Orca 5.0.2 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 49 50 51 52 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 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 H H 1 1 1 2 3 3 3 3 3 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 4 4 4 4 4 4 4 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-1.4084,2.1803,-.0642;-1.305,1.9359,-2.278;-.983,-2.7592,1.0512;-3.7238,2.275,2.2683;1.3468,3.4023,-.0897;1.5167,1.9192,.0135;.6741,2.5134,-1.1185;.5637,4.1213,.9838;2.4809,4.2451,-.626;2.7702,1.218,-.3213;-.7543,2.1975,-1.2344;3.2981,.1804,.339;2.6987,-.4584,1.5548;4.6005,-.4196,-.0976;-2.7285,1.6573,-.0683;-2.7302,.1583,-.2543;-3.2738,2.0131,1.2429;-1.8524,-.6197,.4929;-3.5778,-.4306,-1.1801;-1.8335,-1.9878,.2948;-3.5533,-1.8077,-1.3571;-2.6764,-2.5934,-.6263;.2279,-3.1133,.5172;.7265,-2.5893,-.6694;.967,-4.0397,1.246;1.9714,-3.0096,-1.1235;2.2072,-4.445,.7795;2.7173,-3.9348,-.4087;.9313,1.4697,.8076;1.1516,2.5146,-2.0919;-.1125,3.4761,1.5381;1.2624,4.5495,1.7047;-.0157,4.9455,.5638;2.9917,3.7891,-1.4727;2.1054,5.2158,-.9542;3.2222,4.4247,.1548;3.3108,1.5921,-1.1856;1.665,-.1727,1.741;2.7342,-1.547,1.4738;3.2777,-.199,2.4455;5.0213,.0899,-.9642;5.3382,-.3813,.7084;4.4783,-1.4762,-.3506;-3.3528,2.1392,-.8275;-1.1837,-.1732,1.2202;-4.2535,.1818,-1.7633;-4.2141,-2.2705,-2.0776;-2.6464,-3.6663,-.767;.1692,-1.8604,-1.2433;.5682,-4.4387,2.1702;2.3578,-2.5987,-2.0472;2.7762,-5.1679,1.3497;3.6847,-4.2558,-.7717; 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 1647 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 200 Dim 1218 ENuc 2614.9589043893 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 5.982e-06 Time for diagonalization 0.446 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.314 sec Total time needed 0.771 sec 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 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 1 1 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-1.4084,2.1803,-.0642;-1.305,1.9359,-2.278;-.983,-2.7592,1.0512;-3.7238,2.275,2.2683;1.3468,3.4023,-.0897;1.5167,1.9192,.0135;.6741,2.5134,-1.1185;.5637,4.1213,.9838;2.4809,4.2451,-.626;2.7702,1.2179,-.3213;-.7543,2.1975,-1.2344;3.2981,.1804,.339;2.6987,-.4584,1.5548;4.6005,-.4196,-.0976;-2.7285,1.6573,-.0683;-2.7302,.1583,-.2543;-3.2738,2.0131,1.2429;-1.8524,-.6197,.4929;-3.5778,-.4306,-1.1801;-1.8335,-1.9878,.2948;-3.5533,-1.8077,-1.3571;-2.6764,-2.5934,-.6263;.2279,-3.1133,.5172;.7265,-2.5893,-.6694;.967,-4.0397,1.246;1.9714,-3.0096,-1.1235;2.2072,-4.445,.7795;2.7173,-3.9348,-.4087;.9313,1.4697,.8076;1.1516,2.5146,-2.0919;-.1125,3.4761,1.5381;1.2624,4.5495,1.7047;-.0157,4.9455,.5638;2.9917,3.7891,-1.4727;2.1054,5.2158,-.9542;3.2222,4.4247,.1548;3.3108,1.5921,-1.1856;1.665,-.1727,1.741;2.7342,-1.547,1.4738;3.2777,-.199,2.4455;5.0213,.0899,-.9642;5.3382,-.3813,.7084;4.4783,-1.4762,-.3506;-3.3528,2.1392,-.8275;-1.1837,-.1732,1.2202;-4.2535,.1818,-1.7633;-4.2141,-2.2705,-2.0776;-2.6464,-3.6663,-.767;.1692,-1.8604,-1.2433;.5682,-4.4387,2.1702;2.3578,-2.5987,-2.0472;2.7762,-5.1679,1.3497;3.6847,-4.2558,-.7717; 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 "WATER" 350.26169999999973 AuxInfo=1/0/N:13,14,8,9,28,26,27,21,19,24,25,22,10,18,17,12,16,23,20,6,15,7,11,5,4,2,3,1/E:(1,2)(3,4)(6,7)(10,11)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.2,16.3,17.3,18.3,19.3,23.3,25.1,26.1/rA:53nOO1ON1CCCCCC3C3C3CCCC3C2C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5s6;s5;s5;s6;s1s2s7;s10;s12;s12;s1;s15;s4s15;s16;s16;s3s18;s19;s20s21;s3;s23;s23;s24;s25;s26s27;s6;s7;s8;s8;s8;s9;s9;s9;s10;s13;s13;s13;s14;s14;s14;s15;s18;s19;s21;s22;s24;s25;s26;s27;s28;/rC:-1.4084,2.1803,-.0642;-1.305,1.9359,-2.278;-.983,-2.7592,1.0512;-3.7238,2.275,2.2683;1.3468,3.4023,-.0897;1.5167,1.9192,.0135;.6741,2.5134,-1.1185;.5637,4.1213,.9838;2.4809,4.2451,-.626;2.7702,1.218,-.3213;-.7543,2.1975,-1.2344;3.2981,.1804,.339;2.6987,-.4584,1.5548;4.6005,-.4196,-.0976;-2.7285,1.6573,-.0683;-2.7302,.1583,-.2543;-3.2738,2.0131,1.2429;-1.8524,-.6197,.4929;-3.5778,-.4306,-1.1801;-1.8335,-1.9878,.2948;-3.5533,-1.8077,-1.3571;-2.6764,-2.5934,-.6263;.2279,-3.1133,.5172;.7265,-2.5893,-.6694;.967,-4.0397,1.246;1.9714,-3.0096,-1.1235;2.2072,-4.445,.7795;2.7173,-3.9348,-.4087;.9313,1.4697,.8076;1.1516,2.5146,-2.0919;-.1125,3.4761,1.5381;1.2624,4.5495,1.7047;-.0157,4.9455,.5638;2.9917,3.7891,-1.4727;2.1054,5.2158,-.9542;3.2222,4.4247,.1548;3.3108,1.5921,-1.1856;1.665,-.1727,1.741;2.7342,-1.547,1.4738;3.2777,-.199,2.4455;5.0213,.0899,-.9642;5.3382,-.3813,.7084;4.4783,-1.4762,-.3506;-3.3528,2.1392,-.8275;-1.1837,-.1732,1.2202;-4.2535,.1818,-1.7633;-4.2141,-2.2705,-2.0776;-2.6464,-3.6663,-.767;.1692,-1.8604,-1.2433;.5682,-4.4387,2.1702;2.3578,-2.5987,-2.0472;2.7762,-5.1679,1.3497;3.6847,-4.2558,-.7717; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM O N C H 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.0s) GEPOL surface points 3163 GEPOL Volume 2684.7209 GEPOL Surface-area 1563.4125 Calculating surface distance matrix done! ( 0.2s) Performing Cholesky decomposition & store done! ( 0.6s) Overall time for CPCM initialization 0.7s -1210.09140794 2614.95890439 -3825.05031233 -6840.96933503 3015.91902271 -0.03729073 -2414.78387605 1204.69246812 2.00448159 100.000194563800 100.000194563800 200.000389127600 -118.584976435312 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -525.1595 -524.6166 -523.3204 -392.9703 -283.6692 -282.8488 -281.6119 -281.6041 -281.3192 -280.5550 -280.3691 -280.0955 -280.0557 -280.0371 -280.0072 -279.9903 -279.9693 -279.8040 -279.7993 -279.7769 -279.7193 -279.6777 -279.5623 -279.3233 -279.1764 -279.1472 -279.1425 -279.1214 -34.1370 -32.9279 -31.4757 -28.4855 -27.4742 -27.1974 -26.6230 -25.3773 -25.1445 -24.1895 -23.6357 -23.5986 -23.1894 -23.0263 -22.1535 -21.8163 -21.7333 -20.7524 -20.5634 -20.1168 -19.6678 -19.0821 -18.9263 -18.2515 -18.0627 -17.7675 -17.1342 -16.8700 -16.5663 -16.2467 -16.0882 -15.9476 -15.8377 -15.6794 -15.3776 -15.0068 -14.9414 -14.7360 -14.5799 -14.5246 -14.2867 -14.2763 -14.0190 -13.8745 -13.7916 -13.5735 -13.5055 -13.2695 -13.0958 -13.0593 -12.8820 -12.8050 -12.7786 -12.7071 -12.5333 -12.4824 -12.4151 -12.3540 -12.2507 -11.9145 -11.8389 -11.7845 -11.4950 -11.3318 -11.1888 -10.8534 -10.0581 -9.7016 -9.4452 -9.3681 -8.6526 -8.4058 0.8945 1.4046 1.6587 1.7327 2.0078 2.4958 2.8204 2.9310 3.2023 3.4763 3.6961 3.8143 4.1061 4.1294 4.2544 4.3467 4.5144 4.7281 4.7822 4.9731 5.0496 5.1390 5.1974 5.2380 5.3921 5.5290 5.6512 5.7470 5.7697 5.9251 6.0046 6.0416 6.2327 6.3029 6.4157 6.5020 6.5516 6.5837 6.8077 6.8521 7.0487 7.0748 7.2178 7.2717 7.3370 7.6053 7.6844 7.7305 7.8552 7.9435 7.9778 8.0538 8.1250 8.1643 8.2152 8.3510 8.3831 8.5126 8.5867 8.6609 8.9002 9.0362 9.1204 9.2516 9.2935 9.4010 9.6540 9.7144 9.8598 9.9977 10.1206 10.1927 10.2343 10.4948 10.6035 10.6586 10.6928 10.7626 10.8950 11.0568 11.0941 11.1678 11.2023 11.3754 11.4539 11.5203 11.5802 11.7078 11.8546 11.9162 12.0817 12.2451 12.3417 12.4743 12.4850 12.5886 12.6669 12.6918 12.8540 12.9753 13.0543 13.0877 13.1677 13.3300 13.3899 13.4452 13.5724 13.6962 13.7863 13.8326 13.9336 14.0273 14.1035 14.1835 14.2219 14.3932 14.4495 14.4969 14.5868 14.6997 14.8072 14.8603 14.9053 15.0479 15.1445 15.1799 15.3195 15.3818 15.4085 15.5395 15.6499 15.7229 15.7704 15.8518 16.0112 16.0960 16.1780 16.2686 16.3209 16.4008 16.5629 16.6196 16.7386 16.7662 16.8482 16.8857 17.0746 17.2008 17.3125 17.4515 17.5326 17.6959 17.7468 17.8746 17.9427 18.0302 18.1462 18.1614 18.3797 18.4288 18.5608 18.7134 18.7675 18.9662 19.0610 19.1575 19.3263 19.5533 19.7422 19.8678 19.9959 20.1471 20.1999 20.3367 20.4650 20.5810 20.6136 20.8128 20.9465 20.9925 21.1663 21.1834 21.3351 21.4560 21.7978 21.8300 21.9233 22.0572 22.2025 22.2637 22.3431 22.5915 22.7746 22.8006 22.8670 22.9445 23.1090 23.3013 23.3953 23.5404 23.6980 23.8103 23.9963 24.1519 24.3069 24.3320 24.5425 24.6301 24.7660 24.8903 25.0091 25.1058 25.3008 25.3919 25.4873 25.6667 25.8557 25.9239 26.1298 26.2828 26.3502 26.4407 26.6260 26.6346 26.8258 27.1361 27.2148 27.4749 27.5080 27.7931 27.9100 28.0941 28.1711 28.2806 28.3402 28.5726 28.6410 28.7444 28.8841 28.9879 29.1113 29.2595 29.4561 29.5831 29.7061 29.8383 29.9166 29.9320 30.1253 30.2716 30.4717 30.6003 30.6782 30.7971 30.9259 30.9637 31.1302 31.4061 31.5068 31.6077 31.7859 31.8254 31.9878 32.1332 32.1735 32.3076 32.4795 32.4859 32.8553 32.9220 32.9866 33.0689 33.1761 33.2557 33.3916 33.4240 33.5877 33.6828 33.7500 33.7839 34.0854 34.2522 34.3581 34.5401 34.6614 34.7707 34.8266 34.9882 35.1100 35.2579 35.4123 35.4949 35.5162 35.7685 35.9296 36.1102 36.1629 36.3791 36.4073 36.6482 36.6623 36.8540 36.9104 36.9881 37.1809 37.3261 37.3942 37.4742 37.6014 37.7062 37.8053 37.9637 38.1010 38.1222 38.2043 38.3014 38.4426 38.6046 38.6672 38.7740 38.8251 38.9906 39.1470 39.2823 39.3575 39.5294 39.6830 39.7234 39.9319 39.9936 40.0820 40.2539 40.3758 40.5310 40.5670 40.7260 40.9202 41.0522 41.1956 41.4404 41.4956 41.6824 41.7775 41.9584 42.1111 42.3225 42.4241 42.4935 42.6167 42.7048 42.7745 42.9329 43.0512 43.0988 43.1174 43.1881 43.3694 43.5422 43.5906 43.7078 43.8994 43.9877 44.0419 44.2631 44.4292 44.4827 44.6948 44.7391 44.8629 44.9202 45.0766 45.2267 45.3918 45.5707 45.7636 45.7764 45.8819 45.9676 46.1442 46.3169 46.3750 46.4633 46.6517 46.7990 46.9979 47.0466 47.1590 47.4479 47.5498 47.6207 47.8250 48.0471 48.1260 48.2565 48.3427 48.5614 48.6596 48.8508 49.0130 49.2111 49.3452 49.4890 49.5625 49.7098 49.7772 49.9443 50.1706 50.2766 50.5224 50.6199 50.8955 51.0769 51.2148 51.3569 51.5935 51.7660 52.0653 52.2494 52.4467 52.6063 52.8417 53.0537 53.2030 53.3050 53.7824 54.0331 54.1843 54.3957 54.7860 54.8327 55.1724 55.3696 55.7174 55.8809 56.0337 56.2405 56.3108 56.5040 56.8217 56.9942 57.2041 57.3270 57.5787 57.7247 58.0774 58.1772 58.4278 58.6344 58.6868 59.0127 59.1080 59.3545 59.7850 59.9618 60.1204 60.3718 60.6939 60.7889 61.1293 61.2488 61.4874 61.6811 61.7718 62.0316 62.5443 62.9952 63.0776 63.3839 63.5127 63.6016 63.7991 63.8847 64.1836 64.5720 64.7304 64.9113 65.1377 65.4698 65.6178 65.8352 65.9970 66.2215 66.5123 66.6776 66.9146 67.0025 67.3828 67.4764 67.6916 67.8281 67.8716 68.1261 68.2697 68.3443 68.6560 68.8341 69.2254 69.4925 69.7078 70.2204 70.3929 70.6587 70.9428 71.1142 71.3022 71.6095 71.9732 72.0608 72.1503 72.5030 72.6976 72.8218 73.0684 73.2372 73.4649 73.4925 73.9228 74.1905 74.2591 74.5830 74.6359 74.9474 75.1354 75.2127 75.3140 75.4126 75.5650 75.7634 75.9941 76.1623 76.2317 76.5126 76.7285 76.8718 76.9694 77.0824 77.1571 77.2401 77.4793 77.6988 77.8222 78.0156 78.1791 78.3439 78.4621 78.5489 78.6358 78.8131 78.8716 78.9481 79.0836 79.1547 79.3036 79.4407 79.4668 79.7326 79.8797 79.9205 79.9775 80.1317 80.3928 80.4865 80.6204 80.7574 80.8469 80.9111 81.0768 81.1457 81.2831 81.3157 81.5726 81.6617 81.8387 81.9188 82.1886 82.2524 82.4737 82.5027 82.7481 82.8932 82.9265 83.1462 83.2084 83.4046 83.5224 83.6262 83.7489 83.8184 83.8792 84.0891 84.2140 84.3692 84.4795 84.5594 84.7945 84.8397 84.8860 85.0375 85.1421 85.3431 85.4124 85.5759 85.6628 85.7858 85.8398 85.9191 86.0649 86.0977 86.2430 86.3553 86.4200 86.4618 86.6690 86.8206 86.9143 86.9765 87.0158 87.1173 87.2811 87.4631 87.6076 87.7714 87.8144 87.8683 88.0482 88.2085 88.4155 88.5017 88.6092 88.7598 88.8026 88.9891 89.0189 89.2005 89.3151 89.3225 89.4218 89.5548 89.6360 89.8670 90.0753 90.1640 90.2273 90.3518 90.5991 90.7480 90.8374 90.9858 91.0305 91.1455 91.2929 91.3919 91.4774 91.7034 91.9105 92.1351 92.2077 92.3826 92.5036 92.6007 92.6638 92.7446 92.8829 92.9396 93.0734 93.1374 93.2728 93.4687 93.5639 93.5857 93.6601 93.7339 93.8120 93.9453 94.0043 94.1598 94.3216 94.4443 94.4753 94.5654 94.7618 94.8832 95.0224 95.1472 95.2076 95.3221 95.4387 95.5035 95.6191 95.8849 95.9931 96.1536 96.2791 96.4907 96.5705 96.7204 96.7692 96.9944 97.0601 97.2373 97.5009 97.5653 97.7054 97.8285 97.8615 97.9451 98.0772 98.3013 98.5396 98.5427 98.8384 98.8668 98.9271 99.0984 99.2686 99.3752 99.5345 99.6190 99.7553 99.8939 99.9252 99.9955 100.1514 100.4322 100.5859 100.6262 100.8077 100.9303 101.0769 101.2992 101.4959 101.6455 101.7851 101.9526 102.0444 102.1266 102.3168 102.3708 102.6016 102.6893 102.8462 102.9746 103.2627 103.3840 103.5455 103.7828 104.1068 104.1742 104.3995 104.6448 104.6494 104.8270 104.9029 105.1669 105.2393 105.4963 105.5977 105.6681 105.7969 105.9627 105.9790 106.1595 106.2212 106.4563 106.5427 106.7776 106.9628 107.1956 107.2631 107.3356 107.4660 107.7591 107.8583 107.9889 108.0015 108.3504 108.6100 108.7816 108.8878 108.9576 109.0917 109.3717 109.4791 109.5772 109.7167 109.7577 109.7763 109.9344 110.1480 110.1795 110.3315 110.3572 110.3770 110.6186 110.6936 110.7492 110.9661 111.0391 111.1571 111.2721 111.3911 111.6546 111.8399 112.0150 112.0702 112.2506 112.5071 112.6167 112.7343 113.1145 113.1879 113.3254 113.5077 113.5983 113.9788 114.1084 114.1911 114.3724 114.6026 114.7761 114.8264 114.9287 115.1555 115.1661 115.2716 115.3489 115.4657 115.8080 115.9029 115.9446 116.1261 116.2202 116.3450 116.6223 116.7795 116.9457 117.0916 117.1367 117.3724 117.4313 117.5135 117.6449 117.7370 117.8942 117.9700 118.0420 118.1999 118.2358 118.3127 118.4275 118.5903 118.6761 118.8859 118.9701 119.0979 119.1930 119.2054 119.3918 119.5672 119.6741 119.7285 119.9252 119.9837 120.4087 120.4810 120.6401 120.8665 120.8904 121.0586 121.1038 121.4543 121.5326 121.8420 121.9740 122.0852 122.3452 122.6635 122.6799 122.8789 123.2115 123.3232 123.3610 123.5522 123.8204 123.8977 124.2843 124.4891 124.7089 124.9528 125.1578 125.6227 125.7377 125.9678 126.0609 126.4076 126.5404 126.6903 127.0198 127.1377 127.2452 127.3934 127.7085 128.1578 128.2810 128.3394 128.3820 128.7371 129.2104 129.3420 129.4611 129.7736 129.9985 130.0564 130.2104 130.3639 130.4252 130.5873 130.6914 130.9391 131.0276 131.1533 131.2382 131.4619 131.6180 131.7203 131.8342 131.9851 132.0942 132.4215 132.6435 132.7931 133.0241 133.1790 133.4160 133.5974 133.6225 133.9587 134.0189 134.3188 134.5320 134.6889 135.0364 135.3650 135.5561 135.8504 136.0450 136.2889 136.6849 136.7737 137.1310 137.6418 138.1850 138.2601 138.3126 138.6426 138.7747 139.1274 139.3763 139.4728 139.8142 140.2990 140.4862 140.8542 140.9605 141.0814 141.3133 141.4978 141.9100 141.9957 142.1849 142.5077 142.8087 143.2079 143.5690 143.8567 144.0185 144.5614 144.6459 144.7577 144.9113 145.0039 145.2175 145.2577 145.5746 145.7342 145.8506 145.8864 146.1491 146.3121 146.5952 146.7812 146.9263 147.1828 147.3688 147.5559 147.7522 147.7860 148.1459 148.2766 148.5750 148.7348 149.0169 149.4324 149.4932 149.7819 150.0201 150.0991 150.1903 150.4430 150.5541 150.6229 150.8848 151.0164 151.2147 151.3284 151.5928 152.0404 152.3278 152.6482 152.8794 153.1369 153.2997 153.5592 153.7323 154.6530 154.6984 154.7609 155.1610 155.4827 155.6224 156.0835 156.5658 156.8973 157.1146 157.7187 157.7719 157.9377 158.0875 158.2408 158.3461 158.8514 159.2806 159.4655 159.4708 160.0237 160.0931 160.3011 160.8386 161.2931 161.5502 161.8481 162.1741 162.6669 163.5467 163.9769 164.7035 165.5451 165.6674 165.9288 167.6128 168.2870 169.2088 170.0202 171.1439 172.2522 172.5377 173.4801 175.8264 176.1447 177.3690 178.4731 178.8363 181.9154 182.0510 184.0466 187.2419 187.7100 188.2206 188.2940 190.0313 191.1102 193.3798 193.7498 196.1316 197.0243 199.0590 200.5948 206.0814 206.9975 207.2169 621.1464 622.2158 623.9913 627.0146 630.8307 631.4844 631.9836 632.6228 634.0218 634.5711 635.6706 636.8029 637.0602 637.3276 639.9399 642.4692 643.1288 643.5201 645.3154 647.4243 650.4492 652.1023 657.3929 658.4145 877.2097 1199.2898 1212.8424 1215.8145 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 52 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 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 H H -0.275177 -0.473304 -0.339934 -0.099164 0.111992 0.046558 -0.080975 -0.269312 -0.280451 -0.275184 0.392528 -0.067894 -0.263238 -0.214705 0.397580 -0.013467 -0.227466 -0.177737 -0.163671 0.170261 -0.140488 -0.141011 0.307240 -0.183622 -0.240988 -0.193820 -0.109839 -0.198552 0.106264 0.089032 0.087260 0.094428 0.101827 0.090858 0.099211 0.098501 0.120874 0.094241 0.072155 0.120175 0.090988 0.099924 0.089097 0.145159 0.156099 0.150988 0.164540 0.157610 0.147553 0.144975 0.162951 0.158188 0.160945 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 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 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 H H 8.2752 8.4733 8.3399 7.0992 5.8880 5.9534 6.0810 6.2693 6.2805 6.2752 5.6075 6.0679 6.2632 6.2147 5.6024 6.0135 6.2275 6.1777 6.1637 5.8297 6.1405 6.1410 5.6928 6.1836 6.2410 6.1938 6.1098 6.1986 0.8937 0.9110 0.9127 0.9056 0.8982 0.9091 0.9008 0.9015 0.8791 0.9058 0.9278 0.8798 0.9090 0.9001 0.9109 0.8548 0.8439 0.8490 0.8355 0.8424 0.8524 0.8550 0.8370 0.8418 0.8391 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 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 1.0000 1.0000 -0.2752 -0.4733 -0.3399 -0.0992 0.1120 0.0466 -0.0810 -0.2693 -0.2805 -0.2752 0.3925 -0.0679 -0.2632 -0.2147 0.3976 -0.0135 -0.2275 -0.1777 -0.1637 0.1703 -0.1405 -0.1410 0.3072 -0.1836 -0.2410 -0.1938 -0.1098 -0.1986 0.1063 0.0890 0.0873 0.0944 0.1018 0.0909 0.0992 0.0985 0.1209 0.0942 0.0722 0.1202 0.0910 0.0999 0.0891 0.1452 0.1561 0.1510 0.1645 0.1576 0.1476 0.1450 0.1630 0.1582 0.1609 2.1195 2.0282 2.0573 3.1051 3.7040 3.7562 3.8501 3.9056 3.9205 3.8437 4.1653 3.7632 3.9461 3.9071 3.7543 3.6096 4.0800 3.9872 3.9472 3.8329 3.8893 3.9636 3.6360 3.7907 3.9737 3.8589 3.8689 3.8575 1.0082 1.0311 1.0113 1.0000 1.0006 1.0068 1.0007 1.0008 1.0117 1.0056 1.0006 1.0011 1.0092 0.9956 0.9992 1.0139 1.0089 1.0003 0.9880 0.9955 1.0094 1.0097 0.9899 0.9884 0.9898 2.1195 2.0282 2.0573 3.1051 3.7040 3.7562 3.8501 3.9056 3.9205 3.8437 4.1653 3.7632 3.9461 3.9071 3.7543 3.6096 4.0800 3.9872 3.9472 3.8329 3.8893 3.9636 3.6360 3.7907 3.9737 3.8589 3.8689 3.8575 1.0082 1.0311 1.0113 1.0000 1.0006 1.0068 1.0007 1.0008 1.0117 1.0056 1.0006 1.0011 1.0092 0.9956 0.9992 1.0139 1.0089 1.0003 0.9880 0.9955 1.0094 1.0097 0.9899 0.9884 0.9898 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 1.1388 0.8824 1.8637 0.8772 0.9726 3.0486 0.8922 0.9111 0.9309 0.9439 0.8540 0.9881 1.0094 1.0543 1.0067 0.9918 0.9899 0.9958 0.9901 0.9898 0.9965 1.8472 0.9700 0.9661 0.9595 1.0060 0.9813 0.9868 1.0016 0.9829 0.9778 0.8899 0.9421 0.9786 1.3238 1.3655 1.4410 0.9684 1.4235 0.9872 1.4047 1.4093 0.9785 0.9796 1.3030 1.3429 1.3684 0.9874 1.4531 0.9924 1.3979 0.9928 1.3785 0.9874 0.9930 0 10 0 14 1 10 2 19 2 22 3 16 4 5 4 6 4 7 4 8 5 6 5 9 5 28 6 10 6 29 7 30 7 31 7 32 8 33 8 34 8 35 9 11 9 36 11 12 11 13 12 37 12 38 12 39 13 40 13 41 13 42 14 15 14 16 14 43 15 17 15 18 17 19 17 44 18 20 18 45 19 21 20 21 20 46 21 47 22 23 22 24 23 25 23 48 24 26 24 49 25 27 25 50 26 27 26 51 27 52 -0.031291181 -1210.122699117922 29.90253 -28.44865 1.45388 6.46539 -6.87658 -0.41119 0.02492 -0.96566 -0.94074 1.77984 4.52401