711;.8949,5.8086,-1.8383;-1.4837,5.1495,-1.7684;-1.5333,1.1412,-2.5156;-4.2305,1.9333,.7251;-2.4077,-1.149,-2.6795;-5.1259,-.3616,.5332;-4.2112,-1.9164,-1.1639; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl O N C H 2.3800 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 3047 GEPOL Volume 2950.3177 GEPOL Surface-area 1645.8477 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.6s -1706.64340863 3039.66770111 -4746.31110974 -8373.29190953 3626.98079979 -0.04150485 -3407.17348879 1700.53008016 2.00359495 110.000299674612 110.000299674612 220.000599349224 -142.759511398868 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 -2765.2752 -525.3035 -524.6778 -523.5692 -392.9382 -283.7592 -282.8710 -281.7258 -281.5539 -281.4771 -281.2980 -280.5640 -280.2998 -280.2719 -280.0075 -279.9997 -279.9910 -279.9718 -279.9323 -279.9124 -279.8976 -279.8866 -279.8592 -279.8357 -279.8209 -279.7948 -279.7524 -279.6539 -279.1096 -279.0652 -260.5489 -199.3802 -199.1503 -199.1428 -34.2980 -32.9698 -31.6758 -28.4565 -27.7088 -27.2296 -26.7050 -26.5579 -25.6557 -25.1773 -24.1406 -23.8623 -23.7858 -23.6794 -23.4390 -22.9651 -22.1051 -21.5915 -20.6554 -20.1537 -19.9944 -19.9401 -19.6387 -19.1944 -19.0157 -18.5498 -18.0186 -17.8267 -17.1202 -16.9999 -16.5533 -16.5165 -16.1738 -15.9940 -15.8121 -15.8020 -15.5861 -15.2382 -15.0660 -14.8369 -14.7704 -14.6228 -14.4026 -14.3002 -14.1954 -14.0466 -13.9322 -13.8159 -13.6921 -13.4758 -13.4044 -13.2251 -13.0608 -12.9180 -12.7436 -12.6496 -12.6239 -12.5208 -12.3874 -12.2719 -12.1963 -11.9867 -11.8906 -11.8314 -11.7758 -11.6674 -11.4404 -11.2903 -11.1908 -10.6790 -9.6995 -9.6434 -9.4888 -9.3888 -8.9497 -8.5312 0.9285 1.0773 1.3469 1.4393 1.6852 1.9822 2.3074 2.5462 2.9229 3.0828 3.2114 3.5319 3.7218 3.9013 4.1845 4.2531 4.3206 4.4525 4.6632 4.7885 4.8224 4.9853 5.1382 5.2045 5.3408 5.3859 5.5081 5.7103 5.7651 5.8429 5.9346 6.0456 6.1575 6.1726 6.3915 6.4339 6.5138 6.6113 6.6513 6.7727 6.8170 6.9489 7.0691 7.3878 7.4464 7.4596 7.6173 7.7005 7.7829 7.8403 7.9058 8.0118 8.1145 8.2410 8.2611 8.3725 8.4321 8.5471 8.6073 8.6973 8.7707 8.9123 9.0067 9.1386 9.2082 9.2224 9.3700 9.3954 9.6480 9.6973 9.7870 9.8416 9.9161 10.0715 10.2372 10.3487 10.4603 10.5505 10.6173 10.7032 10.8612 11.0457 11.0949 11.1438 11.2577 11.3089 11.3609 11.4570 11.5381 11.6230 11.6584 11.7075 11.8606 11.8847 11.9762 12.0813 12.1454 12.1904 12.3545 12.4378 12.6535 12.7211 12.8279 12.9020 12.9823 13.1037 13.1550 13.2137 13.2372 13.4071 13.5136 13.5353 13.6329 13.6890 13.8045 13.8963 13.9199 14.0037 14.0536 14.2520 14.3002 14.3726 14.4378 14.5095 14.5353 14.6291 14.6971 14.8187 14.9808 15.0356 15.0919 15.2619 15.2903 15.3775 15.4904 15.5389 15.6691 15.8046 15.8395 15.9134 16.0396 16.1217 16.1261 16.1861 16.3438 16.4809 16.5656 16.6029 16.6144 16.6662 17.0280 17.1108 17.1974 17.3009 17.3654 17.5287 17.6290 17.6802 17.7186 17.8858 18.1140 18.1673 18.3325 18.4810 18.5385 18.6545 18.7121 19.0040 19.0978 19.2009 19.3161 19.3362 19.6676 19.8245 19.9423 19.9727 20.0687 20.2188 20.3604 20.4064 20.5581 20.6265 20.7844 20.8631 21.0782 21.2109 21.3009 21.3518 21.4744 21.5387 21.7095 21.7346 21.8684 21.8858 22.0705 22.1728 22.2951 22.5415 22.6766 22.8370 22.9151 22.9289 23.3059 23.3863 23.4427 23.6185 23.6418 23.6631 23.8243 23.8703 24.1141 24.2911 24.4287 24.4681 24.5442 24.5970 24.7880 24.9353 25.1154 25.2699 25.3356 25.4189 25.5043 25.6092 25.8272 26.0222 26.0954 26.1750 26.2402 26.4358 26.6115 26.6397 26.8306 27.0382 27.1119 27.1561 27.2381 27.4532 27.5222 27.6874 27.7518 27.8080 27.9469 28.1304 28.3284 28.5393 28.7298 28.8242 28.8967 29.0079 29.0952 29.2974 29.4014 29.5836 29.6628 29.7447 29.8946 30.1044 30.1894 30.2860 30.3821 30.4346 30.6185 30.6743 30.7780 30.8539 31.0165 31.1385 31.3435 31.5561 31.7237 31.9714 32.0345 32.1518 32.2181 32.4058 32.5386 32.6435 32.7937 32.9009 32.9695 33.2081 33.3630 33.4827 33.5331 33.5547 33.9320 33.9867 34.0724 34.1354 34.3308 34.4214 34.5942 34.6873 34.8471 34.8549 34.9699 35.0507 35.2175 35.2585 35.6393 35.8140 35.8977 35.9927 36.0843 36.2026 36.4123 36.4948 36.6058 36.7481 37.0054 37.0704 37.2119 37.2974 37.3921 37.5094 37.7258 37.7382 37.8038 37.9153 37.9749 38.0783 38.3098 38.4265 38.4944 38.5795 38.6517 38.6977 38.8331 38.9077 39.0101 39.2184 39.3325 39.3994 39.6089 39.6602 39.7162 39.7872 39.9750 40.1496 40.2662 40.3304 40.4014 40.5304 40.6706 40.6819 40.9695 41.0927 41.1583 41.2955 41.4135 41.6815 41.8252 42.0054 42.1476 42.2732 42.3799 42.4466 42.6212 42.8262 43.0852 43.1162 43.1647 43.2896 43.4282 43.5605 43.6235 43.6735 43.8525 43.9524 44.1798 44.2877 44.4151 44.5377 44.6001 44.7374 44.9369 45.1089 45.3438 45.5086 45.5358 45.6609 45.8209 45.8701 45.9792 46.2471 46.3285 46.5078 46.6507 46.7650 46.8859 46.9364 47.0709 47.2129 47.3435 47.6015 47.8048 47.9260 48.0231 48.1271 48.3177 48.3337 48.4422 48.5769 48.7504 48.8815 48.9666 49.0706 49.2667 49.4750 49.6730 49.6951 49.9488 49.9851 50.2525 50.3054 50.4675 50.6981 50.8395 50.9860 51.0620 51.2943 51.5553 51.7229 51.7780 51.8792 52.0738 52.2323 52.4728 52.5706 52.7934 52.8500 53.1053 53.2458 53.3323 53.4941 53.7261 53.9264 54.0343 54.2284 54.2509 54.4479 54.9445 55.2174 55.5559 55.7601 55.9968 56.0404 56.2876 56.4205 56.5688 56.8234 57.0419 57.1492 57.2545 57.3914 57.5163 57.7347 57.9552 58.0968 58.4001 58.5190 58.7904 58.9944 59.1336 59.1479 59.2974 59.3545 59.6101 59.6993 59.7749 59.9456 60.0479 60.2003 60.2851 60.5623 60.8134 61.2901 61.6299 61.7651 62.1155 62.2426 62.4956 62.7179 62.9589 63.1438 63.2078 63.4456 63.5443 63.6350 63.9534 64.1410 64.4540 64.7342 64.8578 65.0416 65.1433 65.2181 65.4829 65.5097 65.6708 65.7667 66.1020 66.1800 66.2803 66.4900 66.7064 66.7467 66.8792 67.0570 67.1322 67.5397 67.6212 67.7886 68.0396 68.1640 68.4778 68.6848 68.8461 68.9095 69.3162 69.4365 69.5911 69.6926 70.0905 70.2056 70.8127 71.1753 71.4595 71.8945 72.1397 72.3517 72.6472 72.7659 72.8311 73.1602 73.4919 73.5430 73.8439 74.0722 74.3759 74.6387 74.7619 75.0221 75.1845 75.2250 75.3174 75.7927 75.9964 76.2364 76.3566 76.4681 76.6062 76.6708 76.7509 76.8372 77.0724 77.0901 77.3710 77.4536 77.5421 77.7162 77.9098 78.0135 78.1370 78.4966 78.5295 78.7540 78.9049 78.9983 79.0760 79.1797 79.2221 79.3855 79.4596 79.5541 79.6358 79.7697 79.9597 79.9939 80.1257 80.1816 80.2348 80.4247 80.4791 80.5389 80.7178 80.9588 81.1694 81.3608 81.4111 81.7367 81.7967 82.0914 82.1156 82.2386 82.2736 82.4450 82.5886 82.6270 82.8416 82.8730 83.0549 83.1310 83.3407 83.4429 83.5812 83.6568 83.7299 83.9580 83.9727 84.1984 84.3781 84.4892 84.6303 84.8202 84.9334 85.1002 85.1390 85.2337 85.4049 85.4626 85.5402 85.6650 85.7952 85.8814 85.9362 85.9708 86.0611 86.1085 86.3165 86.4380 86.5358 86.6451 86.6987 86.8116 86.9260 87.0779 87.2907 87.3033 87.4894 87.5728 87.6618 87.7871 87.9669 88.1035 88.2672 88.3651 88.5557 88.6509 88.7401 88.9091 89.0556 89.1338 89.2250 89.3010 89.4067 89.5698 89.6966 89.8052 89.8650 90.0543 90.1362 90.2301 90.2927 90.4099 90.5049 90.7227 90.7433 90.9740 91.1360 91.1677 91.2622 91.3703 91.4965 91.6290 91.7836 91.8726 92.0146 92.1381 92.4271 92.4812 92.6228 92.7442 92.8588 92.9878 93.0502 93.2683 93.4035 93.4754 93.5409 93.5629 93.6353 93.8113 93.8264 94.0126 94.0460 94.1377 94.3486 94.4064 94.5189 94.6162 94.6982 94.8632 95.0143 95.0865 95.1095 95.2842 95.4098 95.5942 95.6171 95.7544 95.9727 96.0739 96.2112 96.3889 96.5074 96.6001 96.8063 96.8957 96.9261 97.0507 97.0864 97.3685 97.6477 97.6800 97.8166 97.9164 98.0162 98.1182 98.2037 98.3978 98.5234 98.6812 98.7242 98.8301 98.9832 99.1292 99.3589 99.3652 99.4044 99.6370 99.7825 99.9242 99.9832 100.1588 100.1891 100.3312 100.3568 100.4972 100.9166 101.1555 101.5741 101.7910 101.8225 102.0390 102.1232 102.2670 102.4520 102.5285 102.6583 102.6890 102.9895 103.1242 103.4281 103.6561 103.8042 104.1577 104.1960 104.3801 104.5204 104.6484 104.7507 104.8545 105.0461 105.3052 105.3694 105.4190 105.6795 105.7744 105.8386 105.9437 106.1606 106.2108 106.2934 106.4178 106.4746 106.6312 106.7412 106.8541 106.9819 107.1243 107.2447 107.2784 107.3340 107.5393 107.7895 107.9824 108.0427 108.2630 108.4807 108.5451 108.6560 108.8630 108.9801 109.0292 109.2678 109.3983 109.5560 109.8234 109.8736 109.9476 110.1508 110.2543 110.2988 110.4164 110.6752 110.7899 110.8393 111.0246 111.1571 111.3094 111.4630 111.6758 111.7907 112.0737 112.3207 112.3990 112.6469 112.7588 112.9475 113.1188 113.3616 113.5099 113.8650 113.8862 114.2055 114.4004 114.5047 114.5785 114.7079 114.9033 115.1255 115.1526 115.3457 115.4839 115.6798 115.7455 115.8852 116.0341 116.1887 116.2938 116.4561 116.5849 116.7245 116.9003 117.1916 117.2611 117.3769 117.4778 117.5837 117.6075 117.8561 117.9172 117.9618 118.2157 118.3020 118.3930 118.5438 118.6098 118.7452 118.9290 118.9455 118.9953 119.2026 119.3290 119.5492 119.6694 119.8443 119.8771 120.0375 120.2834 120.3415 120.4300 120.5561 120.7159 120.8796 120.9614 121.0911 121.1984 121.2158 121.3999 121.5245 121.5819 121.8038 122.1037 122.1390 122.2868 122.7120 122.9060 123.0119 123.2414 123.5307 123.9011 124.2682 124.3716 124.4924 124.9938 125.4298 125.5928 125.9048 126.1226 126.2997 126.5292 126.6178 126.7294 126.9317 127.0568 127.1335 127.4026 127.6610 128.0246 128.0946 128.4011 128.6245 128.6505 128.9157 129.1131 129.2646 129.4337 129.7026 129.8832 130.2082 130.3000 130.4569 130.8356 130.9395 131.0552 131.2441 131.3077 131.4190 131.6748 131.7677 131.8566 131.9389 132.2621 132.3264 132.4675 132.6287 132.7985 132.9119 133.1200 133.2357 133.4755 133.5678 133.7869 134.0902 134.3207 134.6407 134.9123 135.1125 135.2813 135.6906 135.7256 135.8449 136.2434 136.5459 136.6311 137.0221 137.1607 137.4875 138.0105 138.2345 138.4420 138.4873 138.7902 138.8997 139.2913 139.6819 139.9470 140.1259 140.4382 140.6168 141.1085 141.1764 141.5085 141.8945 142.1277 142.6457 142.8237 143.1356 143.2278 143.9466 144.1565 144.4872 144.5280 144.5905 144.8927 145.0025 145.2015 145.4540 145.6136 145.9235 146.1000 146.2358 146.6721 146.6978 146.9207 147.5141 147.6306 147.8504 148.1676 148.3082 148.4030 148.4767 148.8095 149.0058 149.1712 149.2746 149.6526 150.0535 150.3209 150.5186 150.6426 151.0027 151.4119 151.8101 152.2684 152.6212 152.8077 152.9901 152.9944 153.2563 153.9641 154.3993 154.7947 155.2789 155.3623 155.7122 155.8236 155.9388 156.1424 156.5877 156.8749 157.1700 157.3628 157.7077 157.7617 158.0985 158.4071 158.9141 159.1003 159.2245 159.7840 160.3163 160.3561 160.5699 160.7726 161.3739 161.8320 161.9810 162.3912 162.6102 163.1642 163.3243 163.5454 164.4172 166.0470 167.2495 168.6714 169.4599 170.1516 171.6499 172.0305 172.4085 172.8539 173.5487 174.1433 174.9218 176.8817 177.4057 178.9886 179.3555 180.6724 181.7299 185.4948 186.7532 187.2648 187.4920 188.4850 189.5391 192.0496 192.0951 193.9832 195.5182 195.9523 198.4232 201.9906 206.2511 206.4352 207.8628 221.6756 223.1746 223.5539 227.4787 229.7516 294.9584 297.7010 312.7046 617.0628 619.7780 622.7515 626.6170 630.8014 631.9185 632.0710 633.6422 634.0689 634.7690 635.0361 635.6729 636.5234 636.7939 637.1526 637.3773 637.8791 640.4240 642.9919 644.3276 646.5983 648.9103 656.2911 657.4108 658.3268 712.7847 877.4119 1199.7934 1213.4234 1214.9214 -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 -0.095190 -0.267496 -0.440204 -0.338535 -0.096153 0.159958 0.037973 0.000487 -0.296827 -0.302318 0.345894 -0.185191 -0.231885 0.397766 -0.153005 -0.109121 0.013704 0.075507 -0.204976 -0.211517 0.252674 -0.224896 -0.109493 -0.237812 0.294712 -0.189308 -0.250208 -0.137961 -0.104177 -0.215709 0.101152 0.049590 0.095781 0.090897 0.095602 0.094289 0.097453 0.099272 0.142385 0.122294 0.139618 0.143334 0.140061 0.159060 0.149554 0.162519 0.151139 0.158663 0.148186 0.162918 0.159982 0.159562 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 17.0952 8.2675 8.4402 8.3385 7.0962 5.8400 5.9620 5.9995 6.2968 6.3023 5.6541 6.1852 6.2319 5.6022 6.1530 6.1091 5.9863 5.9245 6.2050 6.2115 5.7473 6.2249 6.1095 6.2378 5.7053 6.1893 6.2502 6.1380 6.1042 6.2157 0.8988 0.9504 0.9042 0.9091 0.9044 0.9057 0.9025 0.9007 0.8576 0.8777 0.8604 0.8567 0.8599 0.8409 0.8504 0.8375 0.8489 0.8413 0.8518 0.8371 0.8400 0.8404 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 -0.0952 -0.2675 -0.4402 -0.3385 -0.0962 0.1600 0.0380 0.0005 -0.2968 -0.3023 0.3459 -0.1852 -0.2319 0.3978 -0.1530 -0.1091 0.0137 0.0755 -0.2050 -0.2115 0.2527 -0.2249 -0.1095 -0.2378 0.2947 -0.1893 -0.2502 -0.1380 -0.1042 -0.2157 0.1012 0.0496 0.0958 0.0909 0.0956 0.0943 0.0975 0.0993 0.1424 0.1223 0.1396 0.1433 0.1401 0.1591 0.1496 0.1625 0.1511 0.1587 0.1482 0.1629 0.1600 0.1596 1.2150 2.1521 2.0619 2.0746 3.1105 3.6155 3.8479 3.5706 3.9380 3.9262 4.2134 3.9962 4.0073 3.7539 3.9750 3.9528 3.7135 3.8878 3.9378 3.9607 3.7788 4.0314 3.8891 4.0064 3.6610 3.8682 4.0084 3.7945 3.8232 3.8573 1.0293 1.0196 1.0037 1.0104 1.0027 1.0026 1.0049 1.0006 1.0046 1.0101 1.0173 1.0061 1.0154 1.0063 1.0014 0.9879 1.0045 0.9966 1.0064 0.9898 0.9882 0.9911 1.2150 2.1521 2.0619 2.0746 3.1105 3.6155 3.8479 3.5706 3.9380 3.9262 4.2134 3.9962 4.0073 3.7539 3.9750 3.9528 3.7135 3.8878 3.9378 3.9607 3.7788 4.0314 3.8891 4.0064 3.6610 3.8682 4.0084 3.7945 3.8232 3.8573 1.0293 1.0196 1.0037 1.0104 1.0027 1.0026 1.0049 1.0006 1.0046 1.0101 1.0173 1.0061 1.0154 1.0063 1.0014 0.9879 1.0045 0.9966 1.0064 0.9898 0.9882 0.9911 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.0056 1.1520 0.9033 1.9290 0.9614 0.9146 3.0519 0.9414 0.7765 0.9574 1.0056 0.9350 0.9282 1.0044 1.3521 1.3296 0.9973 0.9871 0.9919 0.9887 0.9989 0.9887 1.4543 0.9871 1.4624 0.9766 0.9045 0.9112 0.9723 1.3646 0.9871 1.3997 0.9523 1.3385 1.3803 1.4122 0.9407 1.4213 0.9826 1.3702 1.4421 0.9814 0.9823 1.3388 1.3980 1.3702 0.9822 1.4139 0.9873 1.3707 0.9938 1.3736 0.9883 1.0006 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 -0.032534429 -1706.675943061204 8.49823 -8.63937 -0.14115 -3.89595 3.84796 -0.04799 -27.63188 24.32874 -3.30314 3.30650 8.40447