Orca 5.0.2 RELEASE 1 2 3 4 5 6 7 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl S F F F F O O O O O N N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H 1 2 3 3 3 3 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 483.71731279999983 AuxInfo=1/0/N:17,18,31,19,23,30,28,16,21,29,27,20,25,26,22,24,32,1,3,4,5,6,13,15,12,14,11,9,10,7,8,2/E:(1,2)(20,21,22)(30,31)/CRV:5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.2,27.1,28.1,29.1,30.1,31.1/rA:48nClSFFFFO1O1O1O1O1NN2NNCCCCC3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHH/rB:;;;;;s2;s2;;;;s2;s2;;;s12;s16;s16;s12;s14;;s9s13s21;s20s21;s10s14s15;s15;s11s14;s3s20;s25s26;s1s21;s27s29;s15;s4s5s6s25;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;s23;s28;s30;s31;s31;s31;/rC:-3.1362,-2.1682,-1.7006;-4.5525,1.7985,-.7859;1.8034,-2.8818,-1.6916;6.8223,1.5209,-.321;6.0871,1.765,1.6795;7.052,-.0713,1.0898;-5.537,1.5869,-1.8357;-4.1021,3.1617,-.5448;-2.1815,1.1473,.8691;2.2549,-1.5904,1.5724;2.6441,.3783,-2.4921;-5.3069,1.3017,.6343;-3.3532,.7536,-1.1011;2.3882,-.509,-.4121;4.1461,-.3965,1.1604;-5.8734,-.0384,.6377;-7.3732,.0222,.9154;-5.167,-.9914,1.5996;-5.0152,1.9357,1.8946;1.0471,-.8896,-.7124;-1.3283,-.3911,-.6733;-2.38,.6071,-.2176;-.0096,-.0764,-.3611;2.8798,-.8897,.8222;4.8726,.3407,.2565;3.1027,.1714,-1.3992;.7853,-2.0777,-1.3656;4.418,.6171,-.9722;-1.5522,-1.5997,-1.3275;-.503,-2.4486,-1.6683;4.6496,-.7833,2.4746;6.2177,.888,.6792;-5.7453,-.4444,-.3669;-7.8207,-.9738,.8772;-7.5813,.4357,1.9051;-7.8626,.6499,.172;-4.0911,-.9978,1.4327;-5.5365,-2.0083,1.4551;-5.3449,-.7254,2.6438;-4.6457,2.9397,1.7125;-4.2637,1.4097,2.4869;-5.933,2.0215,2.4859;.1768,.842,.1802;4.9868,1.1967,-1.6799;-.6924,-3.3916,-2.1615;5.0665,.068,3.0031;5.3959,-1.5726,2.4011;3.8144,-1.1597,3.0523; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on functions 1748 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge -1 Mult 1 NEL 256 Dim 1238 ENuc 3821.0161846208 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 7.331e-06 Time for diagonalization 0.484 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.386 sec Total time needed 0.886 sec 17 16 9 9 9 9 8 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 483.71731279999983 AuxInfo=1/0/N:17,18,31,19,23,30,28,16,21,29,27,20,25,26,22,24,32,1,3,4,5,6,13,15,12,14,11,9,10,7,8,2/E:(1,2)(20,21,22)(30,31)/CRV:5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.2,27.1,28.1,29.1,30.1,31.1/rA:48nClSFFFFO1O1O1O1O1NN2NNCCCCC3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHH/rB:;;;;;s2;s2;;;;s2;s2;;;s12;s16;s16;s12;s14;;s9s13s21;s20s21;s10s14s15;s15;s11s14;s3s20;s25s26;s1s21;s27s29;s15;s4s5s6s25;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;s23;s28;s30;s31;s31;s31;/rC:-3.1362,-2.1682,-1.7006;-4.5525,1.7985,-.7859;1.8034,-2.8818,-1.6916;6.8223,1.5209,-.321;6.0871,1.765,1.6795;7.052,-.0713,1.0898;-5.537,1.5869,-1.8357;-4.1021,3.1617,-.5448;-2.1815,1.1473,.8691;2.2549,-1.5904,1.5724;2.6441,.3783,-2.4921;-5.3069,1.3017,.6343;-3.3532,.7536,-1.1011;2.3882,-.509,-.4121;4.1461,-.3965,1.1604;-5.8734,-.0384,.6377;-7.3732,.0222,.9154;-5.167,-.9914,1.5996;-5.0152,1.9357,1.8946;1.0471,-.8896,-.7124;-1.3283,-.3911,-.6733;-2.38,.6071,-.2176;-.0096,-.0764,-.3611;2.8798,-.8897,.8222;4.8726,.3407,.2565;3.1027,.1714,-1.3992;.7853,-2.0777,-1.3656;4.418,.6171,-.9722;-1.5522,-1.5997,-1.3275;-.503,-2.4486,-1.6683;4.6496,-.7833,2.4746;6.2177,.888,.6792;-5.7453,-.4444,-.3669;-7.8207,-.9738,.8772;-7.5813,.4357,1.9051;-7.8626,.6499,.172;-4.0911,-.9978,1.4327;-5.5365,-2.0083,1.4551;-5.3449,-.7254,2.6438;-4.6457,2.9397,1.7125;-4.2637,1.4097,2.4869;-5.933,2.0215,2.4859;.1768,.842,.1802;4.9868,1.1967,-1.6799;-.6924,-3.3916,-2.1615;5.0665,.068,3.0031;5.3959,-1.5726,2.4011;3.8144,-1.1597,3.0523; -1 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX DEFGRID2 scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 4 483.71731279999983 AuxInfo=1/0/N:17,18,31,19,23,30,28,16,21,29,27,20,25,26,22,24,32,1,3,4,5,6,13,15,12,14,11,9,10,7,8,2/E:(1,2)(20,21,22)(30,31)/CRV:5.3,6.3,7.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,23.2,27.1,28.1,29.1,30.1,31.1/rA:48nClSFFFFO1O1O1O1O1NN2NNCCCCC3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHH/rB:;;;;;s2;s2;;;;s2;s2;;;s12;s16;s16;s12;s14;;s9s13s21;s20s21;s10s14s15;s15;s11s14;s3s20;s25s26;s1s21;s27s29;s15;s4s5s6s25;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;s23;s28;s30;s31;s31;s31;/rC:-3.1362,-2.1682,-1.7006;-4.5525,1.7985,-.7859;1.8034,-2.8818,-1.6916;6.8223,1.5209,-.321;6.0871,1.765,1.6795;7.052,-.0713,1.0898;-5.537,1.5869,-1.8357;-4.1021,3.1617,-.5448;-2.1815,1.1473,.8691;2.2549,-1.5904,1.5724;2.6441,.3783,-2.4921;-5.3069,1.3017,.6343;-3.3532,.7536,-1.1011;2.3882,-.509,-.4121;4.1461,-.3965,1.1604;-5.8734,-.0384,.6377;-7.3732,.0222,.9154;-5.167,-.9914,1.5996;-5.0152,1.9357,1.8946;1.0471,-.8896,-.7124;-1.3283,-.3911,-.6733;-2.38,.6071,-.2176;-.0096,-.0764,-.3611;2.8798,-.8897,.8222;4.8726,.3407,.2565;3.1027,.1714,-1.3992;.7853,-2.0777,-1.3656;4.418,.6171,-.9722;-1.5522,-1.5997,-1.3275;-.503,-2.4486,-1.6683;4.6496,-.7833,2.4746;6.2177,.888,.6792;-5.7453,-.4444,-.3669;-7.8207,-.9738,.8772;-7.5813,.4357,1.9051;-7.8626,.6499,.172;-4.0911,-.9978,1.4327;-5.5365,-2.0083,1.4551;-5.3449,-.7254,2.6438;-4.6457,2.9397,1.7125;-4.2637,1.4097,2.4869;-5.933,2.0215,2.4859;.1768,.842,.1802;4.9868,1.1967,-1.6799;-.6924,-3.3916,-2.1615;5.0665,.068,3.0031;5.3959,-1.5726,2.4011;3.8144,-1.1597,3.0523; -2510.66170959 3821.01618462 -6331.67789421 -11085.93695015 4754.25905594 -5013.60486008 2502.94315049 2.00308379 128.000213573376 128.000213573376 256.000427146751 -187.576037915604 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2762.3899 -2421.8552 -674.5676 -674.5633 -674.5397 -672.7980 -521.1356 -521.0123 -518.7766 -518.6148 -518.4905 -393.0766 -392.4726 -389.2533 -387.8048 -285.9006 -282.1773 -281.2727 -280.8776 -279.9473 -279.4084 -279.1164 -278.8303 -278.7403 -278.6412 -277.6931 -277.6079 -277.5046 -277.4437 -276.8341 -276.4293 -276.3603 -257.6614 -219.4142 -196.5019 -196.2645 -196.2441 -163.7804 -163.7055 -163.6808 -38.4649 -35.8970 -35.8737 -34.6957 -31.2943 -30.2519 -29.3302 -28.6771 -27.5638 -27.4586 -26.0046 -25.1579 -24.9585 -24.3957 -23.6947 -23.3453 -22.3232 -21.5843 -21.5186 -21.2123 -20.9635 -19.9564 -19.2659 -18.9818 -18.8191 -18.4526 -18.4284 -18.1807 -17.9030 -17.6376 -17.0352 -16.5218 -16.3336 -15.6942 -15.4033 -15.1104 -14.9705 -14.9413 -14.5579 -14.3681 -14.0574 -13.9271 -13.8160 -13.7746 -13.5507 -13.3603 -13.2737 -13.1330 -13.1026 -12.9076 -12.5654 -12.4767 -12.4266 -12.3097 -12.1252 -11.9915 -11.9218 -11.8319 -11.6580 -11.5044 -11.2260 -11.0802 -10.9196 -10.7506 -10.5604 -10.3199 -10.1959 -10.0326 -9.9262 -9.4150 -9.2891 -9.1223 -9.0045 -8.7979 -8.6021 -8.5452 -8.3104 -8.2435 -7.7191 -7.6908 -7.3162 -6.9927 -6.7935 -6.5067 -6.4438 -5.8130 -5.4283 -4.9404 1.9844 3.7480 3.8950 4.0649 4.8704 5.5888 5.6891 5.8761 6.0532 6.3101 6.4268 6.5503 6.7322 6.7882 6.8983 6.9611 7.2223 7.2787 7.3027 7.5386 7.6491 7.8270 7.9839 8.0673 8.1060 8.2225 8.3619 8.3970 8.4764 8.6113 8.7101 8.8022 8.9007 9.2087 9.2653 9.3789 9.4470 9.5238 9.6755 9.7973 9.8925 9.9125 9.9513 10.1125 10.2338 10.3397 10.3885 10.4383 10.4649 10.5831 10.7956 10.9747 11.1404 11.1641 11.2266 11.3287 11.3724 11.5782 11.6231 11.7909 11.8796 11.9437 12.2667 12.2849 12.3679 12.4936 12.5940 12.6944 12.7254 12.9004 13.0513 13.0989 13.2145 13.2354 13.3971 13.5602 13.7683 13.8936 13.9516 14.0769 14.1200 14.2169 14.4773 14.5086 14.5435 14.6499 14.7847 14.8623 14.9977 15.0744 15.2034 15.2842 15.4222 15.5008 15.5533 15.6158 15.7333 15.8209 15.9251 16.0449 16.1079 16.2580 16.2990 16.3738 16.5398 16.5894 16.7006 16.7599 16.8631 16.9820 17.1124 17.2147 17.3171 17.3530 17.4500 17.5642 17.6934 17.7454 17.8310 17.9145 18.0089 18.0206 18.2390 18.2904 18.5036 18.5203 18.5921 18.6500 18.8234 18.9600 18.9992 19.0321 19.3056 19.4123 19.4631 19.5775 19.6476 19.7503 19.8148 19.9695 20.0907 20.1940 20.2287 20.3135 20.4675 20.5843 20.6603 20.8046 20.9383 21.1351 21.2376 21.3069 21.5156 21.5725 21.7045 21.8600 21.9703 22.2351 22.2991 22.3749 22.5430 22.7062 22.8218 23.1387 23.1625 23.2217 23.4283 23.5045 23.6321 23.7177 23.8790 23.9259 24.0200 24.1331 24.2094 24.2653 24.3674 24.5246 24.5686 24.7729 24.8644 25.0805 25.1530 25.3241 25.4789 25.5094 25.8549 25.9527 26.0543 26.1404 26.2250 26.3560 26.5168 26.6963 26.7422 26.8682 26.9564 27.1255 27.2424 27.3990 27.4200 27.6219 27.8544 27.8922 28.0461 28.1256 28.3639 28.4082 28.5881 28.7508 28.8620 28.9355 29.0219 29.1282 29.2598 29.4000 29.5780 29.6552 29.8226 29.9289 30.0894 30.1780 30.2395 30.3104 30.5199 30.6564 30.8435 30.9111 31.0239 31.1099 31.3305 31.3673 31.5180 31.6396 31.7816 31.9768 32.0457 32.1516 32.2995 32.4367 32.6192 32.6771 32.8021 32.9995 33.1698 33.3675 33.5105 33.5231 33.7401 33.9784 34.1062 34.1648 34.3912 34.5281 34.5684 34.6854 34.7479 34.9159 35.1327 35.3204 35.4603 35.6080 35.7936 35.9228 36.0020 36.0814 36.2590 36.5947 36.6833 36.7772 36.9345 37.2000 37.3553 37.4299 37.7229 37.7684 37.9014 38.1708 38.2774 38.4390 38.5847 38.6326 38.9290 39.1426 39.3159 39.5504 39.6756 39.7085 39.7872 39.9279 40.2607 40.4097 40.5102 40.6455 40.8577 40.9027 41.1084 41.2874 41.3385 41.4783 41.5178 41.8757 42.0030 42.0486 42.1510 42.3352 42.5924 42.6759 42.7975 43.0230 43.2912 43.4673 43.4898 43.6632 43.8251 43.9451 44.0248 44.1337 44.3254 44.5840 44.7159 44.7980 44.8743 45.1838 45.2098 45.2673 45.4656 45.6170 45.6540 45.7632 45.9056 46.0619 46.1209 46.2775 46.4568 46.5168 46.6546 46.8436 46.8942 47.0278 47.1055 47.3722 47.4246 47.6390 47.7300 47.8105 48.0532 48.1057 48.6455 48.7769 48.8178 48.8745 48.9856 49.1744 49.2797 49.3914 49.5640 49.7631 49.9113 49.9426 50.2496 50.4022 50.4850 50.5739 50.6839 50.9160 51.1178 51.2108 51.3505 51.6299 51.7262 51.9344 52.0638 52.3326 52.3896 52.5769 52.8754 53.2045 53.3528 53.4526 53.7180 53.8305 53.9605 54.1503 54.3258 54.5252 54.6195 54.8855 55.0396 55.1004 55.2226 55.3807 55.5063 55.5881 55.8745 56.0145 56.1464 56.2223 56.6368 57.0036 57.0608 57.2051 57.5073 57.7398 58.0569 58.2876 58.3346 58.7226 58.7993 59.0988 59.3915 59.4504 59.6910 59.9516 60.3531 60.4229 60.5615 60.7068 60.8172 60.9437 61.1809 61.3252 61.4374 61.5418 61.7302 61.7745 61.9745 62.1882 62.4957 62.6458 62.7880 62.9805 63.1298 63.1751 63.3464 63.6666 63.6878 63.7262 64.0323 64.2599 64.4455 64.5994 64.7528 64.9024 65.3166 65.7232 65.8744 66.0028 66.1885 66.3763 66.5082 66.6801 66.8891 67.0591 67.1154 67.2779 67.5565 67.6837 67.8036 67.8922 68.0481 68.2217 68.3803 68.6429 68.8381 68.8892 69.0208 69.2122 69.3024 69.4432 69.6289 69.8146 69.8728 70.3920 70.5619 70.6298 70.7671 71.0569 71.4135 71.4742 71.7857 71.8816 72.0302 72.2703 72.5296 72.9492 72.9793 73.1801 73.2788 73.4217 73.6070 73.7874 73.8205 74.2379 74.3785 74.5316 74.7693 74.8455 75.0847 75.3828 75.5594 75.7251 75.8555 75.9994 76.3841 76.5868 76.7428 77.1335 77.4130 77.4733 77.8436 78.1266 78.3728 78.4089 78.6326 78.9605 79.1682 79.3985 79.5954 79.7486 79.9555 80.0518 80.2925 80.4001 80.6721 80.9768 81.0927 81.1514 81.2059 81.3230 81.4766 81.6914 81.8458 81.8704 82.0041 82.1252 82.2212 82.2765 82.3811 82.5548 82.6881 82.7600 82.8735 83.0229 83.1575 83.2749 83.5136 83.6955 83.8403 84.0865 84.2027 84.3680 84.4830 84.6123 84.8064 84.8851 84.9902 85.0191 85.4071 85.4915 85.5906 85.7010 85.8969 85.9871 86.1305 86.3074 86.4518 86.5361 86.7295 86.8789 87.1695 87.2280 87.3429 87.4742 87.5565 87.7191 87.8677 87.8821 88.1054 88.1734 88.3900 88.5176 88.5882 88.6233 88.8129 88.9657 89.0780 89.1369 89.2738 89.5625 89.6027 89.7858 89.9363 89.9558 90.1201 90.2314 90.4821 90.6429 90.8601 90.8883 91.0082 91.1375 91.2717 91.3610 91.5232 91.6192 91.8271 91.8950 92.0472 92.2718 92.3447 92.6725 92.6847 92.7916 92.8611 92.8901 92.9457 93.0712 93.1734 93.4377 93.6181 93.7917 93.9572 93.9912 94.1789 94.3708 94.4147 94.4798 94.5296 94.7492 94.8592 95.1444 95.4471 95.4661 95.5906 95.6303 95.7216 95.9289 96.0680 96.2289 96.3705 96.5460 96.7590 96.9325 97.0843 97.2206 97.3637 97.5301 97.6069 97.7366 97.8589 97.9505 98.1428 98.3541 98.5786 98.6311 98.8018 98.8817 98.9715 99.1112 99.2490 99.5897 99.7911 100.0122 100.0885 100.2468 100.3412 100.4945 100.4960 100.6371 100.8640 100.9641 101.2041 101.4293 101.4972 101.6247 101.7127 102.0233 102.1022 102.3729 102.5707 102.7374 103.0227 103.3148 103.4495 103.6913 103.8245 103.8932 104.0315 104.1348 104.4935 104.6463 104.7342 104.8512 104.9611 105.1625 105.4017 105.6022 105.7899 106.0971 106.1255 106.3817 106.4581 106.5393 106.6701 106.7860 107.0194 107.1025 107.2970 107.3461 107.7957 107.9645 108.2628 108.4134 108.5448 108.7228 109.1521 109.3364 109.4668 109.6597 109.7286 109.7605 110.0497 110.3270 110.4694 110.7868 111.0188 111.2513 111.3705 111.6819 111.7578 112.0067 112.1084 112.1533 112.3215 112.4004 112.4789 112.6631 112.8134 113.1387 113.4856 113.7502 113.8665 113.9703 114.2114 114.4389 114.6116 114.7630 115.1241 115.2343 115.3760 115.6527 115.7590 115.9286 115.9886 116.1013 116.2596 116.4441 116.5183 116.6627 116.9115 117.0773 117.2073 117.4374 117.6144 117.7142 117.8496 117.9821 118.0851 118.2269 118.6414 118.8101 118.9509 119.0251 119.1821 119.4054 119.5899 119.6635 119.8581 119.9660 120.0797 120.2403 120.3147 120.8312 120.8494 120.9447 121.0792 121.2656 121.6999 121.8164 121.9655 122.1423 122.3049 122.4828 122.6390 122.7570 122.9905 123.2875 123.3705 123.5767 123.5945 124.0707 124.2156 124.6578 124.8694 125.0313 125.2430 125.4453 125.7521 125.9836 126.4213 126.4435 126.6394 126.7863 127.1371 127.2484 127.7070 127.8366 128.0946 128.3285 128.7275 129.2536 129.4518 129.6172 129.8692 130.1166 130.2100 130.6404 131.2429 131.5299 131.8275 132.2433 132.9451 133.1232 133.7521 133.9007 134.3102 134.5489 134.7631 135.0290 135.1276 135.5067 135.5133 135.8561 136.0033 136.3015 136.8156 136.8790 137.1314 137.3873 137.5409 137.7202 138.0557 138.5640 138.6708 138.7040 138.9998 139.3574 139.5866 139.9379 140.0983 140.4009 140.5805 141.3678 141.5237 141.7792 141.8935 141.9174 142.4796 142.7621 142.8968 143.0221 143.8309 144.1013 144.2145 144.5228 144.8268 144.9473 145.5576 145.5981 145.6212 145.9441 146.2304 146.3199 146.4570 146.6974 146.8048 147.0181 147.0443 147.1969 147.3101 147.3751 147.4202 147.6689 147.8746 148.1062 148.2290 148.3809 148.6021 148.8244 148.9933 149.1015 149.1389 149.3571 149.6197 149.8823 150.1135 150.3181 150.4933 150.7698 150.9550 151.0540 151.1971 151.2429 151.4312 151.5257 151.6650 152.0091 152.1229 152.1608 152.2730 152.5028 152.6700 152.9104 153.0780 153.2001 153.3788 153.5108 153.7901 153.8647 154.3805 154.4209 154.5740 154.7481 154.8717 155.1390 155.5512 156.0906 156.6890 156.8879 157.0418 157.2844 157.4360 157.6583 157.8481 157.9996 158.2193 158.2698 158.3268 158.4556 158.9386 159.1723 159.3094 159.4502 160.0593 160.5550 160.7784 160.8534 161.2700 161.8762 162.0340 162.1819 162.3158 162.8609 162.9613 163.4207 163.5509 164.2904 164.4229 165.4408 165.6188 166.4085 167.3710 168.1187 168.9783 169.3164 170.0210 171.6497 172.5232 173.7907 175.3847 175.6370 178.1658 179.2026 179.3255 179.8140 180.4836 180.6379 180.8367 181.6793 181.7515 182.7496 184.0481 185.2146 185.9812 188.1453 188.3526 189.3885 189.4623 189.5047 189.7453 189.8847 189.9452 190.0854 190.2056 190.2396 190.3167 190.4843 190.5495 190.8313 190.8865 191.1684 191.4394 191.6587 192.2050 193.2387 193.4645 193.6326 194.2991 194.4834 194.9985 195.4733 195.6052 195.8782 197.1402 197.3348 197.6952 198.0943 198.4329 198.7462 200.4694 200.6240 201.1320 202.1136 203.1396 203.5416 203.9724 204.2499 206.4139 207.7871 208.3839 210.3575 211.3342 213.8185 214.7633 219.5573 221.7151 225.7074 226.8240 227.2252 228.8260 229.9057 230.0575 230.9188 232.3033 233.2974 233.6830 234.6101 236.5715 238.2679 240.1679 241.9543 242.8598 243.4466 245.5662 247.1476 248.2481 248.5605 250.3263 251.0628 251.4791 252.5680 263.4402 268.8361 279.3061 298.7291 302.8962 316.2525 617.4635 623.7991 625.0209 626.8325 628.6506 634.0679 635.6379 638.1127 638.4331 639.5045 645.3620 646.0091 648.5286 648.8177 650.3566 651.8150 653.0335 654.4259 719.7370 890.3978 901.0971 904.8023 909.1869 1196.7235 1202.0152 1203.0799 1204.3499 1205.9732 1559.5281 1561.0857 1566.3137 1567.3330 -1.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl S F F F F O O O O O N N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H -0.064641 0.849182 -0.218660 -0.158396 -0.162496 -0.165432 -0.523777 -0.513831 -0.473532 -0.369279 -0.340282 -0.188147 -0.395873 -0.117060 -0.131993 0.086562 -0.257796 -0.278211 -0.191099 0.071269 0.094492 0.156856 -0.084748 0.354738 -0.022218 0.288205 0.225403 -0.166690 0.115075 -0.204707 -0.213806 0.536747 0.055741 0.058632 0.054842 0.099830 0.110351 0.071091 0.066070 0.112007 0.085886 0.066449 0.101759 0.126451 0.091962 0.118249 0.118631 0.126192 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl S F F F F O O O O O N N N N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H 17.0646 15.1508 9.2187 9.1584 9.1625 9.1654 8.5238 8.5138 8.4735 8.3693 8.3403 7.1881 7.3959 7.1171 7.1320 5.9134 6.2578 6.2782 6.1911 5.9287 5.9055 5.8431 6.0847 5.6453 6.0222 5.7118 5.7746 6.1667 5.8849 6.2047 6.2138 5.4633 0.9443 0.9414 0.9452 0.9002 0.8896 0.9289 0.9339 0.8880 0.9141 0.9336 0.8982 0.8735 0.9080 0.8818 0.8814 0.8738 17.0000 16.0000 9.0000 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.0646 0.8492 -0.2187 -0.1584 -0.1625 -0.1654 -0.5238 -0.5138 -0.4735 -0.3693 -0.3403 -0.1881 -0.3959 -0.1171 -0.1320 0.0866 -0.2578 -0.2782 -0.1911 0.0713 0.0945 0.1569 -0.0847 0.3547 -0.0222 0.2882 0.2254 -0.1667 0.1151 -0.2047 -0.2138 0.5367 0.0557 0.0586 0.0548 0.0998 0.1104 0.0711 0.0661 0.1120 0.0859 0.0664 0.1018 0.1265 0.0920 0.1182 0.1186 0.1262 1.2403 6.0751 1.0722 1.1502 1.1420 1.1396 1.9678 1.9756 2.0129 2.1459 2.1724 2.9213 2.6919 3.1116 3.2991 3.9427 3.9185 3.9190 3.9622 3.4247 3.7271 4.3847 4.1347 4.2688 3.9445 4.2851 4.1554 3.8423 3.8640 4.0752 3.8644 4.4155 1.0401 1.0071 1.0068 1.0218 1.0118 1.0075 1.0016 1.0331 0.9959 0.9784 1.0552 1.0271 1.0361 1.0030 0.9898 1.0276 1.2403 6.0751 1.0722 1.1502 1.1420 1.1396 1.9678 1.9756 2.0129 2.1459 2.1724 2.9213 2.6919 3.1116 3.2991 3.9427 3.9185 3.9190 3.9622 3.4247 3.7271 4.3847 4.1347 4.2688 3.9445 4.2851 4.1554 3.8423 3.8640 4.0752 3.8644 4.4155 1.0401 1.0071 1.0068 1.0218 1.0118 1.0075 1.0016 1.0331 0.9959 0.9784 1.0552 1.0271 1.0361 1.0030 0.9898 1.0276 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 1.0165 0.1177 1.8685 1.8529 1.0066 1.1556 1.0342 1.1489 1.1275 1.1218 1.8514 1.9846 2.0167 0.9344 0.9412 1.5015 0.7575 1.1569 1.0898 1.0998 1.1959 0.9064 0.9580 0.9434 0.9977 0.9964 0.9837 0.9994 0.9938 0.9973 0.9827 0.9742 0.9914 0.9748 1.4038 1.3770 0.8660 1.4829 1.3394 0.9284 1.6602 0.9972 1.0948 1.5042 0.9779 1.3778 0.9763 0.9762 0.9782 0.9713 0 28 0 29 1 6 1 7 1 11 1 12 2 26 3 31 4 31 5 31 8 21 9 23 10 25 11 15 11 18 12 21 13 19 13 23 13 25 14 23 14 24 14 30 15 16 15 17 15 32 16 33 16 34 16 35 17 36 17 37 17 38 18 39 18 40 18 41 19 22 19 26 20 21 20 22 20 28 22 42 24 27 24 31 25 27 26 29 27 43 28 29 29 44 30 45 30 46 30 47 -0.029078031 -2510.690787616624 -52.74865 59.06577 6.31712 0.83785 -3.13025 -2.29240 21.54884 -19.50872 2.04012 7.02305 17.85117