Orca 5.0.2 RELEASE 1 2 3 4 5 6 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 Cl F F F O O O O O O N N 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 1 2 2 2 3 3 3 3 3 3 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.3365,-2.2891,.6001;-6.6282,1.3808,-.2082;-6.6398,.4955,-2.1586;-7.1863,-.6852,-.4604;3.4635,.1964,-.9478;4.8519,1.1583,1.1172;-2.602,-.8309,1.8421;-1.9873,-.7601,-2.6397;5.24,3.0701,.03;2.164,1.7204,.0445;-2.3008,-.7959,-.3935;-4.4167,-.3708,.5468;4.5128,1.145,-1.2226;-.9311,-1.1477,-.1883;-4.8979,-.1402,-.7189;-3.0811,-.6727,.7427;4.1114,2.076,-2.353;5.7168,.2985,-1.6209;1.3915,-.513,-.1318;.0505,-.1846,-.3135;-2.74,-.6154,-1.7;-4.1293,-.2444,-1.8131;4.8814,1.9215,.0423;-.5958,-2.4506,.1388;2.3751,.5899,-.3167;1.718,-1.8198,.2295;-5.2603,-.3074,1.7436;.7274,-2.7816,.3645;-6.3515,.2649,-.8837;5.2075,1.7615,2.3751;5.1591,.6908,3.4084;4.3923,.7567,4.488;3.8119,1.4876,-3.2204;3.2926,2.742,-2.0878;4.9597,2.6897,-2.6517;6.577,.9404,-1.809;5.9875,-.4173,-.8453;5.5027,-.2504,-2.5385;-.2211,.8321,-.5666;-4.5085,-.0595,-2.8055;-1.3621,-3.2089,.233;-6.1109,-.9757,1.6525;-4.6774,-.6373,2.5938;-5.5932,.708,1.9403;.9876,-3.791,.6516;4.5127,2.5711,2.6078;6.2143,2.1812,2.3024;5.8236,-.1554,3.2624;4.4104,-.0214,5.2403;3.7209,1.5891,4.6642; 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 1768 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 244 Dim 1255 ENuc 3492.1221182838 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 6.285e-06 Time for diagonalization 0.551 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.264 sec Total time needed 0.822 sec 17 9 9 9 8 8 8 8 8 8 7 7 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 1 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.3365,-2.2891,.6001;-6.6282,1.3808,-.2082;-6.6398,.4955,-2.1586;-7.1863,-.6852,-.4604;3.4635,.1964,-.9478;4.8519,1.1583,1.1172;-2.602,-.8309,1.8421;-1.9873,-.7601,-2.6397;5.24,3.0701,.03;2.164,1.7204,.0445;-2.3008,-.7959,-.3935;-4.4167,-.3708,.5468;4.5128,1.145,-1.2226;-.9311,-1.1477,-.1883;-4.8979,-.1402,-.7189;-3.0811,-.6727,.7427;4.1114,2.076,-2.353;5.7168,.2985,-1.6209;1.3915,-.513,-.1318;.0505,-.1846,-.3135;-2.74,-.6154,-1.7;-4.1293,-.2444,-1.8131;4.8814,1.9215,.0423;-.5958,-2.4506,.1388;2.3751,.5899,-.3167;1.718,-1.8199,.2295;-5.2603,-.3074,1.7436;.7274,-2.7816,.3645;-6.3515,.2649,-.8837;5.2075,1.7615,2.3751;5.1591,.6909,3.4084;4.3923,.7567,4.488;3.8119,1.4876,-3.2204;3.2926,2.742,-2.0878;4.9597,2.6897,-2.6517;6.577,.9404,-1.809;5.9875,-.4173,-.8453;5.5027,-.2504,-2.5385;-.2211,.8321,-.5666;-4.5085,-.0595,-2.8055;-1.3621,-3.2089,.233;-6.1109,-.9757,1.6525;-4.6774,-.6373,2.5938;-5.5932,.708,1.9403;.9876,-3.791,.6516;4.5127,2.5711,2.6078;6.2143,2.1812,2.3024;5.8236,-.1554,3.2624;4.4104,-.0214,5.2403;3.7209,1.5891,4.6642; 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" 456.67200959999974 AuxInfo=1/0/N:32,17,18,27,31,24,28,30,20,22,14,19,26,15,21,25,23,16,13,29,1,2,3,4,12,11,8,10,9,7,6,5/E:(2,3)(22,23,24)/CRV:1.3,5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,27.1,28.1,29.1,30.1/rA:50nClFFFOOO1O1O1O1NNCC3C3C3CCC3C3C3C3C3C3C3C3CC3CCC3C3HHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;s5;s11;s12;s7s11s12;s13;s13;;s14s19;s8s11;s15s21;s6s9s13;s14;s5s10s19;s1s19;s12;s24s26;s2s3s4s15;s6;s30;s31;s17;s17;s17;s18;s18;s18;s20;s22;s24;s27;s27;s27;s28;s30;s30;s31;s32;s32;/rC:3.3365,-2.2891,.6001;-6.6282,1.3808,-.2082;-6.6398,.4955,-2.1586;-7.1863,-.6852,-.4604;3.4635,.1964,-.9478;4.8519,1.1583,1.1172;-2.602,-.8309,1.8421;-1.9873,-.7601,-2.6397;5.24,3.0701,.03;2.164,1.7204,.0445;-2.3008,-.7959,-.3935;-4.4167,-.3708,.5468;4.5128,1.145,-1.2226;-.9311,-1.1477,-.1883;-4.8979,-.1402,-.7189;-3.0811,-.6727,.7427;4.1114,2.076,-2.353;5.7168,.2985,-1.6209;1.3915,-.513,-.1318;.0505,-.1846,-.3135;-2.74,-.6154,-1.7;-4.1293,-.2444,-1.8131;4.8814,1.9215,.0423;-.5958,-2.4506,.1388;2.3751,.5899,-.3167;1.718,-1.8198,.2295;-5.2603,-.3074,1.7436;.7274,-2.7816,.3645;-6.3515,.2649,-.8837;5.2075,1.7615,2.3751;5.1591,.6908,3.4084;4.3923,.7567,4.488;3.8119,1.4876,-3.2204;3.2926,2.742,-2.0878;4.9597,2.6897,-2.6517;6.577,.9404,-1.809;5.9875,-.4173,-.8453;5.5027,-.2504,-2.5385;-.2211,.8321,-.5666;-4.5085,-.0595,-2.8055;-1.3621,-3.2089,.233;-6.1109,-.9757,1.6525;-4.6774,-.6373,2.5938;-5.5932,.708,1.9403;.9876,-3.791,.6516;4.5127,2.5711,2.6078;6.2143,2.1812,2.3024;5.8236,-.1554,3.2624;4.4104,-.0214,5.2403;3.7209,1.5891,4.6642; Epsilon 9.8629 Refrac 1.4295 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM Cl F O N C H 2.3800 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 2882 GEPOL Volume 2967.0717 GEPOL Surface-area 1644.8730 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.8s -2093.81567196 3492.12211828 -5585.93779025 -9821.92087882 4235.98308857 -0.04597364 -4180.62742548 2086.81175352 2.00335628 122.000101645264 122.000101645264 244.000203290528 -168.843852394265 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.4549 -675.9016 -675.8862 -675.8851 -525.0205 -524.8684 -523.4169 -523.2700 -523.1588 -523.1480 -394.8283 -394.5726 -287.2967 -284.1952 -283.8121 -283.5059 -283.3723 -282.5334 -282.1506 -282.0337 -281.4156 -281.2540 -280.8403 -280.6384 -280.5058 -280.4300 -280.4101 -280.3261 -279.8337 -279.5741 -279.5312 -279.3772 -260.7290 -199.5691 -199.3298 -199.3134 -39.8293 -37.2490 -37.2253 -34.2590 -33.6746 -33.2892 -32.3116 -31.5192 -31.3105 -30.4675 -29.6326 -28.0692 -26.4807 -25.9461 -25.8134 -24.9899 -24.5817 -24.2490 -23.2208 -23.0066 -22.6593 -22.1518 -21.7939 -21.5756 -21.0891 -20.3126 -20.1484 -19.9695 -19.7828 -19.7663 -19.3764 -18.7334 -18.4134 -18.1785 -18.0848 -17.2345 -16.9450 -16.7671 -16.7009 -16.5654 -16.4025 -16.3038 -16.2921 -16.0922 -15.8240 -15.8118 -15.7571 -15.4634 -15.3645 -15.2678 -15.1137 -15.0004 -14.9184 -14.8193 -14.7288 -14.6110 -14.5508 -14.3295 -14.2234 -13.9947 -13.9524 -13.7128 -13.6286 -13.5282 -13.3943 -13.3184 -13.0739 -12.9368 -12.8727 -12.5913 -12.5189 -12.4278 -12.2159 -12.0189 -11.7469 -11.3005 -11.2575 -11.0246 -10.9249 -10.6957 -10.5745 -10.5238 -9.9476 -9.8710 -9.4035 -9.3894 0.1778 0.4147 1.0792 2.0365 2.0743 2.2501 2.7151 2.9866 3.3780 3.5670 4.1232 4.2398 4.2691 4.4671 4.5669 4.6288 4.6822 4.7456 4.8667 4.9219 5.0352 5.0358 5.2859 5.3480 5.3957 5.5640 5.6917 5.8021 5.8843 6.0197 6.0723 6.1609 6.2482 6.2934 6.3778 6.4335 6.6023 6.6773 6.8139 6.9320 7.0553 7.0796 7.1564 7.2064 7.3521 7.3957 7.6825 7.7449 7.8866 7.9469 8.0235 8.1660 8.2847 8.4092 8.4634 8.5430 8.6260 8.8203 8.9394 9.0516 9.0718 9.1101 9.2623 9.2877 9.3221 9.4351 9.4806 9.6801 9.7944 10.0803 10.1166 10.2341 10.2855 10.3497 10.5390 10.5813 10.6910 10.7458 10.8441 10.8928 10.9705 11.1203 11.2201 11.2838 11.3808 11.4102 11.5131 11.6517 11.7919 11.8369 11.9165 12.0896 12.1199 12.2498 12.3128 12.4250 12.4835 12.6555 12.7586 12.9290 13.0419 13.0618 13.1330 13.2950 13.3542 13.5651 13.6671 13.7155 13.7468 13.8840 13.9231 13.9921 14.1208 14.1766 14.2540 14.3437 14.4385 14.4623 14.5354 14.6463 14.7283 14.8219 14.9061 14.9920 15.0447 15.1309 15.1669 15.2219 15.3280 15.4225 15.4682 15.6646 15.7982 15.8926 15.9849 16.0638 16.2130 16.2903 16.4860 16.5689 16.7092 16.7888 16.8853 17.1286 17.2255 17.3312 17.4292 17.5329 17.7188 17.7330 17.8991 18.0058 18.1024 18.2409 18.3364 18.4343 18.4755 18.5248 18.6299 18.6914 18.8175 18.8934 19.1054 19.1571 19.3704 19.7226 19.7634 19.8771 20.0273 20.1039 20.2822 20.3805 20.4330 20.6570 20.8155 20.9155 20.9683 21.0641 21.2039 21.2747 21.4245 21.4696 21.5852 21.7505 21.7925 21.9015 22.1123 22.2824 22.4110 22.4997 22.6202 22.7552 22.8824 23.0075 23.0614 23.3370 23.4415 23.6590 23.7455 23.8488 23.8802 24.2079 24.3458 24.4285 24.4873 24.5386 24.6677 24.6850 24.9203 25.2007 25.2132 25.3576 25.4610 25.7238 25.7534 25.8952 25.9558 26.1039 26.2592 26.3640 26.5656 26.6336 26.8055 26.9415 26.9653 27.0507 27.1809 27.2586 27.3487 27.5333 27.6910 27.8491 27.9239 28.0825 28.1724 28.2597 28.4491 28.5172 28.5471 28.6909 28.8984 29.0316 29.2321 29.3058 29.5042 29.6033 29.7426 30.0478 30.0880 30.1792 30.1955 30.3065 30.4862 30.5705 30.7065 30.8134 30.9229 31.0851 31.1270 31.4545 31.4687 31.5918 31.8077 31.9988 32.1569 32.2426 32.4024 32.5297 32.6289 32.8208 32.9486 33.0441 33.1048 33.2037 33.3953 33.4571 33.5956 33.7076 33.9225 33.9349 34.0520 34.0713 34.2916 34.4530 34.6220 34.9437 35.1228 35.2572 35.4099 35.6556 35.7586 35.8451 35.9828 36.2182 36.3375 36.4617 36.5054 36.7600 36.8149 36.8529 37.1322 37.2366 37.4473 37.4871 37.7318 37.8148 37.8598 37.9697 38.0262 38.1042 38.3291 38.5012 38.6390 38.7359 39.0749 39.4066 39.6045 39.6888 39.8842 40.1769 40.2578 40.3263 40.4944 40.5546 40.7805 40.9232 40.9651 41.1305 41.3555 41.5573 41.6066 41.8072 41.8816 41.9781 42.0859 42.1403 42.2893 42.4990 42.6100 42.7881 42.8891 43.0033 43.0815 43.1745 43.3219 43.4449 43.5797 43.7335 43.8457 43.9725 44.2563 44.3043 44.4061 44.4940 44.7087 44.7401 44.8118 44.9412 45.1586 45.3618 45.3781 45.5010 45.6148 45.8041 45.8464 46.0731 46.2104 46.3367 46.3681 46.5259 46.6000 46.8797 47.1475 47.2021 47.3492 47.4760 47.6767 47.8743 48.0884 48.1282 48.3686 48.5977 48.9019 48.9832 49.1929 49.3748 49.4421 49.5418 49.7543 49.8630 49.9376 50.3077 50.4230 50.6428 50.7030 50.9377 51.0474 51.2269 51.4922 51.5940 51.8410 51.9986 52.2775 52.3538 52.5644 52.7023 52.9725 53.0861 53.2412 53.4878 53.5412 53.7486 54.0093 54.2518 54.6078 54.9893 55.1905 55.4294 55.5378 55.6091 55.7831 56.0156 56.2645 56.3275 56.4607 56.6175 56.7967 57.0888 57.3174 57.4992 57.6495 57.8021 57.9528 58.2108 58.3961 58.4321 58.7453 58.8239 58.8907 59.0530 59.2783 59.4121 59.7097 59.7704 59.9392 60.0969 60.2455 60.5145 60.7513 60.9155 61.1684 61.3877 61.6389 61.6691 61.8250 61.9188 62.1984 62.3165 62.5085 62.6312 62.7324 62.7889 62.9619 63.4289 63.5234 63.8297 63.9239 64.3724 64.4216 64.6863 64.8921 65.1291 65.2403 65.3342 65.5599 65.7059 65.7393 65.9155 66.2055 66.3598 66.5704 66.6970 66.7789 66.8877 67.0864 67.1957 67.2647 67.5683 67.5931 67.7941 68.0071 68.3184 68.6237 68.8079 68.8907 69.2982 69.5224 70.2401 70.3553 70.6443 70.9299 71.0570 71.2544 71.6692 71.6818 71.8268 72.0003 72.3169 72.5381 72.6230 72.9787 73.4134 73.4802 73.6967 73.8354 74.0228 74.3634 74.4877 74.5520 74.5640 75.1616 75.3968 75.5902 75.9156 76.0033 76.2209 76.3211 76.4035 76.5312 76.6466 76.7843 77.0782 77.1199 77.2995 77.5701 77.8656 77.9950 78.3072 78.4740 78.5421 78.5995 78.7222 78.9924 79.0495 79.2088 79.3272 79.3429 79.4710 79.5520 79.6200 79.7684 79.8696 80.0081 80.0921 80.1515 80.2181 80.2631 80.2794 80.4522 80.6296 80.7423 80.9413 81.0928 81.2114 81.2981 81.3652 81.4619 81.5919 81.8019 81.8700 82.1750 82.3173 82.4643 82.7275 82.8066 82.8716 83.0870 83.1139 83.2774 83.3092 83.4655 83.5430 83.6565 83.9170 84.0083 84.1038 84.2777 84.4002 84.5128 84.6809 84.7775 84.9068 85.0873 85.2763 85.4465 85.5061 85.5916 85.7595 85.9395 86.0600 86.1484 86.2810 86.3921 86.4591 86.4933 86.6247 86.8595 86.9383 87.1198 87.3791 87.5029 87.5467 87.5884 87.7470 87.8780 88.0822 88.1736 88.3769 88.4659 88.5338 88.5732 88.7712 88.9998 89.0423 89.2322 89.3497 89.4452 89.6424 89.7452 89.9026 90.0099 90.1082 90.1936 90.2187 90.3794 90.5377 90.6768 90.7674 90.9574 91.2022 91.2664 91.3189 91.5011 91.5637 91.6833 91.8200 91.9055 92.0358 92.1914 92.4604 92.5155 92.6460 92.6955 92.7949 92.9742 93.1291 93.4185 93.5650 93.6218 93.7148 93.7729 93.8923 94.0938 94.3025 94.4285 94.4660 94.5565 94.5964 94.6555 94.7523 94.7992 95.1009 95.2258 95.3070 95.3578 95.4376 95.6191 95.8535 95.9994 96.0656 96.1444 96.3602 96.5028 96.9354 96.9767 97.0970 97.1853 97.2568 97.3585 97.5613 97.5945 97.7778 97.9616 98.0733 98.2429 98.3693 98.4039 98.6512 98.7068 98.8256 99.0302 99.2454 99.3345 99.5896 99.7748 100.0247 100.0895 100.1651 100.4709 100.5522 100.6992 100.9100 100.9842 101.1305 101.4113 101.4929 101.5638 101.8040 101.8312 102.2654 102.3856 102.5703 102.6998 102.8756 103.0812 103.1517 103.5272 103.5844 103.6946 103.8265 103.9302 104.1669 104.3127 104.4132 104.6016 104.6826 104.7736 104.9493 105.2408 105.2931 105.5564 105.6066 105.8042 105.9260 106.2003 106.2519 106.5809 106.7296 106.7672 106.8818 106.9229 107.1895 107.4317 107.4718 107.7066 108.0879 108.1692 108.2648 108.4708 108.6177 108.6576 108.8699 109.1359 109.3924 109.6153 109.8916 110.0119 110.1930 110.4553 110.4703 110.6045 110.8136 110.8237 110.8841 111.1020 111.2759 111.3775 111.5463 111.8252 112.1204 112.1820 112.4263 112.4831 112.6120 113.1093 113.1597 113.2768 113.4926 113.5269 113.6496 113.8625 114.0290 114.1236 114.4713 114.5083 114.6470 114.8271 114.9502 115.1603 115.3075 115.3739 115.6289 115.6756 115.7804 115.9144 116.0623 116.1106 116.4705 116.4871 116.8460 116.8806 117.3053 117.4620 117.5708 117.6666 117.7148 117.9469 118.0829 118.3513 118.3987 118.6327 118.6820 118.7518 119.0898 119.1519 119.3967 119.5427 119.8102 119.9137 119.9363 120.3308 120.5166 120.7329 120.8266 121.0045 121.5472 121.6003 121.6701 121.9603 122.2825 122.4022 122.7065 123.1833 123.3316 123.6823 123.8081 123.8552 124.3306 124.3776 124.6133 124.9195 125.1207 125.6011 125.8699 126.0244 126.4567 126.4819 126.5769 126.9151 127.2184 127.2997 127.5740 127.8864 128.2417 128.4869 128.6217 128.9225 129.0579 129.5045 129.6410 130.2764 130.3608 130.6181 130.8693 131.0059 131.3793 131.5530 131.7589 131.9903 132.0649 132.4764 132.7748 133.1139 133.1586 133.4022 133.6355 133.8498 133.9559 134.1169 134.1830 135.0558 135.5692 135.5991 136.1557 136.4374 136.4714 136.6066 136.6780 136.9765 137.4361 137.5360 137.8986 138.1469 138.3870 138.5874 139.1014 139.1695 139.5854 140.2683 140.5085 140.9078 141.1482 141.2744 141.3943 142.2052 142.5026 142.6022 142.7084 142.8176 142.9286 143.3906 143.4108 143.5343 143.6519 144.1283 144.3754 144.4849 144.7257 144.8347 144.8923 145.1882 145.3415 145.4631 145.7562 145.7934 145.8712 146.1152 146.3448 146.7829 147.1641 147.3783 147.7837 148.0459 148.1958 148.4608 148.6000 148.6482 148.9735 149.1717 149.3791 149.6616 149.7723 149.8575 150.0376 150.1157 150.2693 150.4528 150.4815 150.7116 150.9354 151.0125 151.2560 151.3623 151.6158 151.7831 152.1489 152.3653 152.6207 153.0891 153.2857 153.3833 153.5226 154.3377 154.5467 154.7778 155.0037 155.4183 155.5746 156.0935 156.3181 156.6639 156.9349 156.9646 157.1274 157.2991 157.3963 157.8494 158.2750 158.5797 159.0408 159.1585 159.3826 160.5530 160.6740 160.9825 161.3367 161.8704 162.3299 163.8688 164.0311 164.8572 165.6639 166.1604 167.1371 167.5902 168.5322 168.6279 169.0698 169.8682 171.1991 171.7994 172.1271 172.4036 172.9702 173.7623 174.5347 175.1776 176.0669 176.8660 176.9893 177.6533 177.9607 178.2169 178.9671 179.3092 179.4656 179.6835 181.0228 182.7524 183.4337 185.6545 185.8922 186.2483 187.0199 187.0569 187.3945 187.9085 188.0197 188.0601 188.1200 188.1685 188.4011 188.4390 188.5929 188.6736 188.9644 189.0186 189.0976 189.2269 191.2148 191.9581 192.1517 192.3028 193.0074 193.6251 194.3175 194.3240 194.4288 195.3671 195.4060 195.8690 196.0471 196.2397 196.5786 198.3526 198.7269 199.4198 201.1886 202.7372 203.0355 204.8649 204.9184 205.3354 206.6101 207.2196 207.9582 209.1013 210.1422 222.4580 223.8270 224.2203 227.3262 227.8799 228.4016 228.7977 230.2736 232.4133 233.4253 235.3375 238.8140 240.7189 241.7955 244.3527 245.9417 246.9549 247.2316 250.1707 251.3509 295.7031 299.3627 313.2345 615.8385 622.6788 623.5326 624.8202 625.8109 627.7044 631.8232 634.1957 636.5042 637.1242 637.7300 642.5841 643.8859 644.1766 645.9758 647.3826 647.5787 650.4298 650.5011 653.5120 716.7614 902.7823 907.4323 1199.2465 1199.6126 1200.5158 1201.1909 1210.9876 1214.1646 1557.5405 1559.8069 1565.1626 -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 Cl F F F O O O O O O N N 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 -0.060507 -0.161993 -0.158648 -0.161747 -0.276747 -0.264949 -0.465154 -0.461183 -0.433360 -0.432265 -0.061046 -0.093354 0.317145 0.058717 0.006970 0.400188 -0.311318 -0.295440 0.045323 -0.121959 0.349811 -0.156417 0.339521 -0.170634 0.439613 0.033719 -0.208753 -0.114048 0.540150 0.083269 -0.218779 -0.241023 0.113159 0.113511 0.107058 0.114224 0.112700 0.111751 0.141316 0.138545 0.153946 0.139550 0.116214 0.140253 0.140147 0.111065 0.110671 0.140722 0.130405 0.119661 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 Cl F F F O O O O O O N N 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 17.0605 9.1620 9.1586 9.1617 8.2767 8.2649 8.4652 8.4612 8.4334 8.4323 7.0610 7.0934 5.6829 5.9413 5.9930 5.5998 6.3113 6.2954 5.9547 6.1220 5.6502 6.1564 5.6605 6.1706 5.5604 5.9663 6.2088 6.1140 5.4598 5.9167 6.2188 6.2410 0.8868 0.8865 0.8929 0.8858 0.8873 0.8882 0.8587 0.8615 0.8461 0.8605 0.8838 0.8597 0.8599 0.8889 0.8893 0.8593 0.8696 0.8803 17.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 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 -0.0605 -0.1620 -0.1586 -0.1617 -0.2767 -0.2649 -0.4652 -0.4612 -0.4334 -0.4323 -0.0610 -0.0934 0.3171 0.0587 0.0070 0.4002 -0.3113 -0.2954 0.0453 -0.1220 0.3498 -0.1564 0.3395 -0.1706 0.4396 0.0337 -0.2088 -0.1140 0.5402 0.0833 -0.2188 -0.2410 0.1132 0.1135 0.1071 0.1142 0.1127 0.1118 0.1413 0.1385 0.1539 0.1395 0.1162 0.1403 0.1401 0.1111 0.1107 0.1407 0.1304 0.1197 1.2575 1.1460 1.1522 1.1462 2.1724 2.1449 2.0536 2.0515 2.0865 2.0680 3.1137 3.3414 3.8009 3.6832 3.9853 4.2453 3.9442 3.9298 3.6784 4.1048 4.2130 3.8741 4.1968 4.1015 4.1198 3.9694 3.8383 3.9959 4.4078 3.8144 3.8793 3.9469 1.0043 1.0152 1.0102 1.0063 1.0118 1.0037 1.0270 1.0219 1.0028 0.9962 1.0256 0.9922 1.0095 1.0035 0.9975 1.0025 1.0024 1.0087 1.2575 1.1460 1.1522 1.1462 2.1724 2.1449 2.0536 2.0515 2.0865 2.0680 3.1137 3.3414 3.8009 3.6832 3.9853 4.2453 3.9442 3.9298 3.6784 4.1048 4.2130 3.8741 4.1968 4.1015 4.1198 3.9694 3.8383 3.9959 4.4078 3.8144 3.8793 3.9469 1.0043 1.0152 1.0102 1.0063 1.0118 1.0037 1.0270 1.0219 1.0028 0.9962 1.0256 0.9922 1.0095 1.0035 0.9975 1.0025 1.0024 1.0087 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 1.1108 1.1308 1.1478 1.1312 0.8646 1.2035 1.2200 0.8336 1.9010 1.8984 1.9543 1.8726 0.7899 1.1491 1.1022 1.1994 1.1562 0.8805 0.9712 0.9406 0.9345 1.4673 1.4171 1.6685 0.9879 0.9927 0.9769 0.9769 0.9780 0.9771 0.9878 1.4168 0.9382 1.3180 0.9502 1.1252 0.9637 1.4673 0.9754 1.4034 0.9729 0.9710 0.9746 0.9746 0.9701 0.9830 0.9701 1.9090 0.9736 0.9922 0.9961 0 25 1 28 2 28 3 28 4 12 4 24 5 22 5 29 6 15 7 20 8 22 9 24 10 13 10 15 10 20 11 14 11 15 11 26 12 16 12 17 12 22 13 19 13 23 14 21 14 28 16 32 16 33 16 34 17 35 17 36 17 37 18 19 18 24 18 25 19 38 20 21 21 39 23 27 23 40 25 27 26 41 26 42 26 43 27 44 29 30 29 45 29 46 30 31 30 47 31 48 31 49 -0.027394647 -2093.843066609278 46.01750 -47.57934 -1.56184 8.20040 -9.65158 -1.45119 9.98339 -9.36744 0.61595 2.21916 5.64067