Orca 5.0.2 RELEASE 1 2 3 4 5 11s6p2d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s3p2d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 F F F O O O O O N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H 1 1 1 2 2 2 2 2 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 405.21960959999967 AuxInfo=1/0/N:21,22,30,29,18,19,14,16,24,13,27,15,11,12,17,25,20,26,23,28,1,2,3,10,9,8,7,6,4,5/E:(1,2)(21,22,23)/CRV:5.3,6.3,7.3,8.3,9.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,24.2,25.2,26.1/rA:51nFFFOOOOO1N2N2C3C3CC3CC3C3C3C3C3CCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s11;s4s11;s11;s5;s12;s12;s14;s16s18;s4s9;s15;s15;s5s9s10;s20;s10s24;s6s8s17;s7s17;s1s2s3s25;s6;s7;s13;s13;s14;s15;s16;s18;s19;s21;s21;s21;s22;s22;s22;s24;s27;s29;s29;s29;s30;s30;s30;/rC:-3.0419,-3.3155,-.355;-3.7285,-1.8792,1.0906;-4.4555,-1.7998,-.9294;1.0643,-.9171,-1.745;-1.7823,2.3406,-.5402;.0128,-.5918,2.0684;2.2328,2.4109,.5794;1.5618,-2.117,1.5538;-.4261,.7393,-1.2228;-2.5555,.1897,-.3711;3.296,-.2815,-1.1068;3.2206,-.2259,.2907;2.1122,.0428,-1.9715;4.4988,-.6325,-1.7108;-2.989,2.8666,.0552;4.3482,-.5375,1.0437;1.9603,.1347,.9843;5.6216,-.9281,-.9512;5.5445,-.8845,.4321;-.1322,-.5311,-1.3384;-4.0544,3.0393,-1.0069;-2.5918,4.177,.6994;-1.6134,1.0435,-.7083;-1.0573,-1.5472,-1.032;-2.2556,-1.096,-.5565;1.1835,-.9624,1.5563;1.535,1.4073,1.0858;-3.3724,-2.0368,-.186;-.7885,-1.6036,2.676;1.6592,3.7104,.7248;1.7485,1.0521,-1.7922;2.383,-.0319,-3.0248;4.5563,-.6775,-2.7917;-3.3351,2.1732,.8234;4.2895,-.4988,2.1242;6.5486,-1.1985,-1.4395;6.4111,-1.1198,1.0359;-3.7275,3.7353,-1.7808;-4.9594,3.4434,-.5531;-4.3171,2.0935,-1.4802;-2.2283,4.8922,-.0401;-1.8183,4.0339,1.455;-3.4591,4.6164,1.1914;-.8097,-2.5907,-1.1553;.6113,1.665,1.5965;-1.0292,-2.4036,1.9769;-.2939,-2.027,3.5503;-1.7024,-1.1089,2.9901;1.4646,3.9382,1.7733;.7335,3.792,.1541;2.3842,4.4189,.3343; 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 1701 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 222 Dim 1224 ENuc 3237.9526605547 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 5.448e-06 Time for diagonalization 0.583 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.517 sec Total time needed 1.109 sec 9 9 9 8 8 8 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 405.21960959999967 AuxInfo=1/0/N:21,22,30,29,18,19,14,16,24,13,27,15,11,12,17,25,20,26,23,28,1,2,3,10,9,8,7,6,4,5/E:(1,2)(21,22,23)/CRV:5.3,6.3,7.3,8.3,9.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,24.2,25.2,26.1/rA:51nFFFOOOOO1N2N2C3C3CC3CC3C3C3C3C3CCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s11;s4s11;s11;s5;s12;s12;s14;s16s18;s4s9;s15;s15;s5s9s10;s20;s10s24;s6s8s17;s7s17;s1s2s3s25;s6;s7;s13;s13;s14;s15;s16;s18;s19;s21;s21;s21;s22;s22;s22;s24;s27;s29;s29;s29;s30;s30;s30;/rC:-3.0419,-3.3155,-.355;-3.7285,-1.8792,1.0906;-4.4555,-1.7998,-.9294;1.0643,-.9171,-1.745;-1.7823,2.3406,-.5402;.0128,-.5918,2.0684;2.2328,2.4109,.5794;1.5618,-2.117,1.5538;-.4261,.7394,-1.2228;-2.5555,.1897,-.3711;3.296,-.2815,-1.1068;3.2206,-.2259,.2907;2.1122,.0428,-1.9715;4.4988,-.6325,-1.7108;-2.989,2.8666,.0552;4.3482,-.5375,1.0437;1.9603,.1347,.9843;5.6216,-.9281,-.9512;5.5445,-.8845,.4321;-.1322,-.5311,-1.3384;-4.0544,3.0393,-1.0069;-2.5918,4.177,.6994;-1.6134,1.0435,-.7083;-1.0573,-1.5472,-1.032;-2.2556,-1.096,-.5565;1.1835,-.9624,1.5563;1.535,1.4073,1.0858;-3.3724,-2.0368,-.186;-.7885,-1.6036,2.676;1.6592,3.7104,.7248;1.7485,1.0521,-1.7922;2.3829,-.0319,-3.0248;4.5563,-.6775,-2.7917;-3.3351,2.1732,.8234;4.2895,-.4988,2.1242;6.5486,-1.1985,-1.4395;6.4111,-1.1198,1.0359;-3.7275,3.7353,-1.7808;-4.9594,3.4434,-.5531;-4.3171,2.0935,-1.4802;-2.2283,4.8922,-.0401;-1.8183,4.0339,1.455;-3.4591,4.6164,1.1914;-.8097,-2.5907,-1.1553;.6113,1.665,1.5965;-1.0292,-2.4036,1.9769;-.2939,-2.027,3.5503;-1.7024,-1.1089,2.9901;1.4646,3.9382,1.7733;.7335,3.792,.1541;2.3842,4.4189,.3343; 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" 405.21960959999967 AuxInfo=1/0/N:21,22,30,29,18,19,14,16,24,13,27,15,11,12,17,25,20,26,23,28,1,2,3,10,9,8,7,6,4,5/E:(1,2)(21,22,23)/CRV:5.3,6.3,7.3,8.3,9.3,11.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,24.2,25.2,26.1/rA:51nFFFOOOOO1N2N2C3C3CC3CC3C3C3C3C3CCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;;s11;s4s11;s11;s5;s12;s12;s14;s16s18;s4s9;s15;s15;s5s9s10;s20;s10s24;s6s8s17;s7s17;s1s2s3s25;s6;s7;s13;s13;s14;s15;s16;s18;s19;s21;s21;s21;s22;s22;s22;s24;s27;s29;s29;s29;s30;s30;s30;/rC:-3.0419,-3.3155,-.355;-3.7285,-1.8792,1.0906;-4.4555,-1.7998,-.9294;1.0643,-.9171,-1.745;-1.7823,2.3406,-.5402;.0128,-.5918,2.0684;2.2328,2.4109,.5794;1.5618,-2.117,1.5538;-.4261,.7393,-1.2228;-2.5555,.1897,-.3711;3.296,-.2815,-1.1068;3.2206,-.2259,.2907;2.1122,.0428,-1.9715;4.4988,-.6325,-1.7108;-2.989,2.8666,.0552;4.3482,-.5375,1.0437;1.9603,.1347,.9843;5.6216,-.9281,-.9512;5.5445,-.8845,.4321;-.1322,-.5311,-1.3384;-4.0544,3.0393,-1.0069;-2.5918,4.177,.6994;-1.6134,1.0435,-.7083;-1.0573,-1.5472,-1.032;-2.2556,-1.096,-.5565;1.1835,-.9624,1.5563;1.535,1.4073,1.0858;-3.3724,-2.0368,-.186;-.7885,-1.6036,2.676;1.6592,3.7104,.7248;1.7485,1.0521,-1.7922;2.383,-.0319,-3.0248;4.5563,-.6775,-2.7917;-3.3351,2.1732,.8234;4.2895,-.4988,2.1242;6.5486,-1.1985,-1.4395;6.4111,-1.1198,1.0359;-3.7275,3.7353,-1.7808;-4.9594,3.4434,-.5531;-4.3171,2.0935,-1.4802;-2.2283,4.8922,-.0401;-1.8183,4.0339,1.455;-3.4591,4.6164,1.1914;-.8097,-2.5907,-1.1553;.6113,1.665,1.5965;-1.0292,-2.4036,1.9769;-.2939,-2.027,3.5503;-1.7024,-1.1089,2.9901;1.4646,3.9382,1.7733;.7335,3.792,.1541;2.3842,4.4189,.3343; Epsilon 78.3550 Refrac 1.3328 Rsolv 1.3000 Surface type GAUSSIAN VDW Epsilon function type CPCM F O N C H 1.7300 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 3017 GEPOL Volume 2694.6687 GEPOL Surface-area 1525.1412 Calculating surface distance matrix done! ( 0.1s) Performing Cholesky decomposition & store done! ( 0.8s) Overall time for CPCM initialization 0.9s -1560.12951441 3237.95266055 -4798.08217496 -8580.21089981 3782.12872485 -0.04291151 -3114.13617352 1554.00665911 2.00394004 111.000235842740 111.000235842740 222.000471685481 -142.342150654043 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -675.6311 -675.5506 -675.5457 -524.8853 -524.7915 -524.6818 -524.5802 -523.0263 -392.6946 -392.6544 -286.7398 -283.4566 -283.3854 -283.0931 -281.8356 -281.8148 -281.2542 -281.2102 -280.8663 -280.8094 -280.1869 -280.1853 -280.0870 -279.8490 -279.7568 -279.7453 -279.7287 -279.7129 -279.1812 -279.1587 -39.4540 -36.9347 -36.8567 -33.5980 -33.4804 -33.1909 -32.9458 -31.0067 -30.2578 -28.0851 -27.0250 -25.6021 -25.4528 -24.6609 -24.4420 -23.5613 -23.3872 -23.1571 -22.3212 -21.9007 -21.8284 -21.3791 -21.0043 -20.0442 -19.6598 -19.4848 -19.4277 -19.3452 -18.9694 -18.8255 -18.2150 -17.8013 -17.5674 -17.4131 -17.0517 -16.8342 -16.7832 -16.4466 -16.1019 -15.9963 -15.9637 -15.8878 -15.8507 -15.7558 -15.7047 -15.3123 -15.1273 -14.9987 -14.9009 -14.8059 -14.5550 -14.4147 -14.2846 -14.1734 -13.9932 -13.7045 -13.6841 -13.5717 -13.3686 -13.1806 -13.1466 -13.0355 -12.8434 -12.6457 -12.5126 -12.4963 -12.3986 -12.1565 -11.9133 -11.8363 -11.7806 -11.6546 -11.4959 -11.1250 -10.6405 -10.5177 -10.2166 -9.4800 -9.4011 -9.1659 -8.8462 0.5748 1.1124 1.4449 1.5923 1.8423 3.1136 3.6793 3.8155 4.0856 4.1346 4.2675 4.3325 4.4039 4.4863 4.8009 4.8434 4.9710 5.0965 5.1424 5.2549 5.2954 5.3400 5.4627 5.5871 5.6569 5.7131 5.8403 5.9776 6.0672 6.0722 6.2726 6.2954 6.3751 6.5044 6.6250 6.6941 6.7954 6.9159 6.9995 7.1093 7.1616 7.2566 7.5145 7.6670 7.7965 7.8966 7.9275 8.1145 8.1680 8.3812 8.4755 8.5461 8.6052 8.7193 8.8932 8.9265 9.0505 9.1627 9.1834 9.2908 9.3798 9.4421 9.5481 9.7067 9.8813 9.9100 9.9481 10.0292 10.0786 10.3252 10.4703 10.6597 10.7147 10.7658 10.9692 10.9861 10.9933 11.0574 11.1745 11.4163 11.4275 11.5462 11.6826 11.7258 11.8232 12.0254 12.1497 12.2136 12.2308 12.4148 12.5348 12.5761 12.7402 12.8897 12.9625 12.9994 13.1544 13.2418 13.3378 13.4162 13.4773 13.5937 13.6694 13.8164 13.9782 13.9844 14.1465 14.1846 14.2693 14.4136 14.5044 14.5640 14.7163 14.8461 14.8841 14.9482 14.9993 15.1215 15.2028 15.2509 15.3390 15.4097 15.5391 15.5818 15.7200 15.8472 15.9496 16.0146 16.0321 16.2738 16.2965 16.3622 16.5116 16.6644 16.7607 16.7632 16.8799 17.0935 17.2462 17.3554 17.4151 17.5505 17.6349 17.8509 18.0343 18.1367 18.1916 18.2523 18.5174 18.7008 18.7225 19.0753 19.0900 19.2007 19.4076 19.5038 19.5127 19.6904 19.8333 19.9644 20.0632 20.1962 20.3257 20.3490 20.5278 20.6821 20.8690 20.9426 21.1699 21.3382 21.4431 21.5781 21.7006 21.7565 21.7948 21.9287 22.1250 22.1983 22.3582 22.4159 22.5047 22.8144 22.9446 23.0442 23.1472 23.2728 23.3419 23.4422 23.7215 23.8799 24.0487 24.2046 24.3208 24.3922 24.4936 24.6311 24.6948 24.7400 24.9492 25.0438 25.2553 25.3392 25.4220 25.5420 25.5798 25.7596 25.9061 26.0147 26.2009 26.2786 26.3416 26.4617 26.5821 26.6488 26.9289 26.9682 27.1520 27.1929 27.3650 27.4621 27.6183 27.7303 27.7646 27.9512 28.1070 28.1755 28.3425 28.4783 28.5954 28.6618 28.7266 28.9153 29.0339 29.1310 29.1771 29.2166 29.3242 29.5665 29.6739 29.7734 29.9970 30.2482 30.2922 30.4215 30.4956 30.6077 30.9339 31.0744 31.2087 31.2761 31.4225 31.5264 31.5773 31.9016 31.9927 32.1791 32.3386 32.4431 32.5271 32.5936 32.6973 32.8072 33.1430 33.1711 33.2516 33.5725 33.7313 33.7390 33.8364 34.0397 34.1356 34.2851 34.3906 34.6246 34.7133 34.9730 35.0283 35.1804 35.2888 35.4327 35.5994 35.6678 35.7988 35.9317 36.2392 36.3184 36.3775 36.5491 36.7476 36.8931 37.0117 37.1902 37.4693 37.6529 37.7292 37.8486 37.9697 38.1799 38.2052 38.3635 38.6303 38.7152 39.0085 39.0561 39.1997 39.3732 39.5599 39.6146 39.7226 39.8404 40.0599 40.1238 40.2294 40.4143 40.4703 40.7304 40.8401 41.0231 41.0890 41.2927 41.3996 41.4401 41.6233 41.7128 41.8266 41.8565 42.1049 42.2291 42.2935 42.3682 42.5042 42.7076 42.8737 42.9206 42.9689 43.2089 43.2582 43.3804 43.6396 43.8371 44.0072 44.0497 44.1417 44.4232 44.4709 44.6295 44.6890 44.9463 45.0137 45.1333 45.3708 45.5415 45.6666 45.8438 45.9372 46.0368 46.1678 46.4369 46.4637 46.6299 46.7906 47.1162 47.3140 47.4121 47.5804 47.6863 47.8263 48.0713 48.1784 48.1981 48.3563 48.5878 48.8157 49.0091 49.2606 49.3396 49.5494 49.6858 49.9458 50.0623 50.1081 50.3033 50.5393 50.9098 51.0571 51.1221 51.3464 51.6538 51.7615 52.0390 52.1706 52.2896 52.3852 52.6462 52.8403 53.1859 53.3609 53.6226 53.8183 54.0867 54.2478 54.4013 54.7192 54.8555 54.9093 55.1987 55.4902 55.6987 55.9895 56.0290 56.1927 56.5420 56.7885 56.9713 57.1048 57.2693 57.4145 57.5585 57.7481 57.9438 58.2333 58.3483 58.3879 58.5711 58.8269 59.0091 59.3145 59.5360 59.6359 59.8694 60.1783 60.3241 60.3619 60.4764 60.8572 61.0418 61.1085 61.2595 61.4803 61.8424 61.9480 62.1496 62.4330 62.6554 62.9080 62.9501 63.4500 63.5049 63.8994 63.9404 64.1295 64.4280 64.5876 64.9594 65.1639 65.2050 65.4506 65.7339 65.9212 66.1792 66.2751 66.3468 66.6591 66.8118 67.0644 67.1863 67.4163 67.5954 67.7969 68.0197 68.0613 68.1540 68.4435 68.5656 68.8090 69.1355 69.4346 69.5572 69.9422 70.0410 70.5427 70.5968 70.9194 70.9901 71.3390 71.5099 71.9483 72.1245 72.2368 72.4859 72.5276 72.6884 72.8343 73.0450 73.2103 73.3045 73.4368 73.8490 74.1226 74.4218 74.5779 74.7176 75.2243 75.3238 75.4811 75.6281 75.9463 76.0929 76.3332 76.6509 76.7242 76.8795 77.1020 77.2687 77.4280 77.5467 77.6955 77.9952 78.2390 78.3414 78.5138 78.6276 78.7421 78.9593 79.1277 79.2786 79.3871 79.5041 79.6500 79.6622 79.8217 79.9772 80.0253 80.1766 80.3474 80.4471 80.6667 80.7899 81.0223 81.0418 81.2632 81.3849 81.4135 81.6705 81.7399 81.7814 81.9009 81.9300 82.1293 82.2878 82.4647 82.5755 82.7776 82.8720 83.0321 83.2454 83.3683 83.4700 83.5630 83.5705 83.6894 83.7531 83.9098 83.9665 84.0423 84.2762 84.3612 84.4605 84.6059 84.6946 84.7345 84.8807 85.0111 85.1848 85.3434 85.4436 85.4959 85.5482 85.6619 85.8820 85.9863 86.0783 86.2070 86.3109 86.4082 86.7554 86.7907 86.9065 86.9852 87.0188 87.2208 87.3535 87.4605 87.6399 87.7998 87.9753 88.1277 88.2875 88.3949 88.4805 88.5865 88.7677 88.8361 88.9644 89.0898 89.1700 89.2097 89.3595 89.5036 89.6161 89.8089 89.9912 90.0577 90.0997 90.2332 90.3652 90.4612 90.5361 90.8414 90.8711 91.0675 91.2023 91.2982 91.4300 91.5551 91.6397 91.8331 91.9496 92.1354 92.3222 92.4444 92.4882 92.7378 92.7953 92.9012 93.0093 93.0973 93.2789 93.3062 93.4050 93.4916 93.7619 93.8793 93.9944 94.1646 94.2770 94.3467 94.3653 94.4934 94.6490 94.7173 94.9681 95.0689 95.1638 95.3121 95.3796 95.5128 95.7158 95.9013 95.9441 96.1118 96.2138 96.3424 96.5194 96.5845 96.6279 96.9553 97.0649 97.2236 97.2814 97.3815 97.5129 97.6785 97.7079 97.9046 98.0526 98.0744 98.3727 98.5172 98.6334 98.6866 98.8195 98.9891 99.0117 99.2864 99.4019 99.6005 99.8261 100.0458 100.1367 100.2848 100.4276 100.5848 100.8001 100.9604 101.1920 101.3204 101.4896 101.5650 101.7002 102.0341 102.1397 102.4069 102.6246 102.8682 102.9297 103.1058 103.1818 103.3571 103.5784 103.6747 103.7740 104.0384 104.1103 104.3322 104.4203 104.6817 104.8561 104.9973 105.4341 105.5471 105.6323 105.6815 105.8818 106.0192 106.1746 106.3267 106.4384 106.4656 106.6656 106.7535 106.9947 107.2159 107.2889 107.3810 107.5974 107.7320 107.8447 108.1487 108.3055 108.4291 108.4867 108.6700 108.8368 109.0527 109.2527 109.3432 109.4282 109.5080 109.6171 109.7428 110.1034 110.2828 110.4651 110.5577 110.6920 110.8305 110.9499 111.0041 111.0168 111.2919 111.4018 111.5189 111.5729 111.8948 112.1671 112.2666 112.3408 112.5218 112.7260 112.8602 112.9407 113.0603 113.3243 113.6714 113.7364 113.8761 113.9008 113.9737 114.2497 114.3953 114.4641 114.6671 114.7527 114.8751 115.0045 115.1429 115.1741 115.4071 115.5922 115.6609 115.9051 116.0193 116.1838 116.2834 116.5072 116.5595 116.6856 116.7112 116.9225 117.1732 117.2106 117.4324 117.5088 117.7210 117.9139 118.1088 118.4023 118.6250 118.6385 118.8002 118.9783 118.9974 119.3175 119.5051 119.5660 119.7194 119.7371 119.9959 120.2568 120.3975 120.6844 120.8996 120.9903 121.0900 121.5051 121.8280 121.9419 122.1687 122.5144 122.8790 123.1401 123.4493 123.8735 124.0480 124.1397 124.5096 124.5948 124.6620 125.1513 125.5256 125.6611 125.8523 126.2686 126.4130 126.6838 126.7864 126.8413 127.1841 127.4948 127.5707 127.7057 128.1824 128.3042 128.4233 128.6902 128.7685 128.8496 129.2081 129.3884 129.8036 129.9455 130.2281 130.4573 130.5626 130.9674 131.1650 131.6415 132.2268 132.3159 132.4944 132.6047 132.7732 132.8933 133.0487 133.3156 133.7240 133.7785 133.9606 134.2692 134.8929 135.1835 135.2577 135.5924 135.6397 135.9178 136.0244 136.3178 136.5200 136.5576 136.9178 137.1038 137.3816 137.4815 137.7696 138.1416 138.3359 138.4723 139.0994 139.4214 139.4250 139.7059 139.8539 140.0415 140.2137 140.4997 140.8342 141.2913 141.7408 141.7801 141.8977 142.1603 142.3075 142.3719 142.6486 142.8779 142.9801 143.2800 143.5156 143.9018 143.9593 144.2199 144.2824 144.5300 144.6745 144.8713 145.1494 145.3409 145.6631 145.8003 146.3850 146.7915 146.8771 147.0424 147.1242 147.2457 147.5812 147.5963 147.6720 148.0644 148.1827 148.2796 148.6597 148.7366 148.9059 149.2936 149.5298 149.6867 149.7795 149.8318 150.0707 150.2203 150.3728 150.4897 150.9438 151.2201 151.4628 151.7680 152.0204 152.3020 152.7187 152.8543 153.1604 153.8007 153.8887 154.1402 154.2031 154.3557 154.4708 154.6547 155.1173 155.2819 155.5310 155.6092 155.7381 156.0338 156.1242 156.8187 157.1921 157.5199 157.6206 157.9552 158.0302 158.2945 158.4326 158.8305 159.0075 159.4832 160.2357 161.3877 162.6268 163.1383 163.4892 163.6401 163.8191 164.5367 165.1835 165.3630 165.7822 166.6136 167.0134 167.7013 168.2261 168.4362 168.5746 168.6468 169.1898 170.0713 170.9578 172.1541 172.9418 173.3625 174.6176 176.6342 178.4902 178.8737 179.3638 181.2745 182.4827 182.7993 184.4930 185.5404 185.8116 186.1092 186.8500 187.0760 187.3062 187.7893 188.1921 188.3841 188.3933 188.5260 188.7668 188.8849 188.8971 189.0918 189.1716 189.3375 189.6579 190.1027 191.6120 192.2580 192.3573 192.5557 192.6171 193.4567 193.7123 194.2912 194.5612 194.6368 195.4853 195.6398 196.7476 198.9628 201.3240 201.4164 202.5829 202.9179 203.2130 204.6452 205.0714 206.2247 206.5334 206.8339 207.7060 208.1345 209.2905 210.2935 227.7540 228.5529 228.8356 232.5784 233.1629 235.5880 238.9081 240.9393 241.7125 244.4970 246.0118 247.1255 247.4747 250.2249 251.7645 617.5169 626.1993 628.5964 629.2460 632.3157 633.0305 635.4926 636.3244 636.9972 637.1963 639.6447 641.4962 643.0418 644.4027 645.0161 646.0150 646.1411 648.6141 648.8199 660.3761 887.8183 897.2796 1201.5944 1208.6671 1210.0388 1213.6241 1214.7533 1557.9368 1562.1925 1562.2817 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 F F F O O O O O N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H -0.176821 -0.173037 -0.173492 -0.292489 -0.311101 -0.296742 -0.292228 -0.511942 -0.374585 -0.397692 -0.149636 0.038736 0.029901 -0.091629 0.178033 -0.212537 -0.128607 -0.161880 -0.157972 0.438601 -0.274635 -0.270305 0.446697 -0.246373 0.073784 0.500634 0.231050 0.516457 -0.138299 -0.122223 0.131398 0.114829 0.146267 0.066463 0.144586 0.161727 0.159850 0.090938 0.100350 0.093429 0.092897 0.097864 0.102819 0.144087 0.122690 0.105005 0.135925 0.127492 0.123494 0.109574 0.128647 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 F F F O O O O O N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H 9.1768 9.1730 9.1735 8.2925 8.3111 8.2967 8.2922 8.5119 7.3746 7.3977 6.1496 5.9613 5.9701 6.0916 5.8220 6.2125 6.1286 6.1619 6.1580 5.5614 6.2746 6.2703 5.5533 6.2464 5.9262 5.4994 5.7689 5.4835 6.1383 6.1222 0.8686 0.8852 0.8537 0.9335 0.8554 0.8383 0.8401 0.9091 0.8997 0.9066 0.9071 0.9021 0.8972 0.8559 0.8773 0.8950 0.8641 0.8725 0.8765 0.8904 0.8714 9.0000 9.0000 9.0000 8.0000 8.0000 8.0000 8.0000 8.0000 7.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 -0.1768 -0.1730 -0.1735 -0.2925 -0.3111 -0.2967 -0.2922 -0.5119 -0.3746 -0.3977 -0.1496 0.0387 0.0299 -0.0916 0.1780 -0.2125 -0.1286 -0.1619 -0.1580 0.4386 -0.2746 -0.2703 0.4467 -0.2464 0.0738 0.5006 0.2311 0.5165 -0.1383 -0.1222 0.1314 0.1148 0.1463 0.0665 0.1446 0.1617 0.1599 0.0909 0.1003 0.0934 0.0929 0.0979 0.1028 0.1441 0.1227 0.1050 0.1359 0.1275 0.1235 0.1096 0.1286 1.1286 1.1273 1.1328 2.1374 2.1057 2.0804 2.1043 1.9899 2.9459 2.9708 3.8308 3.4642 3.8161 3.8724 3.7925 3.9883 3.4036 3.9042 3.9012 3.9744 3.9195 3.9124 4.2112 3.8943 3.9329 4.1170 3.9575 4.4774 3.8529 3.8474 1.0233 1.0059 1.0012 1.0263 1.0082 0.9891 0.9908 1.0066 1.0050 1.0159 1.0050 1.0062 1.0071 1.0218 1.0202 1.0010 0.9973 0.9960 0.9863 0.9963 0.9956 1.1286 1.1273 1.1328 2.1374 2.1057 2.0804 2.1043 1.9899 2.9459 2.9708 3.8308 3.4642 3.8161 3.8724 3.7925 3.9883 3.4036 3.9042 3.9012 3.9744 3.9195 3.9124 4.2112 3.8943 3.9329 4.1170 3.9575 4.4774 3.8529 3.8474 1.0233 1.0059 1.0012 1.0263 1.0082 0.9891 0.9908 1.0066 1.0050 1.0159 1.0050 1.0062 1.0071 1.0218 1.0202 1.0010 0.9973 0.9960 0.9863 0.9963 0.9956 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.1255 1.1336 1.1453 0.8749 1.1732 0.8508 1.2274 1.1717 0.8635 1.1842 0.8765 1.8516 1.4195 1.4079 1.4010 1.3786 1.2830 0.9724 1.4323 1.3817 0.8517 1.0142 0.9778 1.4165 0.9735 0.9593 0.9504 1.0006 1.4478 0.9892 1.0744 1.7047 1.4108 0.9827 0.9827 1.2313 0.9867 0.9860 0.9877 0.9883 0.9971 0.9868 1.4757 0.9801 1.0160 0.9870 0.9794 0.9797 0.9788 0.9815 0.9794 0.9828 0 27 1 27 2 27 3 12 3 19 4 14 4 22 5 25 5 28 6 26 6 29 7 25 8 19 8 22 9 22 9 24 10 11 10 12 10 13 11 15 11 16 12 30 12 31 13 17 13 32 14 20 14 21 14 33 15 18 15 34 16 25 16 26 17 18 17 35 18 36 19 23 20 37 20 38 20 39 21 40 21 41 21 42 23 24 23 43 24 27 26 44 28 45 28 46 28 47 29 48 29 49 29 50 -0.031230105 -1560.160744511899 14.00454 -14.22360 -0.21906 33.41635 -30.51153 2.90482 4.94531 -4.70360 0.24171 2.92308 7.42987