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 50 51 Cl F O O O O O N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 1 2 3 3 3 3 3 4 5 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 6 6 6 6 6 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.8289,1.2951,-2.1507;-.9783,2.6509,-1.5661;-2.2999,-1.4535,-2.1322;-1.9083,1.6516,1.1655;2.8341,-1.2378,-1.2961;2.8407,-1.5792,1.3052;1.789,-3.5515,1.1893;-1.7472,.1944,-.6156;-6.2722,-.9022,.0335;-5.8994,-.4965,1.4588;-5.082,-1.4932,-.7251;-4.8185,.5855,1.4792;-3.8707,-.6804,-.458;-3.7582,.2381,.5024;-2.59,-.7473,-1.2036;-2.3959,.8208,.4455;-.4211,.4425,-1.0012;.5344,-.5648,-.9268;-.0534,1.6933,-1.4596;1.848,-.3239,-1.3049;3.1402,1.036,2.5062;1.2518,1.9709,-1.8093;3.4137,-.2811,3.2278;2.193,.963,-1.7291;1.6765,1.4572,2.4587;2.6353,-1.4766,2.7256;1.5068,2.8541,1.8788;2.5607,-2.5338,-.8275;2.3398,-2.6138,.6704;-7.0878,-1.6265,.0515;-6.6436,-.0266,-.5066;-6.7831,-.1408,1.9903;-5.5384,-1.3739,2.0032;-4.8963,-2.5266,-.4146;-5.2841,-1.5345,-1.7981;-5.2408,1.5622,1.2213;-4.3932,.6967,2.4795;.2147,-1.5331,-.5652;3.537,.9932,1.4874;3.7177,1.8154,3.0128;3.1691,-.1802,4.2893;4.4835,-.5024,3.1832;1.5267,2.9614,-2.1465;1.0977,.7475,1.8602;1.2495,1.4251,3.4664;2.9801,-2.3881,3.2181;1.5651,-1.3744,2.9196;.4565,3.1378,1.8087;2.0072,3.6023,2.4973;1.9333,2.9219,.8761;3.4421,-3.1333,-1.0675;1.7124,-2.9956,-1.3409; 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 1676 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 222 Dim 1232 ENuc 3119.2303535382 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 6.756e-06 Time for diagonalization 0.528 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.266 sec Total time needed 0.801 sec 17 9 8 8 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.8289,1.2951,-2.1507;-.9783,2.6509,-1.5661;-2.2999,-1.4535,-2.1322;-1.9083,1.6516,1.1655;2.8341,-1.2378,-1.2961;2.8407,-1.5792,1.3052;1.789,-3.5515,1.1893;-1.7472,.1944,-.6156;-6.2722,-.9022,.0335;-5.8994,-.4965,1.4588;-5.082,-1.4932,-.7251;-4.8185,.5855,1.4792;-3.8707,-.6804,-.458;-3.7582,.2381,.5024;-2.59,-.7473,-1.2036;-2.3959,.8208,.4455;-.4211,.4425,-1.0012;.5344,-.5648,-.9268;-.0534,1.6933,-1.4596;1.848,-.3239,-1.3049;3.1402,1.036,2.5062;1.2518,1.9709,-1.8093;3.4137,-.2811,3.2278;2.193,.963,-1.7291;1.6765,1.4572,2.4587;2.6353,-1.4766,2.7256;1.5068,2.8541,1.8788;2.5607,-2.5338,-.8275;2.3398,-2.6138,.6704;-7.0878,-1.6265,.0515;-6.6436,-.0266,-.5066;-6.7831,-.1408,1.9903;-5.5384,-1.3739,2.0032;-4.8963,-2.5266,-.4146;-5.2841,-1.5345,-1.7981;-5.2408,1.5622,1.2213;-4.3932,.6967,2.4795;.2147,-1.5331,-.5652;3.537,.9932,1.4874;3.7177,1.8154,3.0128;3.1691,-.1802,4.2893;4.4835,-.5024,3.1832;1.5267,2.9614,-2.1465;1.0977,.7475,1.8602;1.2495,1.4251,3.4664;2.9801,-2.3881,3.2181;1.5651,-1.3744,2.9196;.4565,3.1378,1.8087;2.0072,3.6023,2.4973;1.9333,2.9219,.8761;3.4421,-3.1333,-1.0675;1.7124,-2.9956,-1.3409; 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" 400.6798031999997 AuxInfo=1/0/N:27,25,21,9,10,23,11,12,26,22,18,28,13,14,24,19,17,20,29,15,16,1,2,8,7,3,4,6,5/E:(4,5)(7,8)(13,14)(20,21)(26,27)/CRV:10.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,25.1,26.1,27.1/rA:52nClFO1O1OOO1NCCCCC3C3C3C3C3C3C3C3CC3CC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;s9;s9;s10;s11;s12s13;s3s8s13;s4s8s14;s8;s17;s2s17;s5s18;;s19;s21;s1s20s22;s21;s6s23;s25;s5;s6s7s28;s9;s9;s10;s10;s11;s11;s12;s12;s18;s21;s21;s23;s23;s22;s25;s25;s26;s26;s27;s27;s27;s28;s28;/rC:3.8289,1.2951,-2.1507;-.9783,2.6509,-1.5661;-2.2999,-1.4535,-2.1322;-1.9083,1.6516,1.1655;2.8341,-1.2378,-1.2961;2.8407,-1.5792,1.3052;1.789,-3.5515,1.1893;-1.7472,.1944,-.6156;-6.2722,-.9022,.0335;-5.8994,-.4965,1.4588;-5.082,-1.4932,-.7251;-4.8185,.5855,1.4792;-3.8707,-.6804,-.458;-3.7582,.2381,.5024;-2.59,-.7473,-1.2036;-2.3959,.8208,.4455;-.4211,.4425,-1.0012;.5344,-.5648,-.9268;-.0534,1.6933,-1.4596;1.848,-.3239,-1.3049;3.1402,1.036,2.5062;1.2518,1.9709,-1.8093;3.4137,-.2811,3.2278;2.193,.963,-1.7291;1.6765,1.4572,2.4587;2.6353,-1.4766,2.7256;1.5068,2.8541,1.8788;2.5607,-2.5338,-.8275;2.3398,-2.6138,.6704;-7.0878,-1.6265,.0515;-6.6436,-.0266,-.5066;-6.7831,-.1408,1.9903;-5.5384,-1.3739,2.0032;-4.8963,-2.5266,-.4146;-5.2841,-1.5345,-1.7981;-5.2408,1.5622,1.2213;-4.3932,.6967,2.4795;.2147,-1.5331,-.5652;3.537,.9932,1.4874;3.7177,1.8154,3.0128;3.1691,-.1802,4.2893;4.4835,-.5024,3.1832;1.5267,2.9614,-2.1465;1.0977,.7475,1.8602;1.2495,1.4251,3.4664;2.9801,-2.3881,3.2181;1.5651,-1.3744,2.9196;.4565,3.1378,1.8087;2.0072,3.6023,2.4973;1.9333,2.9219,.8761;3.4421,-3.1333,-1.0675;1.7124,-2.9956,-1.3409; 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 3040 GEPOL Volume 2817.8451 GEPOL Surface-area 1597.6616 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.7s) Overall time for CPCM initialization 0.9s -1805.21664329 3119.23035354 -4924.44699683 -8676.72481756 3752.27782073 -0.03607003 -3604.17315091 1798.95650762 2.00347987 111.000312888814 111.000312888814 222.000625777628 -147.728876837175 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2765.4767 -675.1606 -524.8835 -524.7838 -523.6376 -523.6277 -523.2845 -394.1136 -283.5430 -283.3937 -283.3752 -282.4079 -282.0697 -281.7931 -281.6045 -281.5139 -281.0678 -280.4991 -280.4752 -280.4035 -280.3800 -279.7965 -279.7928 -279.4889 -279.4835 -279.4282 -279.2126 -279.1807 -278.9373 -260.7436 -199.5836 -199.3450 -199.3300 -37.0838 -33.9399 -33.0309 -32.9995 -32.4372 -31.3272 -30.0252 -28.0085 -27.0996 -26.2815 -25.2558 -24.8145 -24.5668 -23.9396 -23.9058 -23.5353 -22.9351 -21.8095 -21.3618 -21.1927 -20.6044 -20.1042 -19.8695 -19.6670 -19.1218 -18.8665 -18.0548 -17.9908 -17.9410 -17.7567 -17.7127 -16.9111 -16.6227 -16.5899 -16.2838 -16.1220 -16.0664 -15.9364 -15.6033 -15.4208 -15.2560 -15.1519 -15.0353 -14.8155 -14.7289 -14.6569 -14.5106 -14.4641 -14.1661 -14.0336 -14.0056 -13.9173 -13.6430 -13.6070 -13.3470 -13.2007 -13.1052 -12.8381 -12.7079 -12.2957 -12.1933 -12.1437 -11.9500 -11.6596 -11.6229 -11.4665 -11.4476 -11.3681 -11.2158 -11.0748 -10.9413 -10.8804 -10.8334 -10.5817 -10.3024 -9.8570 -9.4194 -8.6480 -0.4407 0.8631 1.7272 2.2111 2.8590 2.9983 3.2881 3.4572 3.6415 3.8129 3.8380 4.1688 4.2555 4.4075 4.4786 4.4939 4.5707 4.7275 4.8473 4.9842 5.2509 5.2964 5.3694 5.4059 5.5266 5.7381 5.7589 5.8532 5.9449 6.0110 6.0295 6.1646 6.3459 6.3925 6.5012 6.6082 6.7233 6.8564 6.9116 7.0551 7.1087 7.3173 7.4087 7.5521 7.6144 7.7209 7.7877 7.8640 7.9318 8.0642 8.1356 8.1568 8.3969 8.4535 8.5639 8.6861 8.7689 8.8265 8.9766 9.0719 9.1147 9.2053 9.4382 9.5527 9.6686 9.6979 9.8006 9.8583 10.0862 10.2138 10.3108 10.4383 10.4834 10.5765 10.7358 10.8695 10.9002 11.0261 11.2034 11.3789 11.4508 11.4651 11.5541 11.7138 11.7844 11.9492 11.9954 12.0297 12.2013 12.3925 12.5532 12.7585 12.7982 12.9530 12.9958 13.1219 13.1842 13.2413 13.2945 13.3279 13.4047 13.4408 13.4869 13.6136 13.6278 13.6804 13.7196 13.8171 13.9181 14.0630 14.1322 14.1399 14.1789 14.2838 14.3090 14.3835 14.4754 14.5039 14.6253 14.6693 14.7694 14.8504 14.9275 14.9840 15.0874 15.1092 15.2855 15.3638 15.3929 15.4604 15.4911 15.5299 15.6251 15.7353 15.8665 15.8991 15.9886 16.0978 16.3091 16.3986 16.4991 16.6076 16.7454 16.8380 17.1323 17.2282 17.3026 17.3592 17.5661 17.7011 17.8182 17.9529 18.0828 18.1534 18.2899 18.4904 18.6710 18.8311 18.9227 18.9954 19.0764 19.2647 19.3587 19.3993 19.6171 19.6887 19.9230 20.0231 20.2338 20.4353 20.5681 20.8190 20.9245 20.9675 21.2075 21.2139 21.3581 21.4427 21.6255 21.7681 21.8516 22.0521 22.1823 22.2568 22.4071 22.5627 22.6310 22.7076 22.8359 23.0405 23.1476 23.2991 23.3230 23.4280 23.5647 23.7297 23.7443 23.8258 23.9948 24.1555 24.2863 24.4967 24.5612 24.7679 24.8482 24.9576 25.0958 25.2763 25.3728 25.5140 25.5949 25.6794 25.8172 25.9712 26.0917 26.2077 26.4605 26.4961 26.5959 26.7821 26.8976 27.0688 27.1648 27.3278 27.4670 27.6790 27.7511 28.0013 28.0716 28.1317 28.2856 28.5715 28.7574 28.9107 28.9961 29.0617 29.2300 29.3865 29.5701 29.6731 29.8957 29.9495 30.0069 30.1690 30.2162 30.3607 30.3903 30.5699 30.7154 30.9197 30.9699 31.1880 31.2591 31.3718 31.5114 31.5638 31.7303 31.9631 32.0158 32.1492 32.2162 32.3413 32.4336 32.5896 32.6941 32.8095 32.9883 33.2757 33.3191 33.4650 33.5061 33.6113 33.7165 33.8455 34.0179 34.0955 34.1237 34.2203 34.3825 34.4109 34.7226 34.7488 34.9350 35.0001 35.1889 35.2414 35.5120 35.5646 35.7675 35.8711 36.1325 36.2755 36.3802 36.4790 36.6101 36.6814 36.7886 36.9031 36.9304 37.1412 37.2514 37.3612 37.6014 37.7457 37.8350 37.9660 38.0098 38.2215 38.3933 38.5727 38.6824 38.7061 38.7862 38.8830 38.9571 39.2558 39.4860 39.5075 39.8349 39.8765 40.0453 40.2550 40.3827 40.4474 40.4738 40.7884 41.0102 41.1240 41.2844 41.5958 41.6528 41.8262 41.8967 42.1894 42.2463 42.2742 42.4327 42.5285 42.7812 42.8706 42.9090 43.0048 43.0936 43.3775 43.4695 43.5765 43.6642 43.7277 43.7789 43.8663 43.9872 44.0693 44.2586 44.4346 44.6906 44.7516 44.8018 45.0393 45.0882 45.2673 45.5794 45.7372 45.8090 45.8484 45.9926 46.2065 46.3671 46.4895 46.7033 46.9094 46.9270 47.1501 47.2100 47.2366 47.3656 47.5401 47.7501 47.8085 47.9148 48.0979 48.1594 48.2246 48.4136 48.5136 48.8897 48.9984 49.1616 49.5342 49.6092 49.8515 49.9979 50.0594 50.1621 50.4175 50.5089 50.6785 50.9097 51.1911 51.2695 51.5326 51.6677 51.8480 52.1880 52.2956 52.5973 52.8025 52.9782 53.1712 53.2679 53.5117 53.6036 53.7595 53.9508 54.1713 54.4447 54.6547 54.7872 54.9829 55.1927 55.4706 55.7229 55.9625 56.4123 56.6182 56.6862 56.7462 57.0442 57.3009 57.3979 57.5447 57.6754 57.9892 58.1110 58.3730 58.8219 58.8801 58.9640 59.2591 59.4139 59.6487 59.8606 59.9237 60.0534 60.2525 60.4720 60.7930 60.9189 60.9645 61.2867 61.5711 61.6214 61.6874 61.9785 62.0549 62.2659 62.5663 62.6681 62.7842 63.0533 63.1149 63.2338 63.3421 63.5007 63.7776 63.9727 64.3837 64.5033 64.6520 64.7450 65.0011 65.1475 65.2501 65.5171 65.6647 65.7921 65.9534 66.1086 66.3474 66.4675 66.6675 66.9246 67.1053 67.3744 67.9177 67.9272 68.2593 68.3657 68.5464 68.8393 69.1793 69.2852 69.4685 69.9559 70.3870 70.4670 70.5997 70.9665 71.0617 71.1643 71.4852 71.5484 71.8768 72.1176 72.3477 72.6703 72.7857 72.9134 73.0137 73.1111 73.4763 73.6865 73.7719 73.9557 74.2313 74.3303 74.6407 74.7317 74.8229 75.0853 75.3509 75.4369 75.5877 75.6657 75.7469 75.9223 76.0897 76.2581 76.2950 76.6377 76.7045 76.9396 76.9919 77.1635 77.3415 77.4095 77.6054 77.8328 77.9514 78.2460 78.5217 78.6829 78.7657 78.7779 79.1238 79.2231 79.3585 79.5977 79.7227 79.9296 79.9580 80.0479 80.2753 80.3356 80.4937 80.6362 80.6611 80.9237 80.9741 81.2043 81.4061 81.5351 81.6679 81.7378 81.9196 81.9902 82.0722 82.3379 82.4920 82.5585 82.6682 82.8242 82.9816 83.1017 83.2195 83.2500 83.4368 83.6863 83.9301 84.1489 84.2840 84.3816 84.5544 84.6244 84.8509 84.8845 85.0579 85.1951 85.3210 85.3586 85.4804 85.6073 85.7011 85.9097 86.0013 86.0354 86.1859 86.3246 86.3380 86.6094 86.6936 86.8470 86.9496 87.0106 87.1013 87.2067 87.3358 87.5185 87.6931 87.7629 87.7869 87.9192 88.1542 88.3387 88.3838 88.4699 88.6293 88.6489 88.7665 88.9112 89.0184 89.1168 89.2003 89.3911 89.4312 89.4420 89.6683 89.8288 90.0099 90.0831 90.1227 90.2662 90.2964 90.3765 90.5433 90.6278 90.6809 90.8437 90.9150 91.1291 91.1712 91.2813 91.3948 91.5149 91.7105 91.8270 91.8363 91.9727 92.0228 92.1602 92.3968 92.5335 92.5793 92.7462 92.8742 93.2459 93.3315 93.5252 93.7636 93.9249 93.9890 94.0400 94.1704 94.4294 94.4416 94.5751 94.7423 94.7847 94.8312 95.0648 95.1338 95.1902 95.3919 95.5712 95.6832 95.7397 96.0348 96.1902 96.3008 96.4232 96.4390 96.6917 96.8363 97.0406 97.0939 97.4268 97.4396 97.7219 97.7877 97.8944 97.9403 97.9969 98.1394 98.2286 98.5182 98.6686 98.9951 99.1270 99.2556 99.3664 99.5496 99.7011 99.8811 100.0662 100.3605 100.4114 100.4568 100.5857 100.6413 100.9468 100.9942 101.1832 101.4697 101.5790 101.7603 101.8658 101.9994 102.1932 102.2729 102.5172 102.6108 102.8668 102.9622 102.9981 103.1022 103.2330 103.5889 103.8047 103.8243 103.9284 104.0739 104.1464 104.2650 104.5491 104.5983 104.6999 104.8917 104.9799 105.1294 105.3800 105.4587 105.6818 105.8692 106.0144 106.0458 106.3432 106.6372 106.8272 106.9622 107.2437 107.2920 107.6139 107.7086 107.8568 108.0645 108.1848 108.3363 108.4996 108.6506 108.8329 108.9507 109.0370 109.1423 109.4308 109.6217 109.7549 109.9137 110.0181 110.3316 110.3926 110.5295 110.6406 110.7441 110.9359 110.9611 111.2161 111.3040 111.4350 111.5686 111.8330 111.8682 112.1574 112.3554 112.3808 112.7674 112.9831 113.0884 113.1254 113.4224 113.5264 113.6962 113.7854 113.9439 114.0657 114.2492 114.4529 114.4999 114.5995 114.7024 115.0626 115.1289 115.1530 115.2693 115.3715 115.4710 115.5208 115.8706 115.9650 116.0669 116.1609 116.3401 116.3904 116.5303 116.6503 117.0194 117.1614 117.4186 117.4830 117.5406 117.6233 117.9045 118.0245 118.1486 118.4643 118.5606 118.6073 118.7656 118.9982 119.0629 119.2835 119.3526 119.4338 119.5663 119.9419 120.2001 120.2939 120.3566 120.4362 120.5830 120.7014 120.7822 120.9954 121.0860 121.3899 121.5308 121.6346 121.9300 122.0347 122.1606 122.3536 122.4271 122.6761 122.8524 122.9435 123.1626 123.2921 123.9814 124.1441 124.3444 124.4472 124.6597 124.8695 125.1343 125.3462 125.4514 125.9626 126.0693 126.2311 126.5907 126.8425 126.9318 126.9897 127.2840 127.5129 127.6280 128.0151 128.2311 128.4443 128.7005 129.0190 129.2974 129.4351 129.7048 129.8063 130.1657 130.3366 130.6097 130.7180 131.1287 131.2393 131.4626 131.6469 132.0348 132.1476 132.2257 132.6070 132.9237 133.1104 133.4018 133.4627 133.6850 133.8937 133.9145 134.2791 134.3657 134.4700 134.6135 134.7862 135.1641 135.3007 135.5245 135.6066 136.0304 136.2937 136.3104 136.3989 136.6766 136.9532 137.5163 137.6781 137.7578 137.9264 138.0596 138.0782 138.5189 138.7940 139.0289 139.1259 139.2584 139.6713 139.7546 139.8241 140.2826 140.3437 140.8146 141.0236 141.3084 141.6474 141.8816 142.3704 142.8251 143.0198 143.2308 143.4953 143.7700 143.9635 144.0738 144.2228 144.4687 144.7670 144.9108 145.1152 145.5970 145.9085 146.1398 146.7860 146.8836 147.0379 147.0671 147.2144 147.6533 147.9086 148.1677 148.2780 148.3614 148.8443 149.1541 149.3260 149.5643 149.7670 149.9024 150.2526 150.3966 150.4714 150.8185 150.8817 150.9802 151.0873 151.1862 151.3679 151.9328 151.9625 152.3827 152.5119 152.7774 152.8165 153.0069 153.0704 153.2334 153.5176 153.8486 154.1023 154.2121 154.4774 154.5262 154.7661 154.9054 155.1623 155.3085 155.6167 155.7355 155.9110 156.2579 156.3663 156.4861 156.7138 156.9487 157.3258 157.5821 157.7839 158.0374 158.1023 158.4690 159.0364 159.3723 159.5267 159.6693 159.9263 160.2602 160.3820 160.6119 160.9562 161.2865 161.3409 162.4792 162.7882 163.0411 164.5723 165.7821 166.2092 167.7996 169.3646 170.2104 170.7123 171.5865 171.7894 172.6779 172.9398 173.8220 175.0098 176.2231 176.2651 176.6572 177.2452 178.9714 179.9861 180.4283 180.5516 181.9059 182.0515 185.1080 186.1159 186.7328 186.8927 187.8563 188.3221 188.3804 188.4690 189.3208 189.4010 189.9663 191.0599 192.6829 192.7715 193.0701 193.9277 194.9687 196.0028 196.2281 196.7687 197.3558 197.8789 199.1787 200.3823 201.7518 205.6299 206.1614 206.3188 207.9305 211.8363 221.7734 223.4354 223.9100 227.9460 229.8884 230.4082 236.0827 241.1884 248.0597 249.2238 295.5843 298.1144 313.3846 616.2755 618.0016 626.7746 632.1029 633.9915 635.2293 635.5795 636.2316 637.7095 639.9051 640.7250 641.0782 641.4378 642.3653 643.0846 643.2254 644.5337 646.9201 647.1141 650.1453 650.8781 716.4732 906.3740 1198.0656 1200.1214 1201.8598 1210.0484 1214.2045 1565.2109 -0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 Cl F O O O O O N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.072631 -0.210542 -0.400663 -0.413940 -0.305396 -0.258006 -0.450276 -0.035833 -0.136265 -0.136451 -0.073910 -0.072794 -0.087058 -0.030669 0.322749 0.302814 -0.026023 -0.161538 0.207153 0.272572 -0.094835 -0.139642 -0.142050 0.015291 -0.100091 -0.015181 -0.302871 0.015905 0.373397 0.080907 0.078262 0.081355 0.078762 0.101243 0.094870 0.101136 0.093171 0.136738 0.056500 0.077015 0.073073 0.081550 0.134508 0.040967 0.074405 0.119852 0.116261 0.092168 0.096900 0.078022 0.140722 0.128395 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 Cl F O O O O O N C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 17.0726 9.2105 8.4007 8.4139 8.3054 8.2580 8.4503 7.0358 6.1363 6.1365 6.0739 6.0728 6.0871 6.0307 5.6773 5.6972 6.0260 6.1615 5.7928 5.7274 6.0948 6.1396 6.1420 5.9847 6.1001 6.0152 6.3029 5.9841 5.6266 0.9191 0.9217 0.9186 0.9212 0.8988 0.9051 0.8989 0.9068 0.8633 0.9435 0.9230 0.9269 0.9185 0.8655 0.9590 0.9256 0.8801 0.8837 0.9078 0.9031 0.9220 0.8593 0.8716 17.0000 9.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0726 -0.2105 -0.4007 -0.4139 -0.3054 -0.2580 -0.4503 -0.0358 -0.1363 -0.1365 -0.0739 -0.0728 -0.0871 -0.0307 0.3227 0.3028 -0.0260 -0.1615 0.2072 0.2726 -0.0948 -0.1396 -0.1420 0.0153 -0.1001 -0.0152 -0.3029 0.0159 0.3734 0.0809 0.0783 0.0814 0.0788 0.1012 0.0949 0.1011 0.0932 0.1367 0.0565 0.0770 0.0731 0.0815 0.1345 0.0410 0.0744 0.1199 0.1163 0.0922 0.0969 0.0780 0.1407 0.1284 1.2349 1.0838 2.1194 2.1002 2.0983 2.1430 2.0605 3.0388 3.9154 3.9150 3.9177 3.9167 3.7134 3.7077 4.1793 4.1698 3.6836 3.8860 4.0808 3.8805 3.8368 3.9433 3.9634 3.8163 3.8561 3.8170 3.9438 3.9127 4.0897 1.0093 1.0066 1.0095 1.0068 1.0047 1.0148 1.0046 1.0161 1.0325 1.0202 1.0111 1.0132 1.0124 1.0167 1.0120 1.0099 1.0062 0.9928 1.0131 1.0057 0.9941 0.9896 1.0031 1.2349 1.0838 2.1194 2.1002 2.0983 2.1430 2.0605 3.0388 3.9154 3.9150 3.9177 3.9167 3.7134 3.7077 4.1793 4.1698 3.6836 3.8860 4.0808 3.8805 3.8368 3.9433 3.9634 3.8163 3.8561 3.8170 3.9438 3.9127 4.0897 1.0093 1.0066 1.0095 1.0068 1.0047 1.0148 1.0046 1.0161 1.0325 1.0202 1.0111 1.0132 1.0124 1.0167 1.0120 1.0099 1.0062 0.9928 1.0131 1.0057 0.9941 0.9896 1.0031 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.0785 1.0515 2.0507 2.0068 1.1267 0.9547 0.8265 1.2253 1.9200 1.0886 1.1012 0.8688 0.9253 0.9283 1.0071 1.0063 0.9283 1.0073 1.0067 0.9813 0.9820 0.9996 0.9759 0.9821 1.0020 1.7574 0.9603 0.9681 1.3692 1.3934 1.3610 0.9438 1.4492 1.2903 0.9409 0.9273 1.0005 1.0022 1.3722 0.9883 0.9651 1.0063 1.0061 0.9312 0.9987 1.0028 0.9864 0.9867 1.0040 0.9982 0.9905 0.9253 0.9474 1.0154 0 23 1 18 2 14 3 15 4 19 4 27 5 25 5 28 6 28 7 14 7 15 7 16 8 9 8 10 8 29 8 30 9 11 9 31 9 32 10 12 10 33 10 34 11 13 11 35 11 36 12 13 12 14 13 15 16 17 16 18 17 19 17 37 18 21 19 23 20 22 20 24 20 38 20 39 21 23 21 42 22 25 22 40 22 41 24 26 24 43 24 44 25 45 25 46 26 47 26 48 26 49 27 28 27 50 27 51 -0.031014509 -1805.247657802413 -15.58601 14.22772 -1.35829 -3.79787 3.40520 -0.39268 31.59358 -30.60839 0.98519 1.72330 4.38027