Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 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 S O O O O O O O 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 H 1 2 3 3 3 3 3 3 3 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 5 419.7277999999997 AuxInfo=1/0/N:29,16,12,11,18,17,27,28,13,14,23,10,24,22,20,19,25,15,26,21,1,6,5,7,8,9,4,3,2/E:(25,26)/CRV:7.3,8.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:52nClSOOO1OO1O1O1CCCCCC3CCCC3C3C3C3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s2;s2;s3;s10;s11;s3s12;s4s10;;;s16;s16;s5s15s17;s6s15s18;s7s15;;s4s22;s21;s2s22;s1s22s24;s24;s25s27;s2;s10;s11;s11;s12;s12;s13;s13;s14;s14;s16;s16;s17;s17;s18;s18;s23;s23;s27;s28;s29;s29;s29;s6;/rC:1.2565,.3677,-1.501;-3.8305,-.9538,.3058;-1.4696,4.1023,-1.6724;-2.1023,1.7611,.0915;1.6557,-.4941,1.8439;4.7023,-2.8405,-.8398;2.2638,-3.188,-1.1898;-4.3788,-.0295,-.6816;-4.4458,-2.2776,.3965;-2.0969,4.169,-.395;-.9756,4.4343,.6268;.3033,4.1579,-.1587;-.1231,4.528,-1.5672;-2.8944,2.9053,-.1417;3.0812,-1.6249,.358;5.1676,.1276,1.1823;3.9587,.0142,2.0915;5.5572,-1.2433,.6599;2.79,-.6822,1.441;4.3976,-1.9315,.0335;2.0319,-2.2792,-.3873;-1.2255,-.2996,-.5952;-1.7004,1.0537,-1.0579;.5988,-1.8817,-.2283;-2.0725,-1.2263,.0319;.1099,-.6754,-.7174;-.2744,-2.7788,.3551;-1.6112,-2.4516,.4871;-3.9076,-.2221,1.921;-2.8195,4.9968,-.3872;-1.0035,5.4768,.9494;-1.0678,3.8177,1.5215;.5828,3.1035,-.1028;1.153,4.7468,.1872;-.0439,5.6124,-1.723;.4609,4.0361,-2.3478;-3.4931,3.0598,.7603;-3.5977,2.7358,-.9667;4.9443,.7904,.3429;6.0052,.5693,1.7216;3.6233,.9915,2.4418;4.2199,-.5646,2.9857;5.9161,-1.8766,1.4803;6.3697,-1.1879,-.067;-2.521,.9434,-1.7712;-.9002,1.5665,-1.5876;.0865,-3.7291,.7251;-2.2793,-3.1633,.9507;-3.3572,.7136,1.9368;-3.4914,-.9178,2.6478;-4.9606,-.0443,2.1442;3.8477,-3.2428,-1.1784; 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 1678 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 232 Dim 1243 ENuc 3397.2932702319 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 3.996e-06 Time for diagonalization 0.527 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.263 sec Total time needed 0.796 sec 17 16 8 8 8 8 8 8 8 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 1 419.7277999999997 AuxInfo=1/0/N:29,16,12,11,18,17,27,28,13,14,23,10,24,22,20,19,25,15,26,21,1,6,5,7,8,9,4,3,2/E:(25,26)/CRV:7.3,8.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:52nClSOOO1OO1O1O1CCCCCC3CCCC3C3C3C3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s2;s2;s3;s10;s11;s3s12;s4s10;;;s16;s16;s5s15s17;s6s15s18;s7s15;;s4s22;s21;s2s22;s1s22s24;s24;s25s27;s2;s10;s11;s11;s12;s12;s13;s13;s14;s14;s16;s16;s17;s17;s18;s18;s23;s23;s27;s28;s29;s29;s29;s6;/rC:1.2565,.3677,-1.501;-3.8305,-.9538,.3058;-1.4696,4.1023,-1.6724;-2.1023,1.7611,.0915;1.6557,-.4941,1.8439;4.7023,-2.8405,-.8398;2.2638,-3.188,-1.1898;-4.3788,-.0295,-.6816;-4.4458,-2.2776,.3965;-2.0969,4.169,-.395;-.9756,4.4343,.6268;.3033,4.1579,-.1587;-.1231,4.528,-1.5672;-2.8944,2.9053,-.1417;3.0812,-1.6249,.358;5.1676,.1276,1.1823;3.9587,.0142,2.0915;5.5572,-1.2433,.6599;2.79,-.6822,1.441;4.3976,-1.9315,.0335;2.0319,-2.2792,-.3873;-1.2255,-.2996,-.5952;-1.7004,1.0537,-1.0579;.5988,-1.8817,-.2283;-2.0725,-1.2263,.0319;.1099,-.6754,-.7174;-.2744,-2.7788,.3551;-1.6112,-2.4516,.4871;-3.9076,-.2221,1.921;-2.8195,4.9968,-.3872;-1.0035,5.4768,.9494;-1.0678,3.8177,1.5215;.5828,3.1035,-.1028;1.153,4.7468,.1872;-.0439,5.6124,-1.723;.4609,4.0361,-2.3478;-3.4931,3.0598,.7603;-3.5977,2.7358,-.9667;4.9443,.7904,.3429;6.0052,.5693,1.7216;3.6233,.9915,2.4418;4.2199,-.5646,2.9857;5.9161,-1.8766,1.4803;6.3697,-1.1879,-.067;-2.521,.9434,-1.7712;-.9002,1.5665,-1.5876;.0865,-3.7291,.7251;-2.2793,-3.1633,.9507;-3.3572,.7136,1.9368;-3.4914,-.9178,2.6478;-4.9606,-.0443,2.1442;3.8477,-3.2428,-1.1784; 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" 419.7277999999997 AuxInfo=1/0/N:29,16,12,11,18,17,27,28,13,14,23,10,24,22,20,19,25,15,26,21,1,6,5,7,8,9,4,3,2/E:(25,26)/CRV:7.3,8.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,23.1,24.1,25.1,26.1/rA:52nClSOOO1OO1O1O1CCCCCC3CCCC3C3C3C3CC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s2;s2;s3;s10;s11;s3s12;s4s10;;;s16;s16;s5s15s17;s6s15s18;s7s15;;s4s22;s21;s2s22;s1s22s24;s24;s25s27;s2;s10;s11;s11;s12;s12;s13;s13;s14;s14;s16;s16;s17;s17;s18;s18;s23;s23;s27;s28;s29;s29;s29;s6;/rC:1.2565,.3677,-1.501;-3.8305,-.9538,.3058;-1.4696,4.1023,-1.6724;-2.1023,1.7611,.0915;1.6557,-.4941,1.8439;4.7023,-2.8405,-.8398;2.2638,-3.188,-1.1898;-4.3788,-.0295,-.6816;-4.4458,-2.2776,.3965;-2.0969,4.169,-.395;-.9756,4.4343,.6268;.3033,4.1579,-.1587;-.1231,4.528,-1.5672;-2.8944,2.9053,-.1417;3.0812,-1.6249,.358;5.1676,.1276,1.1823;3.9587,.0142,2.0915;5.5572,-1.2433,.6599;2.79,-.6822,1.441;4.3976,-1.9315,.0335;2.0319,-2.2792,-.3873;-1.2255,-.2996,-.5952;-1.7004,1.0537,-1.0579;.5988,-1.8817,-.2283;-2.0725,-1.2263,.0319;.1099,-.6754,-.7174;-.2744,-2.7788,.3551;-1.6112,-2.4516,.4871;-3.9076,-.2221,1.921;-2.8195,4.9968,-.3872;-1.0035,5.4768,.9494;-1.0678,3.8177,1.5215;.5828,3.1035,-.1028;1.153,4.7468,.1872;-.0439,5.6124,-1.723;.4609,4.0361,-2.3478;-3.4931,3.0598,.7603;-3.5977,2.7358,-.9667;4.9443,.7904,.3429;6.0052,.5693,1.7216;3.6233,.9915,2.4418;4.2199,-.5646,2.9857;5.9161,-1.8766,1.4803;6.3697,-1.1879,-.067;-2.521,.9434,-1.7712;-.9002,1.5665,-1.5876;.0865,-3.7291,.7251;-2.2793,-3.1633,.9507;-3.3572,.7136,1.9368;-3.4914,-.9178,2.6478;-4.9606,-.0443,2.1442;3.8477,-3.2428,-1.1784; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl S O C H 2.3800 2.4900 1.6280 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 2887 GEPOL Volume 2828.9098 GEPOL Surface-area 1492.9563 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 3.0s) Overall time for CPCM initialization 3.1s -2161.10526670 3397.29327023 -5558.39853694 -9725.79783760 4167.39930066 -0.04714538 -4315.16323264 2154.05796594 2.00327164 116.000057138341 116.000057138341 232.000114276683 -162.932036956294 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.5631 -2425.8201 -524.8707 -523.7677 -523.6333 -523.3230 -523.2932 -523.2445 -522.9590 -282.9245 -282.9022 -282.3309 -281.9930 -281.1124 -281.0008 -280.9913 -280.8259 -280.7736 -280.6609 -280.5600 -280.4267 -280.3208 -280.3082 -280.0176 -280.0089 -279.7436 -279.6944 -279.3503 -279.3123 -260.8387 -223.5542 -199.6756 -199.4380 -199.4280 -167.8624 -167.8398 -167.8333 -33.4959 -33.4155 -32.2025 -31.8096 -31.6860 -31.3247 -30.5026 -28.2629 -26.6589 -26.3783 -25.3596 -24.5691 -24.4352 -24.3061 -23.8637 -23.6885 -23.3741 -22.2937 -21.7714 -20.8867 -20.7389 -19.8280 -19.6410 -19.5565 -19.1053 -18.7496 -18.3970 -18.3551 -17.4783 -17.2115 -16.8923 -16.5513 -16.4939 -16.3937 -16.1120 -15.9852 -15.9096 -15.7448 -15.6194 -15.4945 -15.1335 -15.0959 -14.8931 -14.7718 -14.6390 -14.5883 -14.5297 -14.4096 -14.2550 -14.1846 -13.8879 -13.8641 -13.7607 -13.5871 -13.4165 -13.2157 -12.9709 -12.6153 -12.5537 -12.3151 -12.1804 -12.0964 -12.0484 -11.9443 -11.7853 -11.7295 -11.6362 -11.4188 -11.2635 -11.1793 -11.0804 -10.8623 -10.5765 -10.1870 -9.9285 -9.6354 -9.4830 -9.2363 -9.1341 0.0364 0.5299 0.9196 1.3525 2.6515 3.1343 3.3512 3.7046 3.8125 3.8822 3.9449 4.1602 4.2781 4.3723 4.4160 4.4880 4.5968 4.7148 4.8627 4.9093 5.0072 5.1644 5.2459 5.2612 5.4230 5.4724 5.5464 5.6663 5.6898 5.8748 5.8959 6.0104 6.1832 6.2758 6.2989 6.3879 6.5163 6.6216 6.7007 6.8262 6.8839 6.9578 7.1397 7.1896 7.5053 7.5415 7.6582 7.8193 7.9110 7.9602 8.0468 8.1960 8.2416 8.3379 8.5417 8.5769 8.7160 8.8006 8.8964 8.9602 9.0777 9.2550 9.2947 9.3713 9.4641 9.5154 9.7983 10.0095 10.0219 10.1100 10.1872 10.3228 10.3554 10.5793 10.7166 10.8532 10.9589 11.0685 11.1092 11.1708 11.3044 11.4297 11.4966 11.6174 11.7963 11.8368 11.9344 12.0291 12.1259 12.2216 12.2952 12.4576 12.6093 12.6392 12.7790 12.8090 12.9062 13.0694 13.1223 13.1632 13.3166 13.3331 13.4046 13.4368 13.5392 13.6428 13.7416 13.8112 13.8169 13.9026 13.9806 14.0298 14.1257 14.2044 14.2838 14.3520 14.4133 14.4923 14.5414 14.6518 14.7449 14.7830 14.8713 14.8773 14.9835 15.1046 15.1404 15.2527 15.3082 15.3935 15.5872 15.6671 15.7213 15.8402 15.9277 15.9926 16.0321 16.1542 16.2725 16.5121 16.6277 16.7167 16.8006 16.9106 16.9946 17.1761 17.2496 17.3391 17.4016 17.5578 17.6789 17.7262 17.8296 18.0203 18.1609 18.3998 18.4167 18.5302 18.6327 18.8677 18.9171 18.9770 19.2849 19.4620 19.4760 19.6877 19.7752 19.9508 20.0679 20.1489 20.3018 20.3555 20.5300 20.5756 20.7101 20.8439 21.0020 21.1572 21.3175 21.5911 21.7888 21.8993 22.0500 22.2177 22.3168 22.5147 22.6859 22.7736 22.8150 22.8485 23.0306 23.1168 23.2321 23.4099 23.5134 23.5607 23.6680 23.7945 23.9657 24.0189 24.2174 24.4779 24.5353 24.6052 24.6865 24.7407 24.9139 25.0835 25.1424 25.2739 25.3618 25.4820 25.5572 25.8023 25.8253 26.0118 26.1193 26.1779 26.2510 26.3597 26.4559 26.5487 26.6998 26.8718 27.0620 27.1785 27.3097 27.5560 27.6541 27.6874 27.8278 27.9033 28.1611 28.2001 28.5512 28.6220 28.6781 28.7111 28.7634 29.0852 29.2483 29.2647 29.4214 29.5248 29.6095 29.7717 29.9233 30.0766 30.1393 30.2718 30.5506 30.5874 30.8821 30.9962 31.0962 31.2171 31.2592 31.3977 31.5305 31.6006 31.8177 31.9269 32.0412 32.2259 32.3625 32.4159 32.6213 32.7960 32.9096 33.1301 33.2489 33.3743 33.4299 33.5022 33.6795 33.8126 33.9252 34.0375 34.1985 34.3235 34.5119 34.7049 34.8459 35.0748 35.1187 35.2300 35.3474 35.5494 35.6042 35.7943 35.9982 36.1087 36.1450 36.2168 36.3450 36.5124 36.6097 36.8138 36.9279 36.9950 37.0730 37.1299 37.3075 37.4763 37.5984 37.7504 37.8346 37.9678 38.0481 38.2144 38.3852 38.5352 38.8545 38.9361 39.0988 39.1444 39.4344 39.4656 39.6209 39.7755 39.9077 40.0400 40.1086 40.1248 40.2880 40.5560 40.5746 40.6896 40.8235 40.8777 40.9853 41.1186 41.3107 41.5651 41.6547 41.7421 41.8705 41.9737 42.1478 42.2665 42.4113 42.4967 42.5667 42.7205 42.8231 42.9788 43.0695 43.1536 43.3458 43.4889 43.5000 43.6533 43.7106 44.0710 44.1055 44.3230 44.4347 44.4896 44.6780 44.7080 45.0031 45.1823 45.3069 45.5208 45.6637 45.7386 45.9981 46.0627 46.1466 46.2254 46.3045 46.4546 46.5373 46.7342 46.8271 46.9788 47.1501 47.1886 47.4436 47.8561 47.8967 48.0298 48.2337 48.3412 48.5948 48.6121 48.7382 48.8450 49.0588 49.2769 49.4674 49.4739 49.7070 49.8811 50.0409 50.1898 50.3943 50.5605 50.6284 50.7216 51.1514 51.2490 51.4667 51.9918 52.1532 52.1896 52.7079 52.7650 52.8281 53.0704 53.3845 53.5328 53.6731 53.8048 54.0387 54.2665 54.5568 54.5951 54.8509 54.9463 55.1592 55.4438 55.5564 55.7931 55.9582 56.1606 56.4222 56.5769 56.8004 56.9864 57.2218 57.3917 57.6855 57.8174 57.9513 58.3639 58.3834 58.7086 58.8584 59.0182 59.1622 59.2766 59.4516 59.5306 59.7429 59.8458 60.0322 60.3860 60.4191 60.6152 60.6802 60.9107 61.2474 61.5386 61.5798 61.7514 61.9410 62.1261 62.1728 62.4439 62.4688 62.6539 63.0130 63.1581 63.2503 63.3446 63.5825 63.8574 63.9903 64.1399 64.3054 64.7128 64.7330 65.0388 65.1810 65.4440 65.5066 65.7667 65.8852 66.0421 66.1195 66.2804 66.4974 66.6436 66.8993 67.0625 67.4507 67.7077 67.7822 67.9341 68.2179 68.3261 68.5626 68.8221 68.9695 69.1739 69.3374 69.7471 69.9595 70.2572 70.5000 70.6272 70.8421 70.9761 71.1680 71.5425 71.5917 71.7270 72.0592 72.1863 72.2274 72.4152 72.7244 72.7708 73.0282 73.2265 73.4452 73.6593 73.8285 74.0195 74.0892 74.3462 74.5112 74.6226 74.7030 74.9143 75.1396 75.3606 75.4416 75.8116 75.8308 75.8987 76.0707 76.1776 76.4140 76.4533 76.7015 76.9606 77.0889 77.3239 77.5077 77.7709 77.8460 78.1035 78.1987 78.3816 78.5896 78.7432 78.8441 79.0248 79.0907 79.2011 79.3275 79.5389 79.8272 79.9921 80.3055 80.3382 80.4668 80.4949 80.7058 80.9386 81.0335 81.0865 81.2995 81.4197 81.5555 81.6898 81.7557 81.9376 82.1046 82.1769 82.2265 82.5412 82.5983 82.6917 82.7247 82.8063 82.9408 83.1458 83.2060 83.4792 83.7699 83.9124 83.9721 84.0378 84.2283 84.3398 84.5157 84.7403 84.9575 85.0461 85.1655 85.3079 85.4196 85.4234 85.6666 85.7541 85.9389 86.1315 86.2360 86.3829 86.4298 86.5875 86.7047 86.7778 87.0258 87.0917 87.1961 87.2391 87.4438 87.5396 87.7038 87.8523 87.8854 87.9012 88.0678 88.1565 88.2916 88.4751 88.5613 88.6051 88.7483 88.8769 88.9133 88.9936 89.0461 89.2235 89.2998 89.3529 89.4282 89.7080 89.9355 90.0268 90.1408 90.2242 90.3039 90.3650 90.6187 90.7350 90.9370 91.0363 91.0639 91.1227 91.3423 91.5501 91.6640 91.7126 91.8295 91.9818 92.0859 92.2759 92.3627 92.5299 92.6655 92.8021 92.9292 93.0612 93.1524 93.2472 93.4688 93.5839 93.7865 93.8318 93.8979 94.0672 94.2949 94.3561 94.7073 94.9644 95.1549 95.1799 95.2536 95.4672 95.6387 95.9020 95.9551 96.1255 96.2095 96.2604 96.3052 96.5263 96.7335 96.9176 97.1862 97.2907 97.3891 97.5482 97.6563 97.8684 97.9457 97.9647 98.1591 98.3458 98.4780 98.5751 98.6079 98.7679 98.8349 99.1875 99.3252 99.4081 99.5116 99.5728 99.7494 99.9384 100.0041 100.2954 100.3466 100.4889 100.6321 100.8338 100.8454 101.0293 101.2583 101.2963 101.5879 101.6999 101.9238 102.1024 102.1387 102.3566 102.5112 102.5613 102.6401 102.7527 102.8835 103.0283 103.2945 103.5119 103.5287 103.6206 103.8251 103.9910 104.0966 104.1835 104.2422 104.3812 104.7187 104.8461 104.9417 105.0207 105.0766 105.3196 105.4487 105.8063 105.9939 106.0776 106.3366 106.4052 106.5048 106.8570 107.1205 107.1386 107.3619 107.4370 107.6157 107.7819 108.0365 108.2149 108.2805 108.4223 108.6727 108.7484 108.9781 109.0411 109.2248 109.3433 109.4807 109.6856 109.8845 110.0588 110.1787 110.4946 110.6201 110.6950 110.7493 111.2701 111.3428 111.3787 111.4840 111.7671 111.9150 112.0561 112.1060 112.3402 112.3990 112.6001 112.8589 112.8806 112.9871 113.1386 113.2960 113.5090 113.5902 113.7327 114.0726 114.1425 114.2813 114.3988 114.5720 114.7104 114.8063 115.0200 115.0277 115.2372 115.5223 115.7237 115.9660 116.1280 116.2649 116.3849 116.4763 116.5215 116.7433 116.8332 116.9797 117.1749 117.3344 117.4045 117.7328 117.8520 118.0230 118.1611 118.2557 118.3267 118.5458 118.7011 118.9949 119.0326 119.2120 119.3863 119.4824 119.6164 119.7413 119.8102 119.9032 120.2407 120.3765 120.5596 120.6532 120.8031 120.9933 121.0035 121.2510 121.3279 121.3880 121.8501 121.9076 122.0117 122.2305 122.3048 122.5866 122.6929 123.0788 123.3506 123.4815 123.7446 123.8517 124.0963 124.2813 124.7346 124.9339 125.0562 125.1867 125.5724 125.6517 125.8844 126.1445 126.5794 126.9305 126.9642 127.1008 127.3842 127.4393 127.5393 127.9148 128.0785 128.3491 128.5493 128.5911 128.9817 129.2430 129.5400 129.7513 129.9452 130.0325 130.3164 130.4711 130.6464 130.7651 130.9459 131.0970 131.5631 132.3044 132.6369 132.8898 133.0396 133.0978 133.2809 133.5014 133.6115 134.2331 134.6259 134.7780 135.0676 135.1620 135.2402 135.4859 135.5865 135.8253 135.9763 136.0775 136.5364 136.7658 136.9516 137.5236 137.7558 137.9063 138.2281 138.2890 138.5011 138.5679 138.7920 139.0178 139.6673 139.6752 139.7674 139.8934 140.0496 140.2878 140.4750 140.6951 141.3686 141.5638 142.1548 142.4580 142.5198 142.6376 142.7327 142.8564 143.0356 143.1892 143.2191 143.3779 143.5714 143.7119 143.9576 144.0591 144.1597 144.5861 144.7111 145.0843 145.1962 145.4092 145.4126 145.5484 145.6925 146.0378 146.4396 146.5661 146.9118 147.2628 147.3353 147.4500 147.6829 147.8012 147.9747 148.1039 148.3307 148.5402 148.6610 149.1028 149.2136 149.6045 150.0033 150.2349 150.5125 150.8076 151.3007 151.5531 151.7225 151.8366 151.9825 152.5149 152.7841 152.9778 153.0465 153.1750 153.3597 153.5644 153.7094 153.7879 154.0180 154.1080 154.2353 154.4737 154.6529 154.7800 155.2652 155.3704 155.4509 155.8809 156.3080 156.4061 156.6131 157.1020 157.3223 157.5650 157.8585 158.1216 158.3390 158.4700 159.0437 159.2800 159.3599 159.5808 159.8169 160.3940 160.5855 160.9246 161.1879 162.5051 163.6539 164.4068 164.9470 165.6113 166.2075 167.0557 168.5841 168.7844 170.4697 170.5719 170.7823 171.5491 173.2743 173.6386 174.1085 175.1289 175.1608 175.4017 176.0735 176.7457 177.2948 177.5728 178.1515 179.0194 179.6107 179.8453 181.4907 182.5595 184.3508 184.7394 184.9569 185.4035 186.8008 186.9892 187.2178 188.0119 188.7652 188.8485 189.0044 189.3010 189.5400 189.8057 190.7305 191.3241 191.6469 191.8641 192.3554 195.4961 195.7178 196.1367 196.3023 196.4952 197.1604 197.6743 200.8589 201.0787 201.6238 203.5112 204.6124 206.7663 207.3776 211.7469 211.8047 214.5429 223.7457 225.0783 225.6210 228.8075 230.5118 261.9379 263.7081 274.8480 297.3643 300.8031 314.0151 608.8699 610.8848 623.7648 627.9671 629.5210 631.7178 633.4239 634.9160 635.8513 637.0611 638.4481 639.8618 640.2851 640.5866 641.0946 641.7395 642.5093 643.1547 643.7919 645.8191 653.1709 719.0669 1194.3566 1197.9178 1198.7958 1201.0969 1203.6993 1210.7513 1213.2711 -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 S O O O O O O O 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 H -0.075570 0.879409 -0.414706 -0.374327 -0.461580 -0.305249 -0.433167 -0.542693 -0.560773 0.152915 -0.170272 -0.151604 0.031234 0.022360 -0.315801 -0.132690 -0.099409 -0.090305 0.316968 0.311491 0.362788 0.011978 -0.045802 0.143917 -0.057474 -0.008281 -0.143818 -0.114155 -0.264165 0.076210 0.092904 0.078930 0.063077 0.084398 0.087134 0.087647 0.095983 0.092150 0.083688 0.082935 0.088452 0.103830 0.111960 0.100272 0.132817 0.086129 0.148191 0.145651 0.138952 0.142678 0.138638 0.266158 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 S O O O O O O O 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 H 17.0756 15.1206 8.4147 8.3743 8.4616 8.3052 8.4332 8.5427 8.5608 5.8471 6.1703 6.1516 5.9688 5.9776 6.3158 6.1327 6.0994 6.0903 5.6830 5.6885 5.6372 5.9880 6.0458 5.8561 6.0575 6.0083 6.1438 6.1142 6.2642 0.9238 0.9071 0.9211 0.9369 0.9156 0.9129 0.9124 0.9040 0.9079 0.9163 0.9171 0.9115 0.8962 0.8880 0.8997 0.8672 0.9139 0.8518 0.8543 0.8610 0.8573 0.8614 0.7338 17.0000 16.0000 8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 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 1.0000 -0.0756 0.8794 -0.4147 -0.3743 -0.4616 -0.3052 -0.4332 -0.5427 -0.5608 0.1529 -0.1703 -0.1516 0.0312 0.0224 -0.3158 -0.1327 -0.0994 -0.0903 0.3170 0.3115 0.3628 0.0120 -0.0458 0.1439 -0.0575 -0.0083 -0.1438 -0.1142 -0.2642 0.0762 0.0929 0.0789 0.0631 0.0844 0.0871 0.0876 0.0960 0.0921 0.0837 0.0829 0.0885 0.1038 0.1120 0.1003 0.1328 0.0861 0.1482 0.1457 0.1390 0.1427 0.1386 0.2662 1.2661 5.5087 1.9376 1.8881 2.0248 2.2599 2.0764 1.9160 1.9148 3.9031 3.9113 3.9323 3.9118 3.8400 3.4704 3.9198 3.8959 3.9411 3.9217 3.8949 3.8020 3.7398 3.9287 3.5535 3.7717 3.9425 4.0568 3.9706 3.8623 1.0062 1.0110 1.0235 1.0254 1.0204 0.9979 0.9973 0.9972 1.0175 1.0107 1.0136 1.0280 1.0075 1.0069 1.0215 1.0059 1.0176 1.0050 1.0213 1.0145 1.0079 1.0114 1.0624 1.2661 5.5087 1.9376 1.8881 2.0248 2.2599 2.0764 1.9160 1.9148 3.9031 3.9113 3.9323 3.9118 3.8400 3.4704 3.9198 3.8959 3.9411 3.9217 3.8949 3.8020 3.7398 3.9287 3.5535 3.7717 3.9425 4.0568 3.9706 3.8623 1.0062 1.0110 1.0235 1.0254 1.0204 0.9979 0.9973 0.9972 1.0175 1.0107 1.0136 1.0280 1.0075 1.0069 1.0215 1.0059 1.0176 1.0050 1.0213 1.0145 1.0079 1.0114 1.0624 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 1.1339 1.7642 1.7715 0.8806 0.9388 0.9796 0.9338 0.8896 0.9563 1.8960 1.3577 0.8269 1.7725 0.1942 0.9339 0.9657 0.9915 0.9384 1.0035 1.0060 0.9626 1.0039 0.9994 0.9939 0.9824 0.9781 1.0044 0.9888 1.3743 1.1138 0.9182 0.9272 1.0069 1.0029 1.0218 0.9903 0.9753 1.0132 0.9670 0.9900 0.9006 0.9358 1.3415 1.3624 0.9809 0.9905 1.2937 1.3935 1.4082 1.4537 0.9879 0.9585 0.9468 0.9554 0.9498 0 25 1 7 1 8 1 24 1 28 2 9 2 12 3 13 3 22 4 18 5 19 5 51 6 20 6 51 9 10 9 13 9 29 10 11 10 30 10 31 11 12 11 32 11 33 12 34 12 35 13 36 13 37 14 18 14 19 14 20 15 16 15 17 15 38 15 39 16 18 16 40 16 41 17 19 17 42 17 43 20 23 21 22 21 24 21 25 22 44 22 45 23 25 23 26 24 27 26 27 26 46 27 47 28 48 28 49 28 50 -0.032174851 -2161.137441555465 5.44985 -1.55738 3.89247 25.57841 -24.22182 1.35660 12.81324 -10.48037 2.33287 4.73645 12.03910