Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 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 S O O N N 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 1 2 2 3 3 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 5 308.2697999999998 AuxInfo=1/0/N:8,9,10,18,23,14,20,12,15,19,22,11,7,13,17,21,16,6,5,4,3,2,1/E:(1,2,3)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.2,23.1/rA:45nS1OONN2CC3CCCC3C3C3C3C3C3C3CC3C3C3C3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s6;s6;s7;s7;s2s11;s12;s13s14;s1s2s4;s4s5;s4;s17;s19;s3s5;s20s21;s3;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s12;s14;s15;s18;s18;s18;s19;s20;s22;s23;s23;s23;/rC:-2.2046,1.2809,1.6601;-.5138,.2699,-.0952;.1297,-5.373,.8592;-1.8411,-1.224,.8642;-.8155,-3.2935,.7923;2.9942,3.6342,-.471;1.5698,3.1851,-.7763;3.1662,3.7783,1.0465;3.3274,4.9777,-1.1197;3.9811,2.5868,-1.004;1.1123,1.9679,-.2675;.6893,3.9341,-1.5475;-.1672,1.5292,-.5325;-.6004,3.4844,-1.8038;-1.0436,2.2764,-1.3029;-1.5117,.0843,.7779;-1.2217,-2.2413,.0956;-2.7914,-1.6311,1.8879;-1.1138,-2.1671,-1.2823;-.5113,-3.2382,-1.9324;-.2667,-4.3086,.1631;-.0715,-4.3318,-1.2204;-.0698,-5.3619,2.2597;2.471,4.5139,1.453;2.9934,2.8384,1.5717;4.1803,4.1049,1.2859;2.6789,5.7786,-.761;4.353,5.2602,-.8776;3.2507,4.9384,-2.2076;5.0094,2.8922,-.8003;3.8338,1.6104,-.5418;3.876,2.4602,-2.0824;1.7549,1.3427,.3398;.9952,4.8829,-1.9643;-1.2669,4.0881,-2.4055;-2.0483,1.9268,-1.498;-3.7193,-1.0756,1.7706;-2.4027,-1.4371,2.8864;-2.9855,-2.6929,1.7825;-1.4867,-1.322,-1.8395;-.4011,-3.216,-3.0084;.394,-5.1817,-1.6982;.3209,-6.3094,2.6223;-1.1268,-5.2841,2.5211;.4619,-4.5404,2.7421; 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 1371 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 176 Dim 1032 ENuc 2043.4964470773 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVTRAH auto Auto Start mean grad. ratio tolernc. 1.125000 Auto Start start iteration 20 Auto Start num. interpolation iter. 10 iterations 16 iterations Maxiter - #DIIS iter Number of Davidson start vectors 2 Converg. threshold I (grad. norm) 1.000e-04 Converg. threshold II (energy diff.) 1.000e-07 Micro threshold 0.100 Minimum threshold for Micro iter. 0.010 NR start threshold (gradient norm) 0.001 Initial trust radius 0.400 Minimum AH scaling param. (alpha) 1.000 Maximum AH scaling param. (alpha) 1000.000 Orbital update algorithm Taylor David. guess on Maximum white noise 0.010 Quad. conv. algorithm NR CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package SHARK and LIBINT hybrid scheme DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 6.138e-06 Time for diagonalization 0.373 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.178 sec Total time needed 0.556 sec 16 8 8 7 7 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 1 308.2697999999998 AuxInfo=1/0/N:8,9,10,18,23,14,20,12,15,19,22,11,7,13,17,21,16,6,5,4,3,2,1/E:(1,2,3)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.2,23.1/rA:45nS1OONN2CC3CCCC3C3C3C3C3C3C3CC3C3C3C3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s6;s6;s7;s7;s2s11;s12;s13s14;s1s2s4;s4s5;s4;s17;s19;s3s5;s20s21;s3;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s12;s14;s15;s18;s18;s18;s19;s20;s22;s23;s23;s23;/rC:-2.2046,1.2809,1.6601;-.5138,.2699,-.0952;.1297,-5.373,.8592;-1.8411,-1.224,.8642;-.8155,-3.2935,.7923;2.9942,3.6342,-.471;1.5698,3.1851,-.7763;3.1662,3.7783,1.0465;3.3274,4.9777,-1.1197;3.9811,2.5868,-1.004;1.1123,1.9679,-.2675;.6893,3.9341,-1.5475;-.1672,1.5292,-.5325;-.6004,3.4844,-1.8038;-1.0436,2.2764,-1.3029;-1.5117,.0843,.7779;-1.2217,-2.2413,.0956;-2.7914,-1.6311,1.8879;-1.1138,-2.1672,-1.2823;-.5113,-3.2382,-1.9324;-.2667,-4.3086,.1631;-.0715,-4.3318,-1.2204;-.0698,-5.3619,2.2597;2.471,4.5139,1.453;2.9934,2.8384,1.5717;4.1803,4.1049,1.2859;2.6789,5.7786,-.761;4.353,5.2602,-.8776;3.2507,4.9384,-2.2076;5.0094,2.8922,-.8003;3.8338,1.6104,-.5418;3.876,2.4602,-2.0824;1.7549,1.3427,.3398;.9952,4.8829,-1.9643;-1.2669,4.0881,-2.4055;-2.0483,1.9268,-1.498;-3.7193,-1.0756,1.7706;-2.4027,-1.4371,2.8864;-2.9855,-2.6929,1.7825;-1.4867,-1.322,-1.8395;-.4011,-3.216,-3.0084;.394,-5.1817,-1.6982;.3209,-6.3094,2.6223;-1.1268,-5.2841,2.5211;.4619,-4.5404,2.7421; 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 4 308.2697999999998 AuxInfo=1/0/N:8,9,10,18,23,14,20,12,15,19,22,11,7,13,17,21,16,6,5,4,3,2,1/E:(1,2,3)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,19.2,23.1/rA:45nS1OONN2CC3CCCC3C3C3C3C3C3C3CC3C3C3C3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s6;s6;s6;s6;s7;s7;s2s11;s12;s13s14;s1s2s4;s4s5;s4;s17;s19;s3s5;s20s21;s3;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s12;s14;s15;s18;s18;s18;s19;s20;s22;s23;s23;s23;/rC:-2.2046,1.2809,1.6601;-.5138,.2699,-.0952;.1297,-5.373,.8592;-1.8411,-1.224,.8642;-.8155,-3.2935,.7923;2.9942,3.6342,-.471;1.5698,3.1851,-.7763;3.1662,3.7783,1.0465;3.3274,4.9777,-1.1197;3.9811,2.5868,-1.004;1.1123,1.9679,-.2675;.6893,3.9341,-1.5475;-.1672,1.5292,-.5325;-.6004,3.4844,-1.8038;-1.0436,2.2764,-1.3029;-1.5117,.0843,.7779;-1.2217,-2.2413,.0956;-2.7914,-1.6311,1.8879;-1.1138,-2.1671,-1.2823;-.5113,-3.2382,-1.9324;-.2667,-4.3086,.1631;-.0715,-4.3318,-1.2204;-.0698,-5.3619,2.2597;2.471,4.5139,1.453;2.9934,2.8384,1.5717;4.1803,4.1049,1.2859;2.6789,5.7786,-.761;4.353,5.2602,-.8776;3.2507,4.9384,-2.2076;5.0094,2.8922,-.8003;3.8338,1.6104,-.5418;3.876,2.4602,-2.0824;1.7549,1.3427,.3398;.9952,4.8829,-1.9643;-1.2669,4.0881,-2.4055;-2.0483,1.9268,-1.498;-3.7193,-1.0756,1.7706;-2.4027,-1.4371,2.8864;-2.9855,-2.6929,1.7825;-1.4867,-1.322,-1.8395;-.4011,-3.216,-3.0084;.394,-5.1817,-1.6982;.3209,-6.3094,2.6223;-1.1268,-5.2841,2.5211;.4619,-4.5404,2.7421; -1357.39649818 2043.49644708 -3400.89294525 -5914.00163982 2513.10869456 -2709.93576999 1352.53927181 2.00359119 88.000014638558 88.000014638558 176.000029277117 -113.291582206054 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2418.8912 -524.9974 -524.5185 -393.9584 -392.5497 -283.5924 -282.4912 -282.1204 -281.4682 -281.0616 -280.4659 -280.4204 -280.1872 -279.9909 -279.9883 -279.9749 -279.7752 -279.7213 -279.6798 -279.5891 -279.2957 -279.2894 -279.2505 -217.4786 -161.7888 -161.6868 -161.5707 -33.6809 -33.0223 -30.3927 -28.8107 -26.9100 -25.6300 -25.4798 -24.6874 -24.1162 -23.4020 -23.2467 -22.7782 -22.1007 -21.8408 -21.8149 -20.9753 -20.2444 -19.9695 -19.8776 -18.8143 -18.5306 -17.3833 -17.2041 -16.8615 -16.7098 -16.4134 -16.2615 -16.0751 -15.7955 -15.4276 -15.3179 -15.0281 -14.8334 -14.7819 -14.4945 -14.1915 -14.1611 -13.8717 -13.7718 -13.5995 -13.4990 -13.4485 -13.0461 -12.8779 -12.8113 -12.5806 -12.5202 -12.4011 -12.1502 -11.9898 -11.6086 -11.4873 -11.2245 -10.8728 -10.4765 -10.3889 -9.3726 -9.1862 -8.7995 -8.4095 -8.1787 0.7616 1.5697 1.6688 1.8881 2.3205 2.9925 3.2181 3.5608 3.8861 4.0318 4.1470 4.3067 4.3606 4.4806 4.5564 4.6118 4.7473 4.8878 4.9670 5.0510 5.2040 5.2979 5.4659 5.5146 5.6635 5.7969 6.0072 6.0572 6.1260 6.1914 6.2857 6.4630 6.5453 6.6419 6.8046 6.8251 6.8930 7.0914 7.1379 7.3111 7.4307 7.4466 7.5948 7.7341 7.8844 7.9174 8.1233 8.2827 8.3888 8.5299 8.5981 8.7997 8.8616 8.9304 9.0704 9.1184 9.1707 9.4876 9.7174 9.7566 9.8730 10.0614 10.1136 10.1910 10.5272 10.6105 10.6951 10.8011 10.8552 11.0090 11.1089 11.2339 11.3604 11.4572 11.6005 11.6897 11.7222 11.8260 11.8773 12.0804 12.2037 12.2324 12.2979 12.4306 12.6211 12.6615 12.7393 12.9094 12.9815 13.1289 13.1832 13.4168 13.5781 13.6158 13.6925 13.8235 13.8781 13.9791 14.1596 14.2293 14.3188 14.3359 14.4430 14.5089 14.5661 14.6165 14.6954 14.7181 14.7339 14.8790 14.9214 14.9653 15.0618 15.3797 15.4083 15.4335 15.5488 15.7032 15.7397 15.8796 16.0222 16.2854 16.4281 16.5380 16.6784 16.8267 17.0027 17.0875 17.1810 17.3023 17.5203 17.7290 17.7809 17.9914 18.0885 18.3979 18.4258 18.4651 18.6619 18.8988 18.9750 19.2243 19.3095 19.6341 19.8085 19.9217 20.0194 20.1527 20.1817 20.3705 20.5367 20.5869 20.7729 20.9769 21.2039 21.3250 21.3603 21.5698 21.7078 21.7232 21.8582 22.0507 22.1922 22.3622 22.6101 22.6656 22.9413 23.2077 23.3790 23.4519 23.5824 23.8214 23.8943 24.0545 24.2480 24.3339 24.5560 24.6665 24.7132 24.8619 25.0731 25.1381 25.3108 25.3426 25.5987 25.6644 25.7302 25.9874 26.1020 26.2434 26.4395 26.5077 26.9126 27.0971 27.1594 27.3125 27.4615 27.5634 27.7396 27.8820 27.9488 28.2112 28.2876 28.4497 28.5916 28.6648 28.8402 28.9205 29.1550 29.3028 29.4717 29.6366 29.9042 29.9658 30.0427 30.2369 30.3986 30.5462 30.6877 30.9390 31.0381 31.2456 31.3128 31.4227 31.4804 31.6481 31.8027 31.9218 32.1988 32.2281 32.3214 32.4069 32.6291 32.7123 32.8535 33.1152 33.2344 33.3957 33.5234 33.7104 33.7865 34.0824 34.1427 34.3822 34.4645 34.6358 34.9348 35.1558 35.1818 35.2972 35.4299 35.6168 35.8592 36.0488 36.3988 36.4353 36.6842 36.8167 37.1380 37.2728 37.4387 37.4612 37.5777 37.8459 37.9585 38.0965 38.2899 38.3427 38.4655 38.5104 38.6443 38.7660 38.8749 39.0593 39.2194 39.5019 39.5873 39.7569 40.0163 40.0413 40.2095 40.3781 40.7290 40.7938 40.9941 41.0186 41.1531 41.4826 41.5657 41.7960 41.9240 42.0474 42.1921 42.4188 42.6717 42.8194 42.9340 43.0960 43.2778 43.2880 43.3521 43.4359 43.6340 43.7552 43.9840 44.1115 44.1669 44.2288 44.3416 44.3929 44.5596 44.7174 44.7910 44.9126 45.0808 45.4534 45.7433 45.7866 45.8735 46.1178 46.2274 46.2455 46.6262 46.7201 46.8362 46.9853 47.0380 47.1867 47.2847 47.5705 47.7287 47.8172 47.9548 48.2078 48.3186 48.4279 48.5624 48.6608 48.7368 49.0049 49.0554 49.3450 49.6019 49.8800 50.1290 50.3743 50.5499 50.5704 50.6497 50.7820 50.8852 51.0464 51.3477 51.5288 51.8853 52.1533 52.3716 52.6109 52.7218 52.9158 53.0896 53.2480 53.5145 53.7119 54.0001 54.4127 54.5878 54.7306 55.0682 55.2382 55.5147 55.7584 55.7878 56.0635 56.4451 56.6636 56.9355 56.9572 57.2827 57.4437 57.6694 57.9948 58.4018 58.5294 59.0358 59.3397 59.6668 59.8384 60.2030 60.5788 60.6627 60.7792 60.9787 61.1688 61.5102 61.6667 61.8286 62.4492 62.6338 62.7994 63.0503 63.3828 63.6832 63.8784 64.0775 64.3997 64.6806 64.8357 65.4061 65.5712 66.0446 66.1198 66.3906 66.5331 67.0614 67.2169 67.7028 67.8961 68.1438 68.2171 68.5608 68.6487 69.0308 69.1987 69.4328 69.5844 70.2643 70.6434 70.7306 71.0125 71.2317 71.9151 72.1031 72.2590 72.4233 72.6122 72.6828 73.0203 73.1935 73.4934 73.7083 73.9112 74.3741 74.5767 74.7311 74.9789 75.1902 75.3968 75.6805 76.0304 76.1741 76.3348 76.5212 76.6327 76.8284 77.2464 77.3425 77.4361 77.5381 77.6717 77.9820 78.1470 78.2726 78.3770 78.5501 78.6960 78.7670 78.8230 79.2265 79.3401 79.4995 79.5330 79.9045 79.9839 80.1271 80.1867 80.3909 80.6012 80.7320 80.7766 80.9906 81.2002 81.3477 81.5776 81.6605 81.7658 82.0487 82.1623 82.2812 82.5446 82.6960 82.8491 83.0219 83.1138 83.3157 83.3250 83.4934 83.8054 83.9091 84.1416 84.2391 84.3352 84.6184 84.6620 84.8861 85.0100 85.0324 85.1842 85.2769 85.3810 85.5393 85.6238 85.9335 86.0355 86.0954 86.1559 86.2616 86.3294 86.6709 86.6868 86.9253 87.0064 87.1475 87.3316 87.5063 87.6913 87.8275 87.8865 87.9963 88.1592 88.2988 88.5407 88.6999 88.9364 89.0691 89.2395 89.4026 89.6269 89.8671 89.9073 90.0006 90.1828 90.2205 90.4474 90.6420 90.6536 90.6807 90.9899 91.1548 91.2559 91.5491 91.7163 91.9456 92.0682 92.3490 92.5014 92.5917 92.7057 92.8229 92.9819 93.0139 93.2375 93.3328 93.4239 93.6185 93.7548 93.9593 94.0147 94.1598 94.2422 94.3632 94.4447 94.6951 94.8380 94.9717 95.0052 95.2042 95.2852 95.3610 95.4955 95.5835 95.6337 95.8635 96.0470 96.1021 96.3136 96.4680 96.5907 96.8029 96.8735 97.1000 97.1595 97.2485 97.4663 97.7231 97.7777 97.9524 98.1649 98.2254 98.4779 98.6571 98.7689 98.9245 99.0303 99.1003 99.3171 99.7107 99.8272 99.9577 100.0440 100.2923 100.4876 100.6598 100.8784 100.8986 101.1382 101.7942 101.8827 102.0896 102.3406 102.4575 102.8226 103.1057 103.1807 103.3534 103.3830 103.5983 103.7653 103.8545 103.9301 104.2199 104.3508 104.8034 104.8740 105.1049 105.3557 105.4131 105.6020 105.7308 105.8335 106.0088 106.0697 106.2558 106.4842 106.5063 106.6222 106.8848 107.0963 107.2728 107.5151 107.6181 107.7986 107.9180 108.1953 108.3926 108.5601 108.8015 108.9540 109.1606 109.3021 109.5184 109.6509 109.8276 109.9702 110.0849 110.4682 110.8502 110.9152 110.9574 111.0932 111.4670 111.5532 111.9440 112.0725 112.1971 112.3395 112.5618 112.8879 113.3549 113.4929 113.7111 113.8356 113.8712 114.1016 114.1503 114.6439 114.9666 115.1406 115.2551 115.3116 115.4399 115.5401 115.5667 115.6962 115.8010 116.0492 116.1593 116.2107 116.2936 116.4852 116.7085 116.8545 116.8984 117.0633 117.2195 117.2907 117.4435 117.5298 117.6960 117.9449 117.9987 118.2584 118.4250 118.6407 118.7642 118.9297 119.0825 119.3170 119.3754 119.6265 119.8159 119.9353 120.2224 120.2633 120.4515 120.7698 120.7876 120.8685 121.1870 121.5826 121.8840 122.0395 122.2461 122.3004 122.8399 123.1823 123.3590 123.4697 123.6782 123.8847 124.2374 124.6302 124.6811 124.7202 124.9699 125.2938 125.4338 125.7015 126.2204 126.5710 126.6211 127.3703 127.5772 127.6154 128.0390 128.7257 128.8599 129.0575 129.0776 129.2758 129.5825 129.6437 129.7520 130.0731 130.2735 130.4859 130.7913 130.9321 131.0515 131.2624 131.4722 131.5820 132.0163 132.3849 132.7633 133.1400 133.2864 133.6904 133.8551 133.8958 133.9685 134.3329 134.5511 134.8166 135.0377 135.3322 135.7236 135.9853 136.1149 136.5116 136.6390 136.7719 137.2687 137.3482 137.7501 138.1559 138.7642 139.2674 139.5292 139.7423 139.9906 140.4863 140.6002 141.0840 141.2704 141.6998 141.8000 142.1983 142.2988 142.4217 142.5959 142.6840 143.1707 143.2604 143.7459 143.8687 144.3732 144.5572 144.8162 144.9324 145.1527 145.2390 145.3487 145.6155 145.7371 145.8651 146.0009 146.1591 146.2463 146.4677 147.1174 147.2157 147.3893 147.5227 147.8815 148.1094 148.4507 148.6863 148.7494 148.9555 148.9942 149.2339 149.3743 149.6709 150.0043 150.1629 150.2161 150.3336 150.7658 151.2347 151.4513 151.7615 151.7727 152.2376 152.7435 152.8649 153.1805 153.8846 153.9785 154.0434 154.5559 154.8621 154.9532 155.2458 155.2851 155.3976 155.9963 156.0917 156.4910 157.4876 158.0812 158.3200 158.4800 158.8707 159.0241 159.1150 159.4337 160.0555 160.2340 160.6760 161.0849 161.2217 161.9198 162.7809 163.3473 163.8794 164.0004 165.6794 166.6354 167.3177 168.1550 168.3578 168.9495 169.7428 170.3343 170.7145 172.2662 177.6642 179.0485 180.2731 181.6359 184.7399 185.3218 187.4800 188.1245 188.4020 188.8016 189.1195 190.2980 191.4047 192.1148 193.6836 195.6112 198.2001 200.8334 201.3551 205.3290 206.3253 246.0372 251.2535 261.3012 558.8034 620.2140 624.9426 626.9272 627.5428 632.8705 633.0868 634.2324 634.7403 637.0673 637.8011 638.8512 645.6096 645.9750 647.5113 648.4320 649.0074 651.8111 657.5389 893.1297 904.6610 1208.7117 1214.8827 -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 S O O N N 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 -0.333658 -0.284656 -0.276168 -0.062202 -0.381870 0.252051 -0.013730 -0.288302 -0.334489 -0.291408 -0.146599 -0.157047 0.172151 -0.115234 -0.131201 0.245261 0.226058 -0.158432 -0.192486 -0.069679 0.358435 -0.199156 -0.115950 0.102652 0.088902 0.085930 0.096162 0.090102 0.094858 0.087036 0.087899 0.098735 0.097958 0.116720 0.120569 0.115080 0.113618 0.116510 0.091006 0.119133 0.128557 0.126069 0.119508 0.097038 0.104272 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 S O O N N 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 16.3337 8.2847 8.2762 7.0622 7.3819 5.7479 6.0137 6.2883 6.3345 6.2914 6.1466 6.1570 5.8278 6.1152 6.1312 5.7547 5.7739 6.1584 6.1925 6.0697 5.6416 6.1992 6.1160 0.8973 0.9111 0.9141 0.9038 0.9099 0.9051 0.9130 0.9121 0.9013 0.9020 0.8833 0.8794 0.8849 0.8864 0.8835 0.9090 0.8809 0.8714 0.8739 0.8805 0.9030 0.8957 16.0000 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 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 -0.3337 -0.2847 -0.2762 -0.0622 -0.3819 0.2521 -0.0137 -0.2883 -0.3345 -0.2914 -0.1466 -0.1570 0.1722 -0.1152 -0.1312 0.2453 0.2261 -0.1584 -0.1925 -0.0697 0.3584 -0.1992 -0.1160 0.1027 0.0889 0.0859 0.0962 0.0901 0.0949 0.0870 0.0879 0.0987 0.0980 0.1167 0.1206 0.1151 0.1136 0.1165 0.0910 0.1191 0.1286 0.1261 0.1195 0.0970 0.1043 2.0829 2.0852 2.1224 3.2224 2.9811 3.7535 3.7167 3.9261 3.9280 3.9223 4.1704 3.9496 3.8913 4.0164 4.0463 4.2526 4.0156 3.8863 3.9604 3.9524 4.0413 3.9403 3.8877 1.0068 1.0071 1.0052 1.0027 1.0122 1.0027 1.0065 1.0077 1.0064 1.0266 1.0078 1.0036 1.0135 1.0084 1.0022 1.0124 1.0135 0.9992 1.0119 0.9941 0.9963 0.9983 2.0829 2.0852 2.1224 3.2224 2.9811 3.7535 3.7167 3.9261 3.9280 3.9223 4.1704 3.9496 3.8913 4.0164 4.0463 4.2526 4.0156 3.8863 3.9604 3.9524 4.0413 3.9403 3.8877 1.0068 1.0071 1.0052 1.0027 1.0122 1.0027 1.0065 1.0077 1.0064 1.0266 1.0078 1.0036 1.0135 1.0084 1.0022 1.0124 1.0135 0.9992 1.0119 0.9941 0.9963 0.9983 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 1.8568 0.8201 1.0836 1.1737 0.9038 1.2578 1.0200 0.9194 1.4297 1.4068 0.9167 0.9508 0.9087 0.9442 1.3728 1.3697 0.9874 0.9840 0.9888 0.9990 0.9952 0.9991 0.9889 0.9850 0.9890 1.5587 0.9363 1.4624 0.9569 1.3962 1.4645 0.9712 0.9587 1.4436 0.9763 0.9774 0.9815 1.3889 0.9702 1.4742 0.9749 1.3391 0.9778 0.9860 0.9791 0.9779 0 15 1 12 1 15 2 20 2 22 3 15 3 16 3 17 4 16 4 20 5 6 5 7 5 8 5 9 6 10 6 11 7 23 7 24 7 25 8 26 8 27 8 28 9 29 9 30 9 31 10 12 10 32 11 13 11 33 12 14 13 14 13 34 14 35 16 18 17 36 17 37 17 38 18 19 18 39 19 21 19 40 20 21 21 41 22 42 22 43 22 44 -0.021099709 -1357.417597883838 20.06028 -19.57566 0.48462 13.86316 -14.69424 -0.83107 -0.91168 0.22641 -0.68527 1.18115 3.00226