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:3.4558,-3.1214,-.5893;-5.8574,2.1062,-.3762;-6.5743,.4246,-1.4921;-6.5875,.3521,.6476;3.8924,-.3103,-.159;3.5993,1.8179,1.3513;-1.7477,-.2396,1.707;-2.2747,-1.5306,-2.5957;4.9465,3.0394,.0501;2.5596,1.0864,-1.2749;-2.005,-.854,-.4497;-3.6997,.3179,.6823;4.9793,.6351,-.1504;-.6794,-1.3833,-.4441;-4.4919,.1863,-.4315;-2.4433,-.2572,.7166;5.599,.7735,-1.5304;5.9897,.062,.8376;1.6981,-1.0144,-.6145;.3917,-.5298,-.6049;-2.7439,-.9842,-1.6202;-4.073,-.4312,-1.5462;4.4947,1.9795,.3951;-.4749,-2.745,-.307;2.7585,.0225,-.7419;1.8952,-2.392,-.495;-4.1312,.9804,1.9165;.8126,-3.2476,-.3457;-5.8907,.772,-.4081;3.0248,2.9703,1.9605;1.7954,2.5785,2.7044;1.2207,1.3831,2.7314;6.5217,1.3488,-1.4686;5.8556,-.2146,-1.913;4.9461,1.2633,-2.2496;6.832,.7444,.9457;5.5515,-.1001,1.8223;6.3745,-.8893,.4688;.2175,.5327,-.7136;-4.6968,-.5305,-2.4201;-1.3121,-3.4183,-.1781;-4.735,1.8538,1.7003;-4.6794,.2951,2.5603;-3.2549,1.3302,2.4493;.9743,-4.3132,-.2617;2.7738,3.7208,1.2049;3.75,3.4301,2.639;1.3502,3.3995,3.2574;.3202,1.2266,3.3103;1.6147,.5192,2.212; 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 3570.7752870035 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 6.048e-06 Time for diagonalization 0.569 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.277 sec Total time needed 0.852 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:3.4558,-3.1214,-.5893;-5.8574,2.1062,-.3762;-6.5743,.4246,-1.4921;-6.5875,.3521,.6476;3.8924,-.3103,-.159;3.5993,1.8179,1.3513;-1.7477,-.2396,1.707;-2.2747,-1.5306,-2.5957;4.9465,3.0394,.0501;2.5596,1.0864,-1.2749;-2.005,-.854,-.4497;-3.6997,.3179,.6823;4.9793,.6351,-.1504;-.6794,-1.3833,-.4441;-4.4919,.1863,-.4315;-2.4433,-.2572,.7166;5.599,.7735,-1.5304;5.9897,.062,.8376;1.6981,-1.0144,-.6145;.3917,-.5298,-.6049;-2.7439,-.9842,-1.6202;-4.073,-.4312,-1.5462;4.4947,1.9795,.3951;-.4749,-2.745,-.307;2.7585,.0225,-.7419;1.8952,-2.392,-.495;-4.1312,.9804,1.9165;.8126,-3.2476,-.3457;-5.8907,.772,-.4081;3.0248,2.9703,1.9605;1.7954,2.5785,2.7044;1.2207,1.3831,2.7314;6.5217,1.3488,-1.4686;5.8556,-.2146,-1.913;4.9461,1.2633,-2.2496;6.832,.7444,.9457;5.5515,-.1001,1.8223;6.3745,-.8893,.4688;.2175,.5327,-.7136;-4.6968,-.5305,-2.4201;-1.3121,-3.4183,-.1781;-4.735,1.8538,1.7003;-4.6794,.2951,2.5603;-3.2549,1.3302,2.4493;.9743,-4.3132,-.2617;2.7738,3.7208,1.2049;3.75,3.4301,2.639;1.3502,3.3995,3.2574;.3202,1.2266,3.3103;1.6147,.5192,2.212; 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:3.4558,-3.1214,-.5893;-5.8574,2.1062,-.3762;-6.5743,.4246,-1.4921;-6.5875,.3521,.6476;3.8924,-.3103,-.159;3.5993,1.8179,1.3513;-1.7477,-.2396,1.707;-2.2747,-1.5306,-2.5957;4.9465,3.0394,.0501;2.5596,1.0864,-1.2749;-2.005,-.854,-.4497;-3.6997,.3179,.6823;4.9793,.6351,-.1504;-.6794,-1.3833,-.4441;-4.4919,.1863,-.4315;-2.4433,-.2572,.7166;5.599,.7735,-1.5304;5.9897,.062,.8376;1.6981,-1.0144,-.6145;.3917,-.5298,-.6049;-2.7439,-.9842,-1.6202;-4.073,-.4312,-1.5462;4.4947,1.9795,.3951;-.4749,-2.745,-.307;2.7585,.0225,-.7419;1.8952,-2.392,-.495;-4.1312,.9804,1.9165;.8126,-3.2476,-.3457;-5.8907,.772,-.4081;3.0248,2.9703,1.9605;1.7954,2.5785,2.7044;1.2207,1.3831,2.7314;6.5217,1.3488,-1.4686;5.8556,-.2146,-1.913;4.9461,1.2633,-2.2496;6.832,.7444,.9457;5.5515,-.1001,1.8223;6.3745,-.8893,.4688;.2175,.5327,-.7136;-4.6968,-.5305,-2.4201;-1.3121,-3.4183,-.1781;-4.735,1.8538,1.7003;-4.6794,.2951,2.5603;-3.2549,1.3302,2.4493;.9743,-4.3132,-.2617;2.7738,3.7208,1.2049;3.75,3.4301,2.639;1.3502,3.3995,3.2574;.3202,1.2266,3.3103;1.6147,.5192,2.212; 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 2892 GEPOL Volume 2977.4600 GEPOL Surface-area 1652.5521 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.8s -2093.81606825 3570.77528700 -5664.59135525 -9978.83476611 4314.24341085 -0.04541523 -4180.63297222 2086.81690397 2.00335399 121.999786437193 121.999786437193 243.999572874387 -168.849706908873 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 -2765.4551 -675.9075 -675.9050 -675.8857 -525.0079 -524.8973 -523.3668 -523.3027 -523.1784 -523.1397 -394.8438 -394.5609 -287.3018 -284.1833 -283.7972 -283.5529 -283.3636 -282.5425 -282.1592 -282.0709 -281.4001 -281.3196 -280.8546 -280.6937 -280.4850 -280.4310 -280.4233 -280.3326 -279.8710 -279.5402 -279.3931 -279.3925 -260.7303 -199.5706 -199.3320 -199.3135 -39.8286 -37.2568 -37.2290 -34.2977 -33.7086 -33.2983 -32.3123 -31.4887 -31.3814 -30.4738 -29.6446 -28.0704 -26.4903 -25.9646 -25.8236 -24.9466 -24.5912 -24.2524 -23.2204 -23.0240 -22.6447 -22.1637 -21.7867 -21.5838 -21.1074 -20.4513 -20.1877 -19.9409 -19.9071 -19.7864 -19.3823 -18.7954 -18.5555 -18.1791 -17.7538 -17.2168 -16.9524 -16.7746 -16.7016 -16.6169 -16.3680 -16.3338 -16.3128 -16.0929 -15.8233 -15.7499 -15.6467 -15.4833 -15.3580 -15.2159 -15.1516 -14.9806 -14.9397 -14.8321 -14.7659 -14.6693 -14.5701 -14.4306 -14.2270 -14.0705 -13.9776 -13.8456 -13.6716 -13.4781 -13.2502 -13.2047 -13.1315 -13.0890 -12.9393 -12.5656 -12.5423 -12.3347 -12.2483 -12.1347 -11.5207 -11.3398 -11.2862 -11.2454 -10.8919 -10.6981 -10.5277 -10.4010 -9.9472 -9.7173 -9.4357 -9.3871 0.1698 0.3058 1.0648 1.9804 2.1861 2.4010 2.8512 3.1013 3.2299 3.5438 3.8606 4.1372 4.2255 4.4065 4.5313 4.5853 4.7004 4.7667 4.8999 4.9810 4.9926 5.0473 5.2937 5.3833 5.5070 5.5895 5.6477 5.8739 5.9549 6.0534 6.0824 6.1493 6.3083 6.3630 6.4747 6.5317 6.6577 6.7243 6.8311 6.9473 7.0809 7.1586 7.2226 7.3358 7.4829 7.6033 7.6382 7.7985 7.9603 8.0958 8.1905 8.3199 8.3421 8.4246 8.5088 8.6360 8.6841 8.8612 8.9567 9.0176 9.0692 9.1850 9.3564 9.4115 9.5955 9.6819 9.8244 9.8968 9.9790 10.0910 10.1752 10.2097 10.3042 10.4309 10.5517 10.6748 10.7963 10.8506 10.9135 11.0045 11.1585 11.3187 11.4134 11.4274 11.5394 11.6059 11.6126 11.7208 11.7739 11.9967 12.0625 12.1627 12.2060 12.3432 12.5015 12.5735 12.6845 12.7090 12.8448 12.9626 13.0568 13.2327 13.3384 13.4700 13.5559 13.6147 13.6463 13.7998 13.8485 13.9748 14.0467 14.0567 14.2284 14.3288 14.3664 14.4447 14.4721 14.4777 14.5015 14.5925 14.7742 14.8334 14.8939 14.9845 15.0316 15.1605 15.2682 15.4205 15.5331 15.6623 15.7674 15.8531 15.8736 15.9927 16.1149 16.3214 16.4548 16.4829 16.6651 16.7840 16.8281 16.9423 17.0365 17.2182 17.2888 17.4164 17.5400 17.5992 17.6170 17.7125 17.9742 17.9999 18.1861 18.2372 18.4428 18.5509 18.6520 18.7003 18.7450 18.9903 19.0695 19.1107 19.3333 19.3532 19.4843 19.7180 19.8747 19.9826 20.0736 20.1527 20.4055 20.6479 20.7306 20.9567 21.0765 21.1710 21.2844 21.3915 21.5508 21.5904 21.7666 21.7782 21.9148 22.0499 22.1523 22.2815 22.3647 22.4590 22.5535 22.6726 22.8027 22.8505 23.0180 23.1383 23.2548 23.3882 23.5751 23.7032 23.8239 23.9484 24.0863 24.1417 24.3386 24.4813 24.5379 24.5909 24.8766 25.0386 25.0649 25.1565 25.4256 25.5057 25.5594 25.7168 25.9130 26.0637 26.1130 26.2113 26.3837 26.4161 26.6042 26.6829 26.9302 26.9635 26.9881 27.0955 27.1883 27.2663 27.7045 27.7582 27.8788 27.9806 28.0907 28.1649 28.2107 28.4035 28.4435 28.5633 28.6542 28.9129 29.1034 29.2244 29.3820 29.4634 29.6211 29.8172 29.9140 30.1080 30.1497 30.3371 30.4739 30.5426 30.5832 30.6501 30.7386 30.9398 30.9982 31.0730 31.2832 31.5117 31.6741 31.7757 31.9572 32.1358 32.2120 32.4190 32.5666 32.6231 32.7671 32.8718 32.9740 33.0811 33.2413 33.4221 33.5709 33.6772 33.8779 33.9072 33.9810 34.2794 34.4510 34.5018 34.6902 34.7756 34.8880 35.0070 35.3254 35.5652 35.6970 35.7391 35.8584 35.9785 36.0957 36.2479 36.3933 36.5697 36.8378 37.0356 37.1351 37.1864 37.4388 37.6234 37.6510 37.8108 37.8542 38.0350 38.1542 38.2106 38.4721 38.5517 38.6201 38.6542 38.9186 39.1946 39.2209 39.4086 39.5250 39.7466 39.9135 40.0710 40.2660 40.3845 40.5008 40.7511 40.9571 41.0277 41.1188 41.2575 41.5793 41.5926 41.6683 41.7789 41.8967 42.1213 42.1928 42.5770 42.6004 42.7633 42.8283 42.8830 42.9413 43.0667 43.2540 43.4641 43.5779 43.6885 43.8845 43.9671 44.1610 44.2443 44.3204 44.3560 44.4924 44.6725 44.8646 44.8926 45.1362 45.2247 45.4016 45.5323 45.5927 45.7062 45.7964 45.9189 46.2290 46.3220 46.4380 46.6004 46.7209 46.8001 47.1239 47.2447 47.4835 47.5816 47.6842 47.9365 48.1106 48.3067 48.5309 48.6725 48.7450 49.0252 49.0801 49.2511 49.3442 49.4075 49.6881 49.8674 49.9293 50.1745 50.3129 50.5154 50.6176 50.7078 50.9019 51.1267 51.2733 51.4006 51.5417 51.6257 51.8725 52.2481 52.3599 52.4327 52.6843 52.8248 53.0115 53.1747 53.3286 53.3979 53.6816 54.0734 54.3117 54.6553 54.8436 55.3099 55.4546 55.6445 55.7443 55.8904 56.0177 56.4505 56.4770 56.6278 56.8319 56.9914 57.1193 57.3211 57.4374 57.5557 57.6320 58.0561 58.1878 58.2349 58.3884 58.5805 58.6949 58.8123 58.8688 59.1574 59.4024 59.4995 59.5927 59.8621 60.0630 60.0805 60.3836 60.8155 60.8206 60.9362 61.1797 61.4127 61.4933 61.7823 61.9811 62.2347 62.2956 62.5052 62.5938 62.9509 63.0748 63.3105 63.3904 63.5382 63.6439 63.7873 63.9080 64.2036 64.5725 64.6558 64.8343 64.8614 65.1245 65.3319 65.4551 65.6210 65.8157 66.0611 66.0887 66.2566 66.4588 66.5526 66.7302 66.8596 67.0358 67.1772 67.2290 67.5693 67.7067 67.7320 68.0343 68.3256 68.5823 68.9930 69.1383 69.3628 69.9782 70.2114 70.3442 70.5927 70.9900 71.1546 71.2567 71.6432 71.8930 72.0265 72.1334 72.2547 72.4658 72.9491 73.2020 73.3498 73.5994 73.8762 73.9321 74.1418 74.3118 74.4840 74.5812 75.0304 75.2710 75.5072 75.6028 75.8273 76.0375 76.3198 76.4596 76.4870 76.6251 76.7683 76.9934 77.0925 77.3255 77.4206 77.6292 77.7187 77.8278 78.0309 78.1061 78.4241 78.4461 78.6571 78.9058 78.9346 79.0775 79.1598 79.3372 79.5011 79.5417 79.6624 79.7739 79.8786 80.0478 80.1453 80.4041 80.4774 80.5434 80.5636 80.7221 80.8709 80.9960 81.1639 81.2582 81.3468 81.4610 81.5550 81.7466 81.8204 82.0206 82.1432 82.3189 82.4487 82.5052 82.7232 82.8289 82.9439 83.1539 83.2466 83.3947 83.4963 83.6825 83.8297 83.9815 84.0887 84.2094 84.2787 84.4657 84.5257 84.6051 84.7340 84.8766 85.0479 85.1631 85.2996 85.3513 85.5878 85.7256 85.8497 85.9729 86.1730 86.3043 86.4059 86.5992 86.6999 86.8553 86.9287 87.0198 87.2233 87.2996 87.4106 87.5878 87.6761 87.8466 87.9240 88.0863 88.1472 88.2345 88.3529 88.5397 88.6877 88.8589 88.8875 89.0470 89.1224 89.2663 89.4410 89.5854 89.7286 89.8442 89.9456 90.1195 90.1562 90.2742 90.3443 90.4685 90.7169 90.7346 90.8762 90.9185 91.0494 91.1348 91.3620 91.4039 91.6169 91.8375 91.8834 91.9739 92.1672 92.2048 92.3518 92.5887 92.6778 92.8814 92.9718 93.0487 93.2357 93.3046 93.4194 93.6671 93.7045 93.8639 94.0170 94.1767 94.2459 94.3761 94.4591 94.5471 94.7326 94.8756 95.0362 95.0991 95.2129 95.3674 95.5041 95.5931 95.7173 95.8425 96.0717 96.2112 96.4880 96.6672 96.7950 96.8024 97.1012 97.1309 97.3026 97.3652 97.5316 97.6849 97.8153 97.9875 98.0841 98.1191 98.2719 98.3224 98.4904 98.6476 98.7730 99.0428 99.1064 99.1512 99.3243 99.6200 99.6934 99.7999 99.9232 100.1048 100.2285 100.3672 100.7053 100.7862 100.8236 100.8974 101.0650 101.2727 101.3111 101.7786 101.9215 102.0589 102.2271 102.3360 102.4499 102.6707 102.9399 102.9959 103.1392 103.3802 103.5048 103.8745 103.9376 104.0866 104.2506 104.3412 104.5054 104.7299 104.8391 104.9136 105.0589 105.0998 105.2334 105.3692 105.4928 105.6910 105.8826 106.1044 106.2741 106.4985 106.7067 107.0974 107.1575 107.2820 107.5088 107.6856 107.8808 107.9907 108.3686 108.4602 108.5172 108.6150 108.9826 109.0218 109.2437 109.3868 109.7762 109.8119 109.9316 110.0488 110.1057 110.2517 110.4401 110.6748 110.7259 110.8518 111.1536 111.3362 111.3926 111.5522 111.7070 111.9675 112.2965 112.2992 112.4924 112.7809 112.8899 113.0477 113.3121 113.4377 113.6108 113.6543 113.9597 114.0074 114.1209 114.2966 114.4043 114.6111 114.9182 115.0239 115.1251 115.2049 115.2448 115.4202 115.6815 115.8197 116.0093 116.0940 116.2803 116.2982 116.6584 116.6806 116.9902 117.0828 117.3118 117.4451 117.5637 117.6867 117.7674 117.8612 118.1593 118.3838 118.4360 118.4707 118.7497 118.7873 118.9975 119.2114 119.3427 119.5157 119.6321 120.1522 120.2511 120.3824 120.5403 120.5974 121.0448 121.1996 121.2670 121.6839 121.8894 122.0449 122.5203 122.7320 122.8709 123.0514 123.3929 123.6285 123.8449 124.1052 124.2859 124.4535 124.6115 125.0400 125.2420 125.6629 125.8569 126.0557 126.4975 126.5886 126.8437 127.1738 127.2169 127.7037 128.0652 128.5968 128.8505 128.9252 129.3497 129.4219 129.7319 130.0933 130.1716 130.5193 130.5971 130.8045 131.0747 131.3078 131.4493 131.6636 131.7774 132.1588 132.3838 132.6148 132.7481 133.0337 133.1997 133.3297 133.4930 133.8639 133.9185 134.2308 135.2532 135.6589 135.6764 135.9279 136.2666 136.4922 136.6272 136.8383 137.0737 137.2185 137.4031 137.8149 138.0370 138.2395 138.5696 138.8136 139.4217 139.6496 139.9478 140.1451 140.2845 140.9543 141.0035 141.2897 141.4645 141.8691 142.4022 142.5280 142.7888 142.8415 142.9045 143.3515 143.4785 143.5688 143.6941 143.8524 144.2946 144.5896 144.6414 145.0268 145.1078 145.3215 145.4646 145.5245 145.7103 145.9371 146.1399 146.2856 146.4625 146.6903 146.7863 147.4661 147.6535 147.9496 148.2446 148.3585 148.4253 148.7357 148.9291 148.9860 149.4330 149.7959 149.8754 150.0081 150.0694 150.3346 150.4643 150.5210 150.6964 150.8882 150.9344 151.1285 151.3384 151.5776 151.7318 152.2113 152.4472 152.5379 152.7881 153.0782 153.2056 153.5440 153.7138 154.2511 154.3811 154.5938 154.8340 155.2922 155.5379 156.0953 156.3431 156.5742 156.7050 157.2417 157.2962 157.4095 157.5252 157.7265 158.2556 158.5137 158.9931 159.1232 159.5897 159.7443 160.4634 160.9207 161.2958 161.8515 162.5478 163.7080 163.9395 165.0270 165.6878 166.1628 166.8364 167.3617 168.6562 168.9201 169.1489 170.6915 171.1574 171.8055 172.3077 172.5592 172.8454 174.2953 174.4930 175.9338 176.0640 177.0615 177.1935 177.6346 177.9708 178.5860 179.1517 179.2932 179.9247 180.2775 180.8407 182.9898 183.0886 185.4670 186.1719 186.5606 186.8420 187.0078 187.6290 187.8693 188.1396 188.1733 188.2209 188.3451 188.4560 188.5548 188.6386 188.7642 188.9563 189.0217 189.0937 189.2355 191.5457 191.9170 192.2098 192.8936 192.9244 194.0830 194.2635 194.3467 194.6594 195.2782 195.4115 196.0038 196.3550 196.6723 196.7336 198.4229 198.9350 199.7129 201.1105 202.6648 203.0146 204.7718 204.8632 205.8476 206.7804 207.3619 208.3915 209.1453 210.0601 222.2938 223.6770 224.2907 227.4786 227.9036 228.5263 228.8282 230.2082 232.3503 233.3565 235.2736 238.9172 240.7730 241.5465 244.1960 245.8275 246.8479 247.2048 250.1675 251.1946 295.2168 299.0284 313.1329 616.3865 622.9638 623.5224 625.7559 625.9582 627.8991 632.1026 634.2368 637.2910 637.4072 637.8174 643.0042 644.0697 644.3273 645.9320 646.7268 647.4089 650.1558 650.5566 653.9247 715.8196 902.9923 907.6514 1199.1007 1199.8909 1200.6459 1201.3348 1211.8916 1214.6073 1558.5750 1559.8869 1565.0526 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 -0.055538 -0.161955 -0.158703 -0.161314 -0.280268 -0.263014 -0.473139 -0.462921 -0.431405 -0.434398 -0.058475 -0.101457 0.309392 0.092903 0.010041 0.416651 -0.309991 -0.290728 0.057501 -0.166298 0.347711 -0.153806 0.335840 -0.181799 0.442634 0.038129 -0.190907 -0.104032 0.535697 0.094303 -0.171669 -0.299860 0.108747 0.111334 0.115306 0.111764 0.116670 0.109567 0.137042 0.138183 0.153349 0.128697 0.138641 0.116988 0.137785 0.104870 0.116537 0.133543 0.131138 0.120713 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 17.0555 9.1620 9.1587 9.1613 8.2803 8.2630 8.4731 8.4629 8.4314 8.4344 7.0585 7.1015 5.6906 5.9071 5.9900 5.5833 6.3100 6.2907 5.9425 6.1663 5.6523 6.1538 5.6642 6.1818 5.5574 5.9619 6.1909 6.1040 5.4643 5.9057 6.1717 6.2999 0.8913 0.8887 0.8847 0.8882 0.8833 0.8904 0.8630 0.8618 0.8467 0.8713 0.8614 0.8830 0.8622 0.8951 0.8835 0.8665 0.8689 0.8793 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 -0.0555 -0.1620 -0.1587 -0.1613 -0.2803 -0.2630 -0.4731 -0.4629 -0.4314 -0.4344 -0.0585 -0.1015 0.3094 0.0929 0.0100 0.4167 -0.3100 -0.2907 0.0575 -0.1663 0.3477 -0.1538 0.3358 -0.1818 0.4426 0.0381 -0.1909 -0.1040 0.5357 0.0943 -0.1717 -0.2999 0.1087 0.1113 0.1153 0.1118 0.1167 0.1096 0.1370 0.1382 0.1533 0.1287 0.1386 0.1170 0.1378 0.1049 0.1165 0.1335 0.1311 0.1207 1.2601 1.1444 1.1518 1.1496 2.1598 2.1487 2.0381 2.0487 2.0874 2.0669 3.1099 3.3604 3.8171 3.6215 3.9720 4.2160 3.9358 3.9219 3.6086 4.0907 4.2138 3.8721 4.2003 4.1302 4.1181 3.9845 3.8631 3.9820 4.4190 3.8505 3.8489 3.9453 1.0090 1.0055 1.0150 1.0069 1.0114 1.0037 1.0380 1.0219 1.0030 1.0064 0.9878 1.0101 1.0109 1.0006 0.9942 1.0024 1.0061 1.0101 1.2601 1.1444 1.1518 1.1496 2.1598 2.1487 2.0381 2.0487 2.0874 2.0669 3.1099 3.3604 3.8171 3.6215 3.9720 4.2160 3.9358 3.9219 3.6086 4.0907 4.2138 3.8721 4.2003 4.1302 4.1181 3.9845 3.8631 3.9820 4.4190 3.8505 3.8489 3.9453 1.0090 1.0055 1.0150 1.0069 1.0114 1.0037 1.0380 1.0219 1.0030 1.0064 0.9878 1.0101 1.0109 1.0006 0.9942 1.0024 1.0061 1.0101 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 1.1216 1.1272 1.1487 1.1313 0.8658 1.1982 1.1943 0.8729 1.8738 1.8952 1.9628 1.8690 0.7803 1.1587 1.0977 1.2095 1.1533 0.8936 0.9670 0.9372 0.9522 1.4468 1.4222 1.6634 0.9849 0.9750 0.9899 0.9792 0.9784 0.9780 0.9875 1.3997 0.9651 1.3070 0.9644 1.1274 0.9642 1.4639 0.9776 1.4032 0.9698 0.9756 0.9722 0.9755 0.9846 0.9731 0.9692 1.8880 0.9828 0.9971 0.9930 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 -0.029561347 -2093.845629595042 39.69729 -41.31841 -1.62112 11.11393 -11.48812 -0.37419 14.93124 -13.01627 1.91497 2.53676 6.44793