Orca 4.2.1 RELEASE 1 2 3 4 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 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 O O O 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 C C H H H H H H H H H H H H H H H H H H 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 412.2252999999997 AuxInfo=1/0/N:28,30,29,31,18,16,17,26,27,14,15,22,24,23,25,13,19,20,21,9,11,10,12,3,8,4,6,5,7,1,2/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13,14,15)(18,19)(20,21,22,23)(26,27,28,29)(30,31)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.2,21.2,22.2,23.2,25.1/rA:49nOOOOOOOO1N2N2N2N2C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCCCHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;;s1s13;s2s13;s14;s15;s16s17;s3s8s13;s1s9s11;s2s10s12;s4s9;s5s10;s6s11;s7s12;s22s24;s23s25;s4;s5;s6;s7;s16;s17;s18;s26;s27;s3;s28;s28;s28;s29;s29;s29;s30;s30;s30;s31;s31;s31;/rC:1.9956,1.8155,.0586;-1.6003,-1.1514,-1.1027;.3075,.6383,1.8602;4.0765,-2.2292,.3928;-5.7218,-2.7004,-.1501;5.7006,1.5158,2.6077;-4.9776,1.866,-.5746;-.0449,-1.4461,1.1545;3.0012,-.225,.1967;-3.6283,-1.927,-.6328;3.8163,1.68,1.3269;-3.2512,.3957,-.8315;.1608,.312,-.4448;1.0783,1.2985,-.8201;-.735,-.1347,-1.413;1.0814,1.83,-2.0947;-.7511,.3946,-2.6918;.157,1.3816,-3.0257;.1363,-.2794,.9212;2.9777,1.038,.5454;-2.8864,-.8632,-.8457;3.9957,-.9474,.7001;-4.9075,-1.6852,-.3807;4.8081,.9471,1.8165;-4.5373,.6198,-.5888;4.9594,-.4062,1.5372;-5.443,-.4028,-.3493;3.0845,-2.791,-.4647;-5.1914,-4.022,-.1663;5.5694,2.9017,2.9083;-4.0501,2.9177,-.8305;1.8085,2.5872,-2.3562;-1.4653,.0328,-3.4192;.1553,1.7998,-4.0229;5.7704,-.9926,1.9437;-6.4885,-.2175,-.1504;.317,.2181,2.7347;3.3526,-3.8388,-.5745;2.0874,-2.7167,-.0316;3.0834,-2.316,-1.446;-6.0296,-4.6769,.0575;-4.7836,-4.2832,-1.143;-4.4191,-4.1578,.5911;4.6368,3.1167,3.4304;6.4065,3.1401,3.5597;5.6278,3.5183,2.011;-3.2526,2.9436,-.0879;-3.6077,2.8336,-1.8233;-4.6265,3.8375,-.7712; 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 Number of auxiliary basis functions 1717 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 224 Dim 1213 ENuc 3139.5204733020 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off 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 LIBINT 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 5.141e-06 Time for diagonalization 0.466 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.328 sec Total time needed 0.798 sec 8 8 8 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 412.2252999999997 AuxInfo=1/0/N:28,30,29,31,18,16,17,26,27,14,15,22,24,23,25,13,19,20,21,9,11,10,12,3,8,4,6,5,7,1,2/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13,14,15)(18,19)(20,21,22,23)(26,27,28,29)(30,31)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.2,21.2,22.2,23.2,25.1/rA:49nOOOOOOOO1N2N2N2N2C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCCCHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;;s1s13;s2s13;s14;s15;s16s17;s3s8s13;s1s9s11;s2s10s12;s4s9;s5s10;s6s11;s7s12;s22s24;s23s25;s4;s5;s6;s7;s16;s17;s18;s26;s27;s3;s28;s28;s28;s29;s29;s29;s30;s30;s30;s31;s31;s31;/rC:1.9956,1.8155,.0586;-1.6003,-1.1513,-1.1027;.3075,.6383,1.8602;4.0765,-2.2292,.3928;-5.7218,-2.7004,-.1501;5.7006,1.5158,2.6077;-4.9776,1.866,-.5746;-.0449,-1.4461,1.1545;3.0012,-.225,.1967;-3.6283,-1.927,-.6328;3.8163,1.68,1.3269;-3.2512,.3957,-.8315;.1608,.312,-.4448;1.0783,1.2985,-.8201;-.735,-.1347,-1.413;1.0814,1.83,-2.0947;-.7511,.3946,-2.6918;.157,1.3816,-3.0257;.1363,-.2794,.9212;2.9777,1.038,.5454;-2.8864,-.8632,-.8457;3.9957,-.9474,.7001;-4.9075,-1.6852,-.3807;4.8081,.9471,1.8165;-4.5372,.6198,-.5888;4.9594,-.4062,1.5372;-5.443,-.4028,-.3493;3.0845,-2.791,-.4647;-5.1914,-4.022,-.1663;5.5694,2.9017,2.9083;-4.0501,2.9177,-.8305;1.8085,2.5872,-2.3562;-1.4653,.0328,-3.4192;.1553,1.7998,-4.0229;5.7704,-.9925,1.9437;-6.4885,-.2175,-.1504;.317,.2181,2.7347;3.3526,-3.8388,-.5745;2.0874,-2.7167,-.0316;3.0834,-2.316,-1.446;-6.0296,-4.6769,.0575;-4.7836,-4.2832,-1.143;-4.4191,-4.1578,.5911;4.6368,3.1167,3.4304;6.4065,3.1401,3.5597;5.6278,3.5183,2.011;-3.2526,2.9436,-.0879;-3.6077,2.8336,-1.8233;-4.6265,3.8375,-.7712; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 cpcm smd true smdsolvent "1-OCTANOL" 412.2252999999997 AuxInfo=1/0/N:28,30,29,31,18,16,17,26,27,14,15,22,24,23,25,13,19,20,21,9,11,10,12,3,8,4,6,5,7,1,2/E:(1,2,3,4)(6,7)(8,9)(10,11)(12,13,14,15)(18,19)(20,21,22,23)(26,27,28,29)(30,31)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.2,21.2,22.2,23.2,25.1/rA:49nOOOOOOOO1N2N2N2N2C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CCCCHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;;;s1s13;s2s13;s14;s15;s16s17;s3s8s13;s1s9s11;s2s10s12;s4s9;s5s10;s6s11;s7s12;s22s24;s23s25;s4;s5;s6;s7;s16;s17;s18;s26;s27;s3;s28;s28;s28;s29;s29;s29;s30;s30;s30;s31;s31;s31;/rC:1.9956,1.8155,.0586;-1.6003,-1.1514,-1.1027;.3075,.6383,1.8602;4.0765,-2.2292,.3928;-5.7218,-2.7004,-.1501;5.7006,1.5158,2.6077;-4.9776,1.866,-.5746;-.0449,-1.4461,1.1545;3.0012,-.225,.1967;-3.6283,-1.927,-.6328;3.8163,1.68,1.3269;-3.2512,.3957,-.8315;.1608,.312,-.4448;1.0783,1.2985,-.8201;-.735,-.1347,-1.413;1.0814,1.83,-2.0947;-.7511,.3946,-2.6918;.157,1.3816,-3.0257;.1363,-.2794,.9212;2.9777,1.038,.5454;-2.8864,-.8632,-.8457;3.9957,-.9474,.7001;-4.9075,-1.6852,-.3807;4.8081,.9471,1.8165;-4.5373,.6198,-.5888;4.9594,-.4062,1.5372;-5.443,-.4028,-.3493;3.0845,-2.791,-.4647;-5.1914,-4.022,-.1663;5.5694,2.9017,2.9083;-4.0501,2.9177,-.8305;1.8085,2.5872,-2.3562;-1.4653,.0328,-3.4192;.1553,1.7998,-4.0229;5.7704,-.9926,1.9437;-6.4885,-.2175,-.1504;.317,.2181,2.7347;3.3526,-3.8388,-.5745;2.0874,-2.7167,-.0316;3.0834,-2.316,-1.446;-6.0296,-4.6769,.0575;-4.7836,-4.2832,-1.143;-4.4191,-4.1578,.5911;4.6368,3.1167,3.4304;6.4065,3.1401,3.5597;5.6278,3.5183,2.011;-3.2526,2.9436,-.0879;-3.6077,2.8336,-1.8233;-4.6265,3.8375,-.7712; Epsilon 9.8629 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES Epsilon function type CPCM O N C H 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! ( 0.7s) GEPOL surface points 2350 GEPOL Volume 2816.3974 GEPOL Surface-area 1438.2251 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.4s) Overall time for CPCM initialization 1.2s -1555.84873058 3139.52047330 -4695.36920388 -8370.54743926 3675.17823538 -0.03903278 -3105.58906951 1549.74033894 2.00394156 112.000034660994 112.000034660994 224.000069321989 -143.549646946386 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -525.0674 -524.9943 -524.8431 -524.6957 -524.6856 -524.6804 -524.6689 -523.2973 -392.4525 -392.4428 -392.4171 -392.3972 -283.7685 -283.4827 -283.4421 -282.7817 -282.7771 -282.7486 -282.7413 -282.0426 -282.0111 -280.8276 -280.8170 -280.8024 -280.7829 -280.5952 -280.1816 -279.9762 -279.9753 -279.6187 -279.5960 -34.0247 -33.8652 -33.6951 -33.1720 -33.1529 -33.0917 -33.0750 -31.2196 -30.0952 -30.0443 -27.7154 -27.6680 -27.1904 -25.2035 -25.0193 -24.5686 -24.0518 -23.2844 -23.2654 -22.3217 -22.0721 -21.9402 -21.6170 -21.0714 -20.2946 -20.1808 -19.7068 -19.4356 -18.7833 -18.2392 -18.1908 -18.0613 -17.4831 -17.2066 -17.0209 -16.6827 -16.5309 -16.5040 -16.4857 -16.4340 -16.2113 -15.8209 -15.7947 -15.7558 -15.6814 -15.6470 -15.3208 -15.2656 -14.8744 -14.6998 -14.6043 -14.5704 -14.4228 -14.0254 -13.9028 -13.8743 -13.6547 -13.2278 -12.9596 -12.8362 -12.7365 -12.6558 -12.6351 -12.5051 -12.4438 -12.3303 -12.2642 -11.8135 -11.6549 -11.5972 -11.2591 -11.2144 -10.6369 -10.3299 -10.2574 -10.1609 -10.1430 -9.5998 -9.3549 -8.9157 -8.8435 0.5541 1.3548 1.7753 1.8175 1.8568 1.9787 3.0316 3.1674 3.5131 3.8629 3.9100 4.0662 4.0887 4.4151 4.4415 4.7813 4.8066 4.8620 4.8836 4.9394 5.0137 5.1755 5.4672 5.5253 5.5803 5.6183 5.7078 5.8282 5.9308 5.9388 5.9883 6.1201 6.2110 6.3737 6.4207 6.5186 6.6812 6.8737 6.9416 7.2201 7.3191 7.3427 7.4727 7.7048 7.7710 7.9044 8.0141 8.0928 8.1330 8.1908 8.2277 8.3356 8.4001 8.4890 8.6196 8.7721 8.8339 8.9926 9.0583 9.0795 9.4135 9.4586 9.6089 9.7933 9.8534 9.9883 10.0713 10.1579 10.2765 10.3490 10.4393 10.5025 10.5354 10.6360 10.7422 10.8615 10.9456 11.0971 11.1245 11.2828 11.4156 11.5125 11.5712 11.6409 11.7103 11.8942 11.9462 12.0587 12.1599 12.2164 12.3370 12.3922 12.4524 12.5571 12.6555 12.7433 12.8281 12.8777 13.0344 13.1984 13.3356 13.3649 13.4965 13.5190 13.6997 13.7354 13.8468 13.9426 13.9623 14.1625 14.2433 14.2882 14.3425 14.3850 14.5064 14.5786 14.6122 14.6481 14.7420 14.7978 14.8879 15.0031 15.1071 15.1776 15.3240 15.4051 15.4612 15.5878 15.6451 15.8226 16.0063 16.1317 16.1562 16.2660 16.4078 16.4678 16.6216 16.6295 16.7291 16.8164 16.9192 17.2055 17.4011 17.5134 17.6480 17.6508 17.9798 18.0241 18.0868 18.3058 18.3649 18.4033 18.5590 18.7667 18.8242 18.9417 19.0606 19.1219 19.2456 19.3861 19.4595 19.5185 19.5888 19.6434 19.8059 19.9730 20.0431 20.1839 20.3113 20.4453 20.5574 20.6796 20.8477 20.8789 21.0095 21.0388 21.1521 21.2677 21.3481 21.4972 21.7627 21.8480 21.9353 22.0974 22.1904 22.3144 22.4656 22.5410 22.5890 22.6735 22.8057 23.0187 23.2512 23.3566 23.5210 23.7054 23.8067 24.1374 24.1802 24.3900 24.4494 24.5065 24.7123 24.7784 24.8646 24.9628 25.0852 25.1946 25.3305 25.3948 25.5498 25.6627 25.8106 25.8928 26.1325 26.2153 26.3283 26.6422 26.7015 27.1019 27.2805 27.3266 27.3742 27.4645 27.5318 27.6043 27.7651 27.8705 27.9457 28.1059 28.2095 28.3436 28.6109 28.6289 28.7543 28.8207 28.9904 29.2044 29.3117 29.3657 29.6200 29.7179 29.8287 29.9178 30.0058 30.1612 30.2862 30.4213 30.4740 30.7568 30.9264 31.0298 31.1888 31.4092 31.4530 31.6045 31.6219 31.7677 31.8655 31.9091 32.0667 32.1293 32.3155 32.3980 32.7226 32.7441 32.9315 32.9875 33.0471 33.1175 33.3131 33.4584 33.5456 33.6070 33.6358 33.8752 34.2802 34.3786 34.6659 34.7843 34.8410 34.8999 35.1401 35.2847 35.4741 35.7014 35.7765 35.8973 36.0147 36.1196 36.3127 36.6820 36.8229 37.1440 37.3242 37.4005 37.5169 37.7743 38.1301 38.3744 38.6136 38.7074 38.7316 38.8043 38.9855 39.0784 39.2088 39.3105 39.4959 39.6106 39.7308 39.8686 40.2037 40.4133 40.5536 40.6267 40.8443 40.9260 41.0649 41.1793 41.3079 41.5458 41.6028 41.7116 41.8364 41.8669 41.9690 42.1252 42.2430 42.3411 42.4117 42.4494 42.5276 42.6232 42.7873 43.0125 43.0457 43.1891 43.2213 43.2768 43.4427 43.6440 43.8063 43.9923 44.1214 44.4254 44.5460 44.6497 44.7552 45.0582 45.1332 45.2529 45.5274 45.7687 45.8762 45.9615 46.0195 46.0764 46.1637 46.2876 46.5257 46.6286 46.6544 47.1103 47.3569 47.3701 47.7741 47.8703 47.9265 48.1318 48.1722 48.2763 48.3819 48.6106 48.8342 48.9431 49.0999 49.2861 49.5006 49.7241 49.7621 49.8376 49.8741 50.2716 50.4314 50.7969 51.1197 51.4050 51.6536 51.7671 52.0665 52.4229 52.5824 52.6954 52.7592 52.8865 52.9889 53.0734 53.1343 53.2916 53.3360 53.4622 53.8354 53.9459 54.2114 54.3981 54.4587 54.6100 55.0353 55.2721 55.5040 55.5369 55.7755 56.0061 56.2740 56.6059 56.7953 57.0332 57.1973 57.3927 57.4556 57.4953 57.7814 57.8858 58.0958 58.3177 58.5665 58.7510 58.9674 59.2897 59.3571 59.6340 59.7977 59.9376 60.0938 60.1839 60.3280 60.4496 60.7131 61.0624 61.1820 61.5179 61.5687 61.6933 61.8762 61.9314 62.2489 62.4094 62.6092 62.9361 63.2913 63.4930 63.6182 63.9023 64.1469 64.2999 64.4098 64.5609 64.7870 65.0326 65.5336 65.6523 65.9010 66.0562 66.1393 66.8468 67.0246 67.1516 67.3932 67.6778 67.9176 68.0862 68.2825 68.3154 68.5481 68.5676 68.6841 69.0901 69.1176 69.2822 69.7194 69.9311 70.0937 70.3615 70.5181 70.5891 70.9162 71.0726 71.4972 72.1480 72.2440 72.4471 72.4886 72.6335 72.8165 73.1529 73.2842 73.5739 74.0212 74.0818 74.4852 74.5337 74.7381 74.9321 75.3606 75.4806 76.1459 76.1838 76.3962 76.5654 76.5974 76.7306 77.1843 77.2648 77.3662 77.4545 77.4894 77.6889 77.8107 78.0013 78.0798 78.2714 78.5159 78.6863 78.7436 78.8764 78.8802 78.9350 79.1107 79.1684 79.2687 79.4754 79.5308 79.7460 79.8493 80.0449 80.0961 80.2607 80.3980 80.4902 80.6027 80.6650 80.6820 80.9221 80.9959 81.2301 81.3509 81.4694 81.6025 81.8986 82.0694 82.1148 82.3369 82.6922 82.7894 82.8749 83.0315 83.0583 83.1934 83.2635 83.4206 83.5054 83.6030 83.7830 83.8096 83.8814 83.9340 83.9704 84.0395 84.1078 84.2467 84.4308 84.4728 84.5717 84.6817 84.8144 84.9205 85.1820 85.3006 85.4689 85.6265 85.7567 85.8658 85.9584 86.2086 86.2417 86.3699 86.4127 86.4731 86.5532 86.8126 86.9004 86.9594 87.0911 87.2269 87.4106 87.4435 87.6136 87.6778 87.7197 87.8156 88.0388 88.1455 88.1652 88.3823 88.3988 88.5421 88.6003 88.6663 88.7728 88.9548 89.1952 89.3324 89.5177 89.6026 89.7681 90.0471 90.4224 90.5734 90.6056 90.7883 90.9191 91.0086 91.1698 91.3139 91.4775 91.7073 91.8333 92.2347 92.3642 92.4455 92.5791 92.6714 92.7286 92.8061 92.8659 92.9564 93.0408 93.0728 93.2962 93.3430 93.3781 93.4503 93.5361 93.6965 93.7935 94.0503 94.1527 94.1935 94.3669 94.4700 94.5844 94.6647 94.7760 94.9787 95.0098 95.3238 95.4638 95.5230 95.5483 95.7715 95.9095 96.0346 96.0946 96.2472 96.2963 96.4713 96.5292 96.6362 96.9831 97.2021 97.3119 97.3397 97.4586 97.5867 97.7681 97.8281 97.9092 97.9985 98.2129 98.2286 98.4542 98.7375 98.8100 98.9859 99.0760 99.2883 99.4838 99.6804 99.8879 100.0453 100.2214 100.3791 100.5215 100.7652 101.0320 101.2793 101.3172 101.4539 101.6173 101.7291 102.0119 102.3925 102.5520 102.6221 102.7872 102.8515 102.9582 103.0499 103.2697 103.8379 103.8775 103.9489 104.3177 104.5258 104.5825 104.6475 104.7682 104.9016 105.0685 105.1063 105.2264 105.3816 105.6116 105.7257 106.0203 106.1688 106.5423 106.6022 106.6545 106.6773 106.7428 106.8208 107.0206 107.0609 107.2011 107.2653 107.4713 107.5831 107.8423 108.2805 108.6474 108.7074 109.0688 109.1365 109.2219 109.4099 109.6663 109.9583 110.1205 110.2630 110.4577 110.5345 110.8213 111.1156 111.2834 111.3367 111.3739 111.4948 111.6947 111.8098 112.4009 112.5186 112.5820 112.9278 113.2903 113.3150 113.4061 113.5213 113.6421 113.8758 114.1006 114.1507 114.2896 114.3377 114.4555 114.6522 114.7624 114.8653 115.1363 115.1585 115.2510 115.3110 115.4456 115.7355 115.7760 116.0779 116.2789 116.2927 116.5841 116.7796 117.1326 117.3914 117.5049 117.5927 117.8463 117.9648 118.1014 118.1687 118.2520 118.3021 118.3881 118.5468 118.7091 119.0121 119.1459 119.5135 119.7002 119.8615 120.0992 120.2423 120.5167 120.7095 120.9925 121.8414 122.1277 122.4389 122.6467 122.8075 122.9590 123.2148 123.3032 123.8129 123.8581 124.2079 124.4551 124.4927 124.5479 124.6827 125.4967 125.6093 126.1211 126.3674 126.4921 126.6974 126.7170 126.7659 126.8198 127.0190 127.0989 127.3267 127.5871 128.0418 128.5386 128.6080 128.7893 128.8419 129.0090 129.1587 129.5654 129.9601 130.1312 130.2334 130.7578 131.0584 131.5562 131.8656 132.1769 132.3820 132.8147 132.8986 133.2896 133.6932 133.7352 134.2581 134.5377 134.7846 134.8165 134.9034 135.0437 135.1780 135.3018 135.4319 136.0455 136.1405 136.4501 136.5439 136.6621 136.7036 137.3543 137.8800 138.0191 138.2978 138.3631 138.4865 138.7333 139.8318 140.0765 140.1425 140.2898 140.4351 140.5183 140.6085 140.6189 140.7673 140.8789 140.9821 141.2013 141.6249 141.7326 141.7635 141.8310 141.8833 142.3859 142.7066 142.7619 142.8538 143.0532 143.1897 143.2929 143.5173 143.6853 143.7303 143.8939 144.2114 144.3880 144.5013 144.6728 144.9719 145.1440 145.4035 145.4362 145.8957 146.2626 146.3037 146.4272 146.8754 146.9818 147.2703 147.3849 147.5617 147.6608 147.8904 147.9678 148.0991 148.3142 148.3653 148.6029 148.7550 148.9751 149.1923 149.6635 149.7155 150.3297 150.5726 150.7626 150.9668 151.0284 151.2344 151.3262 151.5887 152.0871 152.9397 153.1870 153.4356 153.6517 154.1093 154.2378 154.2901 154.4034 154.4423 154.6727 155.1235 155.1963 155.2011 155.2871 155.5120 155.6357 155.7529 155.9306 156.1169 156.3445 156.4973 157.2131 158.0523 159.1300 159.6314 160.1198 160.4373 160.5266 162.2649 162.3458 162.5219 162.5470 162.9651 163.5121 163.7757 164.0580 164.5671 164.7021 164.8799 165.0196 165.3160 165.6727 165.9841 166.6343 167.0661 167.1192 167.5436 168.2194 168.2994 168.4610 168.4734 168.5212 169.3470 169.4004 170.6240 171.2587 171.4443 171.9738 173.2930 175.1158 175.8829 176.6431 176.7924 177.0152 178.3679 179.1738 179.7268 179.8071 181.0648 181.4072 182.1284 182.8660 184.2752 184.9142 184.9328 184.9883 185.0456 185.2201 185.6916 185.8335 186.1720 187.1438 187.3848 187.4085 188.1947 188.3495 188.4866 189.1470 189.4865 190.0039 190.4052 190.7940 190.9753 191.1477 191.2434 191.4875 191.4998 193.0082 194.2266 194.3317 195.2704 195.8963 197.2500 200.0655 200.6359 200.9126 201.1519 201.2300 201.2438 201.8675 205.4163 205.5049 205.7668 205.8248 206.7519 207.1599 207.2403 208.5879 617.1385 629.8658 629.8943 631.7931 632.5898 634.4386 634.7826 635.0613 636.2650 641.7765 642.1815 643.3548 643.8007 644.3310 645.5062 645.5522 646.3803 646.4124 655.4923 887.8106 888.0116 896.8495 897.1030 1201.2965 1201.4931 1207.7806 1207.8749 1209.5502 1209.6044 1213.9705 1214.8733 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 O O O 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 C C H H H H H H H H H H H H H H H H H H -0.292709 -0.290305 -0.276198 -0.295022 -0.296790 -0.295206 -0.297742 -0.405140 -0.398398 -0.396470 -0.394229 -0.395379 0.026042 0.188796 0.243245 -0.185958 -0.163427 -0.125599 0.369614 0.368465 0.371266 0.400887 0.417700 0.419658 0.385354 -0.327373 -0.323224 -0.113195 -0.113593 -0.113562 -0.107115 0.151517 0.147955 0.164122 0.143054 0.141939 0.251339 0.133034 0.112065 0.110071 0.129730 0.111593 0.112871 0.111964 0.130021 0.112592 0.111050 0.109661 0.131027 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 O O O 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 C C H H H H H H H H H H H H H H H H H H 8.2927 8.2903 8.2762 8.2950 8.2968 8.2952 8.2977 8.4051 7.3984 7.3965 7.3942 7.3954 5.9740 5.8112 5.7568 6.1860 6.1634 6.1256 5.6304 5.6315 5.6287 5.5991 5.5823 5.5803 5.6146 6.3274 6.3232 6.1132 6.1136 6.1136 6.1071 0.8485 0.8520 0.8359 0.8569 0.8581 0.7487 0.8670 0.8879 0.8899 0.8703 0.8884 0.8871 0.8880 0.8700 0.8874 0.8890 0.8903 0.8690 8.0000 8.0000 8.0000 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 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 -0.2927 -0.2903 -0.2762 -0.2950 -0.2968 -0.2952 -0.2977 -0.4051 -0.3984 -0.3965 -0.3942 -0.3954 0.0260 0.1888 0.2432 -0.1860 -0.1634 -0.1256 0.3696 0.3685 0.3713 0.4009 0.4177 0.4197 0.3854 -0.3274 -0.3232 -0.1132 -0.1136 -0.1136 -0.1071 0.1515 0.1480 0.1641 0.1431 0.1419 0.2513 0.1330 0.1121 0.1101 0.1297 0.1116 0.1129 0.1120 0.1300 0.1126 0.1110 0.1097 0.1310 2.1010 2.1103 2.2192 2.1262 2.1220 2.1239 2.1216 2.0663 2.9122 2.9593 2.9565 2.9170 3.5894 3.8692 3.7749 4.0016 3.9894 3.9106 4.2508 4.2882 4.2782 4.0450 4.0041 4.0040 4.0617 3.9237 3.9159 3.8400 3.8483 3.8474 3.8505 1.0002 0.9988 0.9858 1.0168 1.0169 0.9993 0.9942 1.0015 0.9972 0.9932 0.9971 0.9967 0.9970 0.9932 0.9969 0.9964 0.9945 0.9935 2.1010 2.1103 2.2192 2.1262 2.1220 2.1239 2.1216 2.0663 2.9122 2.9593 2.9565 2.9170 3.5894 3.8692 3.7749 4.0016 3.9894 3.9106 4.2508 4.2882 4.2782 4.0450 4.0041 4.0040 4.0617 3.9237 3.9159 3.8400 3.8483 3.8474 3.8505 1.0002 0.9988 0.9858 1.0168 1.0169 0.9993 0.9942 1.0015 0.9972 0.9932 0.9971 0.9967 0.9970 0.9932 0.9969 0.9964 0.9945 0.9935 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.9122 1.1154 0.9082 1.1215 1.2861 0.9334 1.2016 0.8676 1.1930 0.8717 1.1939 0.8713 1.1950 0.8712 1.9647 1.4375 1.3377 1.5486 1.3209 1.5583 1.3165 1.4220 1.3597 1.3186 1.3327 0.9118 1.4643 1.4044 1.3990 0.9824 1.4191 0.9863 0.9754 1.3889 1.3783 1.3803 1.3908 0.9763 0.9768 0.9837 0.9727 0.9800 0.9811 0.9787 0.9784 0.9789 0.9812 0.9782 0.9791 0.9789 0.9830 0 13 0 19 1 14 1 20 2 18 2 36 3 21 3 27 4 22 4 28 5 23 5 29 6 24 6 30 7 18 8 19 8 21 9 20 9 22 10 19 10 23 11 20 11 24 12 13 12 14 12 18 13 15 14 16 15 17 15 31 16 17 16 32 17 33 21 25 22 26 23 25 24 26 25 34 26 35 27 37 27 38 27 39 28 40 28 41 28 42 29 43 29 44 29 45 30 46 30 47 30 48 -0.024233328 -1555.872963905734 -0.85010 0.92827 0.07818 0.82934 0.20780 1.03714 -1.30047 0.72053 -0.57994 1.19084 3.02688