Orca 5.0.2 RELEASE 1 2 3 4 5 6 7 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl S F F F F O O O O O N N N N 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 1 2 3 3 3 3 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 483.71731279999983 AuxInfo=1/0/N:17,18,31,19,23,30,28,16,21,29,27,20,25,26,22,24,32,1,3,4,5,6,13,15,12,14,11,9,10,7,8,2/E:(1,2)(20,21,22)(30,31)/CRV:5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.2,27.1,28.1,29.1,30.1,31.1/rA:48nClSFFFFO1O1O1O1O1NN2NNCCCCC3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHH/rB:;;;;;s2;s2;;;;s2;s2;;;s12;s16;s16;s12;s14;;s9s13s21;s20s21;s10s14s15;s15;s11s14;s3s20;s25s26;s1s21;s27s29;s15;s4s5s6s25;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;s23;s28;s30;s31;s31;s31;/rC:-3.0859,-2.6827,-1.8664;-3.0972,.6449,.7318;1.7589,-3.1004,-.6151;6.5392,1.7213,-.3556;5.7752,2.0428,1.6203;6.7694,.1906,1.1237;-1.8888,1.2743,1.2689;-3.2849,-.7664,1.0712;-2.7153,.4837,-2.9694;1.7327,-.8221,1.7254;2.6355,-.0509,-2.6407;-4.3657,1.4722,1.4152;-3.2754,.9323,-.8408;2.178,-.4177,-.4507;3.7809,.0147,1.2163;-5.7181,.9214,1.2131;-6.4685,1.5427,.0405;-6.5114,1.0443,2.507;-4.2527,2.9213,1.3691;.8966,-.9352,-.7853;-1.4188,-.6178,-1.3773;-2.5433,.3153,-1.7638;-.1761,-.1001,-1.0378;2.5142,-.4306,.8906;4.6025,.5339,.2474;2.9983,.0154,-1.4862;.7178,-2.3036,-.8647;4.267,.547,-1.0513;-1.5572,-1.9974,-1.4489;-.5018,-2.8567,-1.1872;4.1142,-.0457,2.6425;5.9336,1.1258,.6649;-5.5991,-.1426,1.0087;-7.407,1.0093,-.1182;-6.7196,2.5899,.2204;-5.891,1.4806,-.8808;-6.6798,2.0859,2.7884;-5.9983,.5491,3.3317;-7.4916,.5785,2.3931;-3.3329,3.2481,1.8479;-5.0751,3.3554,1.9353;-4.2838,3.3338,.3562;-.0349,.9711,-.9764;4.9182,.9497,-1.8106;-.6192,-3.9311,-1.2353;3.6479,-.9243,3.074;3.7521,.8366,3.1668;5.1801,-.1535,2.795; 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 1748 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge -1 Mult 1 NEL 256 Dim 1238 ENuc 3902.5937383146 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 6.749e-06 Time for diagonalization 0.502 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.391 sec Total time needed 0.911 sec 17 16 9 9 9 9 8 8 8 8 8 7 7 7 7 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 1 483.71731279999983 AuxInfo=1/0/N:17,18,31,19,23,30,28,16,21,29,27,20,25,26,22,24,32,1,3,4,5,6,13,15,12,14,11,9,10,7,8,2/E:(1,2)(20,21,22)(30,31)/CRV:5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.2,27.1,28.1,29.1,30.1,31.1/rA:48nClSFFFFO1O1O1O1O1NN2NNCCCCC3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHH/rB:;;;;;s2;s2;;;;s2;s2;;;s12;s16;s16;s12;s14;;s9s13s21;s20s21;s10s14s15;s15;s11s14;s3s20;s25s26;s1s21;s27s29;s15;s4s5s6s25;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;s23;s28;s30;s31;s31;s31;/rC:-3.0859,-2.6827,-1.8664;-3.0972,.6449,.7318;1.7589,-3.1004,-.6151;6.5392,1.7213,-.3556;5.7752,2.0428,1.6203;6.7694,.1906,1.1237;-1.8888,1.2743,1.2689;-3.2849,-.7664,1.0712;-2.7153,.4837,-2.9694;1.7327,-.8221,1.7254;2.6355,-.0509,-2.6407;-4.3657,1.4722,1.4152;-3.2754,.9323,-.8408;2.178,-.4177,-.4507;3.7809,.0147,1.2163;-5.7181,.9214,1.2131;-6.4685,1.5427,.0405;-6.5114,1.0443,2.507;-4.2527,2.9213,1.3691;.8966,-.9352,-.7853;-1.4188,-.6178,-1.3773;-2.5433,.3153,-1.7638;-.1761,-.1001,-1.0378;2.5142,-.4306,.8906;4.6025,.5339,.2474;2.9983,.0154,-1.4862;.7178,-2.3036,-.8647;4.267,.547,-1.0513;-1.5572,-1.9974,-1.4489;-.5018,-2.8567,-1.1872;4.1142,-.0457,2.6425;5.9336,1.1258,.6649;-5.5991,-.1426,1.0087;-7.407,1.0093,-.1182;-6.7196,2.5899,.2204;-5.891,1.4806,-.8808;-6.6798,2.0859,2.7884;-5.9983,.5491,3.3317;-7.4916,.5785,2.3931;-3.3329,3.2481,1.8479;-5.0751,3.3554,1.9353;-4.2838,3.3337,.3562;-.0349,.9711,-.9764;4.9182,.9497,-1.8106;-.6192,-3.9311,-1.2353;3.6479,-.9243,3.074;3.7521,.8366,3.1668;5.1801,-.1535,2.7949; -1 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" 483.71731279999983 AuxInfo=1/0/N:17,18,31,19,23,30,28,16,21,29,27,20,25,26,22,24,32,1,3,4,5,6,13,15,12,14,11,9,10,7,8,2/E:(1,2)(20,21,22)(30,31)/CRV:5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.2,27.1,28.1,29.1,30.1,31.1/rA:48nClSFFFFO1O1O1O1O1NN2NNCCCCC3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHH/rB:;;;;;s2;s2;;;;s2;s2;;;s12;s16;s16;s12;s14;;s9s13s21;s20s21;s10s14s15;s15;s11s14;s3s20;s25s26;s1s21;s27s29;s15;s4s5s6s25;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;s23;s28;s30;s31;s31;s31;/rC:-3.0859,-2.6827,-1.8664;-3.0972,.6449,.7318;1.7589,-3.1004,-.6151;6.5392,1.7213,-.3556;5.7752,2.0428,1.6203;6.7694,.1906,1.1237;-1.8888,1.2743,1.2689;-3.2849,-.7664,1.0712;-2.7153,.4837,-2.9694;1.7327,-.8221,1.7254;2.6355,-.0509,-2.6407;-4.3657,1.4722,1.4152;-3.2754,.9323,-.8408;2.178,-.4177,-.4507;3.7809,.0147,1.2163;-5.7181,.9214,1.2131;-6.4685,1.5427,.0405;-6.5114,1.0443,2.507;-4.2527,2.9213,1.3691;.8966,-.9352,-.7853;-1.4188,-.6178,-1.3773;-2.5433,.3153,-1.7638;-.1761,-.1001,-1.0378;2.5142,-.4306,.8906;4.6025,.5339,.2474;2.9983,.0154,-1.4862;.7178,-2.3036,-.8647;4.267,.547,-1.0513;-1.5572,-1.9974,-1.4489;-.5018,-2.8567,-1.1872;4.1142,-.0457,2.6425;5.9336,1.1258,.6649;-5.5991,-.1426,1.0087;-7.407,1.0093,-.1182;-6.7196,2.5899,.2204;-5.891,1.4806,-.8808;-6.6798,2.0859,2.7884;-5.9983,.5491,3.3317;-7.4916,.5785,2.3931;-3.3329,3.2481,1.8479;-5.0751,3.3554,1.9353;-4.2838,3.3338,.3562;-.0349,.9711,-.9764;4.9182,.9497,-1.8106;-.6192,-3.9311,-1.2353;3.6479,-.9243,3.074;3.7521,.8366,3.1668;5.1801,-.1535,2.795; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl S F O N C H 2.3800 2.4900 1.7300 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 2688 GEPOL Volume 3008.6012 GEPOL Surface-area 1601.2546 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 0.6s -2510.75591480 3902.59373831 -6413.34965311 -11251.92612764 4838.57647453 -0.12304566 -5013.67178979 2502.91587499 2.00313236 128.000063031931 128.000063031931 256.000126063862 -187.585973208179 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.1016 -2425.4874 -675.7466 -675.7301 -675.7263 -675.0137 -522.9455 -522.9277 -522.4269 -522.3884 -521.9327 -394.6252 -394.3745 -392.6052 -391.3566 -287.1270 -283.9378 -283.1534 -282.3437 -282.2804 -282.1125 -281.6022 -281.0968 -280.5049 -280.2251 -280.2215 -280.1357 -280.1174 -280.0458 -279.7568 -278.8154 -278.7199 -260.3743 -223.0545 -199.2114 -198.9743 -198.9639 -167.3891 -167.3538 -167.3426 -39.6548 -37.0872 -37.0615 -36.9459 -33.0857 -32.9658 -32.0988 -30.9145 -30.2610 -29.6407 -29.4370 -28.1825 -27.7044 -26.8723 -26.1702 -25.7507 -24.1315 -24.0849 -23.9147 -23.0038 -22.7996 -21.9000 -21.5582 -21.3891 -20.9276 -20.6413 -20.1920 -19.9317 -19.7722 -19.6173 -19.1987 -18.6552 -18.3276 -17.9821 -17.5861 -17.3729 -17.0053 -16.6888 -16.4558 -16.2020 -16.1410 -16.0496 -16.0045 -15.5914 -15.5053 -15.3772 -15.1593 -15.0865 -14.8528 -14.8005 -14.7398 -14.7080 -14.5300 -14.4948 -14.4156 -14.3736 -14.3036 -14.2626 -14.0286 -13.8944 -13.6795 -13.6322 -13.3181 -13.2514 -13.1155 -13.0131 -12.5893 -12.5307 -12.4567 -12.3572 -12.2596 -11.8364 -11.6235 -11.3222 -11.1521 -11.0843 -11.0758 -11.0132 -10.5746 -10.4486 -10.3040 -9.8409 -9.5938 -9.3087 -9.1954 -8.8630 -8.7295 -8.5949 0.4384 1.3526 1.7171 2.2618 2.8296 3.2700 3.6188 3.7302 4.3679 4.4389 4.5385 4.7174 4.8343 4.8985 5.0165 5.0590 5.1269 5.3038 5.3932 5.4604 5.6395 5.7199 5.7776 5.8553 5.9421 6.1070 6.1716 6.2773 6.3423 6.4594 6.5378 6.5838 6.6497 6.7452 6.8335 6.9502 7.0065 7.1249 7.3551 7.4964 7.5732 7.6697 7.9665 7.9926 8.0378 8.1480 8.2277 8.2921 8.4080 8.4846 8.5112 8.8296 8.9532 9.0276 9.1534 9.1973 9.2745 9.3581 9.5495 9.6013 9.7142 9.7766 9.9115 10.0186 10.1531 10.2083 10.3362 10.3962 10.5516 10.5872 10.7611 10.8102 10.8615 11.0311 11.1929 11.2991 11.4063 11.4878 11.6673 11.7356 11.7778 11.9184 11.9408 12.0535 12.1520 12.2218 12.4601 12.5048 12.5461 12.7521 12.8133 12.9574 13.1134 13.2065 13.2722 13.3425 13.4524 13.5280 13.6497 13.7927 13.9904 14.0794 14.1491 14.2090 14.2927 14.3248 14.3940 14.4389 14.5606 14.5954 14.6850 14.8291 14.9363 15.0298 15.0899 15.1564 15.2709 15.3116 15.4400 15.4598 15.5224 15.6880 15.7645 15.8735 15.9830 16.1104 16.1766 16.2043 16.2951 16.3834 16.4676 16.5706 16.7449 16.8303 17.0258 17.1978 17.3508 17.4060 17.4691 17.6393 17.7036 17.7498 17.8676 17.9645 18.0871 18.1403 18.3390 18.4387 18.4757 18.7210 18.7569 18.8935 19.0077 19.0899 19.2322 19.3869 19.5034 19.5963 19.9111 20.0661 20.2059 20.3051 20.3842 20.4935 20.6909 20.8788 21.1299 21.2232 21.2552 21.5144 21.5930 21.7109 21.8488 21.9015 22.0377 22.1307 22.1693 22.3452 22.3689 22.5523 22.6943 22.7751 22.8242 23.0287 23.2123 23.3050 23.3733 23.6272 23.8710 23.9553 24.1577 24.2581 24.3750 24.4717 24.6716 24.8582 24.8846 24.9390 25.1027 25.2267 25.2586 25.4218 25.5946 25.6763 25.7454 25.7634 26.0108 26.0880 26.2802 26.3963 26.4619 26.6490 26.7852 26.8781 26.9425 26.9932 27.2431 27.4091 27.4364 27.6802 27.7629 27.8146 27.8892 27.9624 28.2145 28.2732 28.3281 28.6301 28.8090 28.8716 28.9425 29.0993 29.1915 29.3447 29.4567 29.5802 29.8164 30.0137 30.1619 30.2053 30.2699 30.5671 30.5737 30.6419 30.8827 31.0576 31.1581 31.2752 31.4989 31.6480 31.7566 31.8724 31.9880 32.0316 32.1908 32.4927 32.5898 32.7579 32.8460 33.0075 33.0854 33.2934 33.4448 33.6931 33.7671 33.8040 33.9944 34.1173 34.2987 34.4406 34.4528 34.6095 34.7474 34.8860 35.2255 35.3995 35.6361 35.9789 36.0844 36.1703 36.3478 36.4716 36.5918 36.7704 36.8370 37.0400 37.3471 37.4332 37.5305 37.8823 37.9953 38.1035 38.3400 38.3799 38.5181 38.7011 38.7975 38.9023 39.0478 39.1308 39.2103 39.3380 39.6441 39.7581 39.8821 40.0323 40.0806 40.5142 40.6130 40.8225 40.8984 41.0860 41.2649 41.3496 41.6483 41.6821 41.8024 41.9061 42.1921 42.3340 42.4459 42.7177 42.8395 42.9396 43.0313 43.1867 43.4098 43.6671 43.7537 43.8115 43.9422 44.0273 44.1170 44.2127 44.3324 44.4942 44.5405 44.6690 44.8301 44.9445 45.0387 45.3121 45.3969 45.5445 45.5909 45.6584 45.8277 45.9929 46.0839 46.1517 46.3441 46.4296 46.6017 46.6540 46.9174 47.1125 47.2863 47.5263 47.6607 47.6934 47.9294 48.0424 48.0632 48.4949 48.6789 48.7349 48.8766 49.1309 49.3866 49.5845 49.6908 49.7340 49.8982 50.0031 50.3117 50.4877 50.5389 50.6335 50.8396 51.0879 51.3446 51.4511 51.6239 51.8460 51.9451 52.0905 52.4051 52.4947 52.6565 52.7505 52.9919 53.0959 53.4431 53.4644 53.6565 53.9462 54.2086 54.3435 54.3754 54.5225 54.7338 54.9243 55.0590 55.4333 55.6590 55.7019 55.8654 56.1060 56.3157 56.4605 57.0112 57.2163 57.3207 57.4318 57.5738 57.7482 57.8851 58.0011 58.1490 58.3702 58.3961 58.7448 58.8814 58.9935 59.3086 59.4869 59.7637 59.8260 59.9478 60.0990 60.1808 60.2737 60.5873 60.8066 60.9016 61.1873 61.5491 61.5876 61.8071 61.9775 62.1688 62.2906 62.5910 62.8146 62.9391 63.1114 63.3484 63.4191 63.6991 63.8022 64.0221 64.1723 64.2778 64.4484 64.6627 64.7538 65.0362 65.2495 65.4390 65.4741 65.5907 65.7615 65.8163 66.1222 66.4740 66.5361 66.7227 66.7584 66.8994 66.9902 67.1556 67.1681 67.3862 67.5602 67.6665 67.8423 68.1406 68.3126 68.7475 69.0304 69.1177 69.5386 69.7789 70.0379 70.2215 70.4279 70.5271 70.7399 70.8898 70.9960 71.1182 71.2741 71.5544 71.7218 71.8396 71.9491 72.1691 72.4019 72.6462 72.9816 73.1585 73.3671 73.5802 73.7277 73.9569 74.3404 74.4813 74.5494 74.7948 74.9288 75.0915 75.6201 75.7047 75.8548 76.2527 76.6245 76.7945 76.9364 77.1128 77.4641 77.6162 77.7516 77.7767 78.0445 78.0907 78.3936 78.5994 78.8027 78.9433 79.0899 79.3076 79.3809 79.4785 79.7652 79.9806 80.0174 80.0492 80.2584 80.4422 80.6062 80.6907 80.8177 80.9321 80.9959 81.1972 81.2309 81.3933 81.4660 81.7892 81.8497 82.0455 82.1117 82.1792 82.3595 82.4983 82.6335 82.8379 82.9316 83.0241 83.0769 83.3899 83.4181 83.6813 83.7558 84.0616 84.2053 84.3119 84.4172 84.5395 84.5673 84.7260 84.8341 84.9458 85.0013 85.2667 85.4042 85.4630 85.6516 85.7872 85.9927 86.1748 86.2865 86.5038 86.6127 86.7791 86.8693 86.9666 87.0601 87.2139 87.3852 87.4429 87.6201 87.6944 87.8867 87.9747 88.0037 88.2952 88.3757 88.4057 88.7660 88.8463 88.9056 89.0094 89.0914 89.2094 89.4414 89.4787 89.5311 89.7820 89.7933 89.9716 90.1911 90.3359 90.3788 90.7209 90.8103 90.8637 90.9997 91.0357 91.2319 91.4398 91.4481 91.5833 91.8437 92.0693 92.1388 92.2947 92.4045 92.4443 92.6236 92.7972 92.9543 93.0370 93.1010 93.2994 93.4942 93.6253 93.9136 94.0310 94.0752 94.3742 94.4691 94.6219 94.9374 95.0273 95.0493 95.0888 95.2836 95.3767 95.4506 95.5703 95.6422 95.8801 95.9615 96.0550 96.2615 96.4002 96.6431 97.0274 97.1647 97.3771 97.3948 97.4824 97.6444 97.7590 98.0577 98.1154 98.3017 98.4207 98.6102 98.7732 98.8765 99.0102 99.2149 99.3574 99.4367 99.6040 99.7001 99.7751 99.9941 100.0765 100.5157 100.6145 100.8237 100.8810 101.0971 101.2972 101.5047 101.6380 101.8591 101.9387 102.2240 102.4111 102.4583 102.6243 102.9146 103.1851 103.2885 103.5943 103.7546 103.8771 104.0406 104.2417 104.4083 104.5833 104.6559 104.9509 105.0325 105.2511 105.3335 105.3891 105.6597 105.9657 106.1755 106.4977 106.5380 106.7944 107.0150 107.1158 107.3001 107.4756 107.6135 108.0320 108.1658 108.3420 108.5207 108.9859 109.0444 109.2065 109.3115 109.4705 109.6516 109.9786 110.0932 110.3724 110.5213 110.6810 110.7082 110.8658 111.0268 111.2258 111.3152 111.6948 111.7579 112.0233 112.0897 112.5012 112.5888 112.6934 112.9443 113.1905 113.4434 113.6790 113.8248 113.9031 114.1446 114.2625 114.3320 114.4863 114.6614 114.7562 114.9442 115.0254 115.1525 115.3305 115.4218 115.5633 115.8560 116.0025 116.1572 116.3451 116.4733 116.6793 116.7850 116.9448 117.1528 117.2222 117.4205 117.5642 117.6770 117.8675 118.0030 118.1082 118.3531 118.5996 118.7791 118.9895 119.2412 119.3962 119.5477 119.7174 119.7701 119.9418 120.1927 120.2196 120.4822 120.6526 120.7785 120.8932 121.2955 121.5889 121.9651 122.1870 122.4271 122.5200 122.6687 122.8041 123.0658 123.2405 123.4459 123.8701 123.9255 124.2249 124.4913 124.6614 124.8840 125.2777 125.4490 125.8050 125.9384 126.1936 126.5877 127.2233 127.2992 127.4197 127.8137 128.5264 128.8018 129.1995 129.2824 129.4366 129.9619 130.1863 130.6779 130.7658 131.1078 131.4393 132.1936 132.4818 132.5413 132.9657 133.1348 133.2580 133.4552 133.6836 134.1227 134.2337 134.6453 134.9279 134.9645 135.5896 135.6170 135.7484 136.1399 136.2820 136.5372 136.9237 137.2728 137.6650 137.7152 137.8867 138.3170 138.8353 138.9030 139.1287 139.5222 139.8886 140.1904 140.4023 140.4692 140.6970 141.0198 141.2536 141.5755 141.6211 142.2532 142.3077 142.6179 142.8760 143.1671 143.4237 143.4648 143.6501 143.7093 143.8661 143.8877 143.9822 144.2593 144.5754 144.6670 144.6880 144.7547 144.8974 144.9788 145.1230 145.2991 145.4042 145.5478 145.6596 145.9192 146.2363 146.4350 146.6641 147.0589 147.1957 147.3547 147.4229 147.7794 147.9475 148.1759 148.2679 148.3266 148.6247 148.8267 148.9518 149.2929 149.5132 149.5537 149.8425 150.1261 150.2588 150.3902 150.4640 150.7710 150.8113 151.0031 151.0983 151.4241 151.4926 151.7549 151.9075 152.2546 152.4801 152.5836 152.7871 152.8980 152.9769 153.3748 153.4775 153.7643 153.9746 154.4489 154.7558 154.9920 155.2842 155.4648 155.7129 155.8054 155.9316 156.1573 156.6263 156.8430 156.8663 157.1205 157.4080 157.5559 157.8682 158.2692 158.7908 158.9279 159.4817 159.6890 159.8630 160.2616 160.6322 160.7653 160.7946 161.1280 161.6877 162.4896 163.7199 164.0743 164.9357 166.1162 166.5779 167.3629 167.6659 169.4438 170.1357 170.9207 171.6650 173.2569 175.3403 176.2589 176.3523 177.1870 177.5843 178.0278 178.3149 178.4672 178.9190 179.4427 179.8542 181.8452 183.1482 185.2832 185.7015 185.9091 186.3389 187.1700 187.6642 188.0454 188.2465 188.3285 188.3675 188.4021 188.6180 188.7170 188.7492 188.8392 189.1024 189.1280 189.1694 189.4158 189.4850 190.0345 190.6303 191.4874 192.0725 192.3562 192.8602 193.0837 194.4099 194.4814 194.9316 195.3520 195.5214 195.9723 196.1250 196.1994 196.5863 196.8642 197.2546 198.6175 199.9917 201.5913 202.8110 203.1396 205.0629 206.1681 206.8969 209.2253 210.2163 211.6152 213.4936 215.4604 217.2050 222.6060 224.3877 224.7022 227.6552 228.2540 228.6516 228.9496 230.2316 230.4609 232.4864 233.5117 235.4197 236.1027 239.0566 240.9289 241.3411 241.7270 244.3678 245.9988 247.0188 247.3636 248.1248 249.0262 250.2841 251.3481 260.4690 265.3772 274.1557 295.7394 298.7713 313.5459 614.8160 622.0667 623.6520 625.8358 626.9717 632.3220 633.5546 634.1297 635.5084 637.7290 642.9627 644.3413 645.9907 646.7852 647.8124 650.1641 650.8466 651.6513 715.8285 888.4958 896.9153 903.2811 907.5836 1194.5909 1199.4100 1199.7114 1200.1493 1201.5959 1558.6639 1559.9308 1565.1545 1565.2761 -1.0000000 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 Cl S F F F F O O O O O N N N N 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 -0.069932 0.885772 -0.211294 -0.158874 -0.161882 -0.163509 -0.579066 -0.566397 -0.524183 -0.461431 -0.460344 -0.192616 -0.395908 -0.071047 -0.103360 0.078914 -0.286963 -0.266591 -0.215870 0.004383 -0.042633 0.222264 -0.127002 0.415376 0.007226 0.349259 0.230841 -0.160724 0.126713 -0.170972 -0.185537 0.536868 0.065447 0.095775 0.082942 0.097674 0.081925 0.088419 0.088981 0.116979 0.108322 0.103078 0.140954 0.138106 0.130536 0.116187 0.139625 0.123566 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 Cl S F F F F O O O O O N N N N 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 17.0699 15.1142 9.2113 9.1589 9.1619 9.1635 8.5791 8.5664 8.5242 8.4614 8.4603 7.1926 7.3959 7.0710 7.1034 5.9211 6.2870 6.2666 6.2159 5.9956 6.0426 5.7777 6.1270 5.5846 5.9928 5.6507 5.7692 6.1607 5.8733 6.1710 6.1855 5.4631 0.9346 0.9042 0.9171 0.9023 0.9181 0.9116 0.9110 0.8830 0.8917 0.8969 0.8590 0.8619 0.8695 0.8838 0.8604 0.8764 17.0000 16.0000 9.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 -0.0699 0.8858 -0.2113 -0.1589 -0.1619 -0.1635 -0.5791 -0.5664 -0.5242 -0.4614 -0.4603 -0.1926 -0.3959 -0.0710 -0.1034 0.0789 -0.2870 -0.2666 -0.2159 0.0044 -0.0426 0.2223 -0.1270 0.4154 0.0072 0.3493 0.2308 -0.1607 0.1267 -0.1710 -0.1855 0.5369 0.0654 0.0958 0.0829 0.0977 0.0819 0.0884 0.0890 0.1170 0.1083 0.1031 0.1410 0.1381 0.1305 0.1162 0.1396 0.1236 1.2479 6.0120 1.0842 1.1520 1.1487 1.1428 1.8739 1.8875 1.9487 2.0571 2.0522 2.9143 2.6997 3.1112 3.3693 3.9139 3.8983 3.9138 3.9350 3.5091 3.6196 4.4603 4.1011 4.2284 3.9713 4.2199 4.1381 3.8760 3.8613 4.0543 3.8671 4.4201 1.0324 1.0069 0.9974 1.0273 1.0059 1.0158 1.0041 1.0142 0.9897 0.9990 1.0271 1.0218 1.0174 1.0079 0.9877 1.0104 1.2479 6.0120 1.0842 1.1520 1.1487 1.1428 1.8739 1.8875 1.9487 2.0571 2.0522 2.9143 2.6997 3.1112 3.3693 3.9139 3.8983 3.9138 3.9350 3.5091 3.6196 4.4603 4.1011 4.2284 3.9713 4.2199 4.1381 3.8760 3.8613 4.0543 3.8671 4.4201 1.0324 1.0069 0.9974 1.0273 1.0059 1.0158 1.0041 1.0142 0.9897 0.9990 1.0271 1.0218 1.0174 1.0079 0.9877 1.0104 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 1.0627 1.7608 1.7662 1.0813 1.1913 1.0342 1.1500 1.1315 1.1246 1.9211 1.8942 1.8966 0.9051 0.9156 1.4887 0.8048 1.1515 1.0957 1.1505 1.2152 0.8972 0.9489 0.9536 0.9999 0.9948 0.9804 0.9903 0.9831 0.9967 0.9931 0.9835 0.9722 0.9851 1.3962 1.3885 0.8715 1.4439 1.3275 0.9611 1.6639 0.9836 1.1300 1.5001 0.9626 1.3736 0.9721 0.9722 0.9762 0.9705 0 28 1 6 1 7 1 11 1 12 2 26 3 31 4 31 5 31 8 21 9 23 10 25 11 15 11 18 12 21 13 19 13 23 13 25 14 23 14 24 14 30 15 16 15 17 15 32 16 33 16 34 16 35 17 36 17 37 17 38 18 39 18 40 18 41 19 22 19 26 20 21 20 22 20 28 22 42 24 27 24 31 25 27 26 29 27 43 28 29 29 44 30 45 30 46 30 47 -0.029245532 -2510.785160330457 -54.76573 60.02437 5.25864 17.98484 -17.62491 0.35993 17.89757 -14.96659 2.93098 6.03104 15.32969