Orca 4.2.1 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 F F F O O N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H 1 1 1 2 2 3 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 5 307.1826095999998 AuxInfo=1/0/N:14,15,22,23,20,16,17,18,19,12,7,9,10,8,11,13,21,1,2,3,6,5,4/E:(1,2)(18,19,20)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.3,15.3,16.3,22.1/rA:39nFFFOO1NCC3C3C3C3C3C3CCC3C3C3C3C3CC3C3HHHHHHHHHHHHHHHH/rB:;;;;;s4;;s6;s4;s8;s9s10;s5s6s8;s7;s7;s9;s10;s8;s11;s16s17;s1s2s3s11;s18;s19s22;s7;s12;s6;s14;s14;s14;s15;s15;s15;s16;s17;s18;s19;s20;s22;s23;/rC:-3.7015,-1.781,-1.3427;-2.126,-2.0003,.1132;-4.1775,-2.266,.6927;4.4521,.6099,1.0866;-1.3077,.0127,-1.9987;-.0602,.5401,-.1551;5.8382,.3252,.9518;-2.4291,.8117,-.0673;1.2575,.2894,-.557;3.5909,.316,.0946;-3.4604,-.0708,.257;2.2481,.5314,.3877;-1.2172,.3907,-.8565;6.5488,1.1706,1.9911;6.1129,-1.1584,1.144;1.6057,-.1784,-1.8246;3.9452,-.1555,-1.1667;-2.5491,2.1532,.2743;-4.591,.4036,.9075;2.9447,-.3899,-2.0983;-3.3644,-1.5344,-.0795;-3.6841,2.6238,.9158;-4.7068,1.7467,1.2309;6.1858,.6397,-.0401;1.9924,.898,1.3757;-.1667,.8079,.8099;7.6257,1.0161,1.9269;6.3511,2.2312,1.839;6.2301,.9031,2.9993;5.5781,-1.7766,.4232;5.8158,-1.4762,2.1442;7.178,-1.3624,1.0289;.8581,-.377,-2.5731;4.9733,-.3427,-1.4405;-1.7548,2.8419,.0145;-5.3907,-.273,1.1732;3.2219,-.7563,-3.078;-3.7675,3.6731,1.1648;-5.5962,2.102,1.7329; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on Number of auxiliary basis functions 1303 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 168 Dim 937 ENuc 1891.1333280764 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package LIBINT DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 5.785e-06 Time for diagonalization 0.340 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.226 sec Total time needed 0.569 sec 9 9 9 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 307.1826095999998 AuxInfo=1/0/N:14,15,22,23,20,16,17,18,19,12,7,9,10,8,11,13,21,1,2,3,6,5,4/E:(1,2)(18,19,20)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.3,15.3,16.3,22.1/rA:39nFFFOO1NCC3C3C3C3C3C3CCC3C3C3C3C3CC3C3HHHHHHHHHHHHHHHH/rB:;;;;;s4;;s6;s4;s8;s9s10;s5s6s8;s7;s7;s9;s10;s8;s11;s16s17;s1s2s3s11;s18;s19s22;s7;s12;s6;s14;s14;s14;s15;s15;s15;s16;s17;s18;s19;s20;s22;s23;/rC:-3.7015,-1.781,-1.3427;-2.126,-2.0003,.1132;-4.1775,-2.266,.6927;4.4521,.6099,1.0866;-1.3077,.0127,-1.9987;-.0602,.5401,-.1551;5.8382,.3252,.9518;-2.4291,.8117,-.0673;1.2575,.2894,-.557;3.5909,.316,.0946;-3.4604,-.0708,.257;2.2481,.5314,.3877;-1.2172,.3907,-.8565;6.5488,1.1706,1.9911;6.1129,-1.1584,1.144;1.6057,-.1784,-1.8246;3.9452,-.1555,-1.1667;-2.5491,2.1532,.2743;-4.591,.4036,.9075;2.9447,-.3899,-2.0983;-3.3644,-1.5344,-.0795;-3.6841,2.6238,.9158;-4.7068,1.7467,1.2309;6.1858,.6397,-.0401;1.9924,.898,1.3757;-.1667,.8079,.8099;7.6257,1.0161,1.9269;6.3511,2.2312,1.839;6.2301,.9031,2.9993;5.5781,-1.7766,.4232;5.8158,-1.4762,2.1442;7.178,-1.3624,1.0289;.8581,-.377,-2.5731;4.9733,-.3427,-1.4405;-1.7548,2.8419,.0145;-5.3907,-.273,1.1732;3.2219,-.7563,-3.078;-3.7675,3.6731,1.1648;-5.5962,2.102,1.7329; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 307.1826095999998 AuxInfo=1/0/N:14,15,22,23,20,16,17,18,19,12,7,9,10,8,11,13,21,1,2,3,6,5,4/E:(1,2)(18,19,20)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.3,14.3,15.3,16.3,22.1/rA:39nFFFOO1NCC3C3C3C3C3C3CCC3C3C3C3C3CC3C3HHHHHHHHHHHHHHHH/rB:;;;;;s4;;s6;s4;s8;s9s10;s5s6s8;s7;s7;s9;s10;s8;s11;s16s17;s1s2s3s11;s18;s19s22;s7;s12;s6;s14;s14;s14;s15;s15;s15;s16;s17;s18;s19;s20;s22;s23;/rC:-3.7015,-1.781,-1.3427;-2.126,-2.0003,.1132;-4.1775,-2.266,.6927;4.4521,.6099,1.0866;-1.3077,.0127,-1.9987;-.0602,.5401,-.1551;5.8382,.3252,.9518;-2.4291,.8117,-.0673;1.2575,.2894,-.557;3.5909,.316,.0946;-3.4604,-.0708,.257;2.2481,.5314,.3877;-1.2172,.3907,-.8565;6.5488,1.1706,1.9911;6.1129,-1.1584,1.144;1.6057,-.1784,-1.8246;3.9452,-.1555,-1.1667;-2.5491,2.1532,.2743;-4.591,.4036,.9075;2.9447,-.3899,-2.0983;-3.3644,-1.5344,-.0795;-3.6841,2.6238,.9158;-4.7068,1.7467,1.2309;6.1858,.6397,-.0401;1.9924,.898,1.3757;-.1667,.8079,.8099;7.6257,1.0161,1.9269;6.3511,2.2312,1.839;6.2301,.9031,2.9993;5.5781,-1.7766,.4232;5.8158,-1.4762,2.1442;7.178,-1.3624,1.0289;.8581,-.377,-2.5731;4.9733,-.3427,-1.4405;-1.7548,2.8419,.0145;-5.3907,-.273,1.1732;3.2219,-.7563,-3.078;-3.7675,3.6731,1.1648;-5.5962,2.102,1.7329; -1162.33143126 1891.13332808 -3053.46475934 -5348.01928749 2294.55452815 -2320.09594563 1157.76451437 2.00394460 84.000001756089 84.000001756089 168.000003512178 -106.859201462228 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -675.2601 -675.2399 -675.0954 -524.1667 -522.7301 -393.7316 -286.5088 -282.9078 -281.4843 -281.4442 -281.1572 -280.8797 -280.8090 -280.5053 -280.4902 -280.4486 -280.3896 -279.7713 -279.6280 -279.5482 -279.5019 -279.4922 -279.3549 -39.0896 -36.5729 -36.4911 -32.4366 -31.9997 -29.2334 -27.6079 -26.5063 -25.0534 -24.9911 -24.6542 -23.6341 -23.1889 -22.4235 -22.1540 -21.2198 -20.4907 -20.4287 -19.9468 -19.6807 -19.0418 -18.9460 -18.7408 -18.2888 -17.7910 -17.4162 -16.4099 -16.3088 -16.2445 -15.9222 -15.7738 -15.6694 -15.5331 -15.4724 -15.2314 -14.7126 -14.6746 -14.6356 -14.4940 -14.3314 -14.1357 -13.9634 -13.8843 -13.6839 -13.5835 -13.5079 -13.3556 -13.0514 -12.9407 -12.7375 -12.6175 -12.4381 -12.3049 -11.7337 -11.3686 -10.8770 -10.2686 -10.0901 -9.6437 -8.7066 -8.2708 0.6378 0.9441 1.6059 2.0274 2.9756 3.1496 3.3761 3.4796 3.8341 4.1812 4.2874 4.4466 4.6200 4.7486 4.8805 4.9038 5.0237 5.2465 5.3742 5.5315 5.7364 5.8773 6.0280 6.2114 6.3085 6.3903 6.4301 6.5546 6.6954 6.8671 6.9951 7.2357 7.2776 7.3896 7.5558 7.6517 7.7461 7.9365 8.0694 8.2117 8.3295 8.4132 8.5000 8.7293 8.8368 8.8394 9.0214 9.0533 9.3001 9.5186 9.5932 9.7754 9.9527 10.1475 10.2194 10.4245 10.5365 10.6035 10.6758 10.6969 10.8800 10.9748 11.0118 11.2268 11.3504 11.5050 11.6314 11.7805 11.8836 11.9484 12.0993 12.2584 12.4009 12.4747 12.5901 12.6359 12.7755 13.0413 13.1121 13.1786 13.2304 13.5910 13.6168 13.6940 13.7258 14.0508 14.1294 14.1935 14.3370 14.4590 14.4669 14.6097 14.6370 14.7304 14.9086 14.9700 15.1506 15.2517 15.3570 15.4875 15.5375 15.7100 15.7852 16.0487 16.1953 16.2512 16.5295 16.7027 16.8988 17.0361 17.2889 17.5007 17.6960 17.8553 17.9610 18.2623 18.3802 18.5075 18.6562 18.8570 19.0447 19.1398 19.3025 19.6277 19.6352 19.8652 19.9209 19.9845 20.2891 20.3817 20.5159 20.6568 20.7248 20.8664 21.1672 21.2646 21.4055 21.6284 21.9003 21.9540 22.0655 22.1772 22.4378 22.4967 22.5907 22.8868 22.9262 23.2260 23.4853 23.5799 23.7619 23.9248 24.1580 24.2296 24.2583 24.4510 24.5769 24.6006 24.8333 24.9806 25.0713 25.3095 25.4114 25.5713 25.8628 26.1033 26.1904 26.3528 26.4594 26.5652 26.7701 26.9880 27.1671 27.2215 27.5009 27.7530 27.9461 28.0243 28.1162 28.2322 28.3031 28.3424 28.4537 28.7286 28.7749 29.1117 29.3564 29.4469 29.5308 29.7383 29.7739 29.9650 30.2492 30.4486 30.5235 30.8067 30.8672 31.0461 31.2377 31.3660 31.6401 31.8086 32.1740 32.2581 32.3564 32.6817 32.7824 32.9427 33.1741 33.3100 33.5795 33.7541 33.9195 34.2706 34.3120 34.5406 34.7287 34.8155 35.0197 35.1089 35.3410 35.4787 35.5719 35.8443 35.9353 35.9871 36.4480 36.6694 36.8015 37.1816 37.2134 37.4218 37.6576 37.8007 38.0577 38.1825 38.2666 38.5619 38.6162 38.6827 38.9488 39.1542 39.2232 39.3624 39.6787 39.8026 40.1100 40.2393 40.3478 40.5345 40.6773 40.7377 40.8625 41.0400 41.0963 41.3757 41.5606 41.7234 42.0039 42.0748 42.2608 42.5172 42.5511 42.7839 42.8682 43.1816 43.3665 43.5057 43.6766 43.8028 44.2611 44.4164 44.5253 44.6563 44.7256 44.9140 45.3239 45.4387 45.6488 45.7381 45.9258 46.0410 46.3189 46.7122 46.8671 46.9779 47.3013 47.4163 47.5278 47.6540 47.8746 48.0693 48.2531 48.3371 48.5652 48.6603 49.0171 49.2217 49.3955 49.6568 49.8725 50.0490 50.2641 50.4765 50.7235 51.3775 51.6367 52.1645 52.2481 52.8376 53.5209 53.7077 53.9455 54.1938 54.4913 54.6207 54.6777 55.2617 55.7003 55.7536 55.9094 56.2068 56.5599 56.6981 57.0768 57.2826 57.5931 57.7898 57.9758 58.1059 58.2561 58.8714 59.0308 59.2755 59.4077 59.4960 60.0405 60.2731 60.7319 60.8949 60.9577 61.1212 61.4515 61.6437 62.0073 62.2935 62.7102 63.0354 63.1596 63.3606 63.9716 64.0793 64.2135 64.5697 64.8017 64.9259 65.1484 65.8068 66.0082 66.2842 66.5725 67.0915 67.2945 67.4483 67.6597 67.9979 68.2285 68.2410 68.6706 68.8242 69.2259 69.3979 69.6645 69.8236 70.2506 70.7215 71.0501 71.1847 71.3551 71.6161 71.8864 72.2716 72.3510 72.6481 72.9632 73.3496 73.9288 74.0896 74.3946 74.5830 74.9210 75.1043 75.3640 75.4366 75.8709 75.9256 76.4031 76.5146 76.6583 77.0221 77.1084 77.2407 77.4398 77.9227 78.0599 78.3535 78.5408 78.7312 78.8814 78.9880 79.1886 79.3893 79.4628 79.5161 79.7616 79.9058 80.1037 80.2293 80.4431 80.7218 81.0397 81.2397 81.4060 81.5787 81.6379 81.7778 81.8134 81.9665 82.2313 82.3483 82.5606 82.6579 82.9566 83.0619 83.1719 83.3572 83.5365 83.7397 83.9059 84.0158 84.1168 84.2467 84.3046 84.4422 84.6444 84.9441 85.0844 85.1527 85.2025 85.4679 85.6599 85.8336 85.9857 86.1683 86.2798 86.5389 86.8638 86.8822 87.0426 87.1716 87.4831 87.6231 87.6846 87.8573 88.0404 88.2627 88.2831 88.4535 88.5242 88.6377 88.8807 89.0148 89.0643 89.2590 89.4286 89.7448 89.8442 89.9472 90.1194 90.4122 90.4629 90.5445 90.8096 90.8893 90.9922 91.4140 91.5388 91.5908 91.7912 91.8046 92.2844 92.5017 92.5523 92.6635 92.8846 93.0450 93.2844 93.3287 93.4068 93.5861 93.6402 93.7802 93.9242 94.0415 94.1866 94.3241 94.3895 94.5819 94.7601 94.9508 95.1408 95.3088 95.6013 95.7186 95.8922 96.1476 96.2414 96.3579 96.4597 96.7444 96.8126 96.9563 97.1499 97.2737 97.3971 97.6642 97.7952 97.9008 98.1347 98.2335 98.4077 98.5503 98.6680 99.0168 99.2613 99.4172 99.7060 99.9418 100.0666 100.3156 100.5783 100.8703 101.1789 101.3822 101.7513 102.1471 102.3375 102.4969 102.7147 102.9070 103.1823 103.6790 103.7248 103.8716 104.3886 104.4877 104.6375 104.8301 105.0160 105.0715 105.2318 105.4357 105.5364 105.6078 105.9460 105.9855 106.2774 106.3564 106.5082 106.7493 106.8489 107.0710 107.1173 107.3899 107.4563 107.7633 108.0094 108.1243 108.2507 108.4016 108.5727 108.7307 108.8723 109.2248 109.4519 109.5212 109.6031 109.6818 110.0007 110.1099 110.5941 110.8473 110.8817 111.0729 111.4903 111.6656 111.8972 112.0049 112.2337 112.5052 112.6301 112.7935 112.9364 113.0865 113.2879 113.3664 113.6945 113.8916 114.1169 114.3488 114.4599 114.5259 114.6195 114.7390 114.9266 115.3679 115.5239 115.9076 116.0125 116.1507 116.2773 116.4209 116.6970 116.8114 117.2367 117.3865 117.5533 117.8500 117.8932 118.0907 118.2441 118.4084 118.5263 118.6615 118.9091 119.0669 119.4291 119.5449 119.7806 119.9852 120.0744 120.2325 120.4219 120.6535 120.8627 121.1485 121.8093 121.9035 122.0697 122.4502 122.8193 123.0127 123.2176 123.9520 124.0847 124.6824 124.8682 125.1025 125.7736 125.9741 126.2347 126.3898 126.5105 126.8313 127.5842 127.7058 127.8525 128.2529 128.4078 128.7421 129.0368 129.2500 129.4359 129.8467 130.0341 130.5886 130.8316 130.9927 131.2438 131.6635 131.8799 132.1162 132.3324 132.4430 132.6061 132.8030 133.0753 133.4035 133.5509 133.8517 133.8920 134.5630 134.7677 135.1754 135.5649 136.1765 136.5024 136.5864 136.8862 137.0796 137.9475 138.0263 138.3567 139.1118 139.5179 139.7773 140.1717 141.1964 141.4629 141.6743 141.9570 142.4188 142.4394 142.8326 143.3898 143.6446 143.7500 144.7871 145.0716 145.4150 145.4680 145.9977 146.2637 146.2966 146.5055 146.9144 147.3016 147.6584 147.9772 148.1514 148.4309 148.5199 148.6953 149.0912 149.4785 149.6907 149.9120 150.1144 150.3829 151.1550 151.2917 151.6561 151.7477 152.1241 152.6747 153.0389 153.7486 154.1379 154.2341 154.2954 154.3935 155.1058 155.3610 155.8424 156.3700 157.1773 157.6228 158.1144 158.5883 158.8150 159.5996 159.7994 160.0981 160.8943 161.9470 163.6887 164.1221 164.4268 165.4941 166.5662 167.4151 168.5708 169.0054 171.0810 171.6341 172.7297 174.4816 178.0088 178.1384 179.3501 181.0061 181.3531 183.6560 185.3774 186.6784 187.7851 188.8366 188.8719 188.8892 189.0525 189.2899 189.3747 189.5109 189.5488 189.8270 190.0788 190.3454 192.6754 193.0687 193.6362 193.8203 194.3599 195.1717 195.5381 197.0476 197.2760 199.3911 203.3812 203.6558 204.0293 204.7612 207.3474 208.1762 209.8679 210.3463 228.3609 228.8444 229.6781 233.2801 234.0281 235.8874 239.4442 241.5112 241.9086 244.5896 246.2526 247.5154 248.1236 250.9855 251.7667 613.2340 622.1180 626.2373 632.0850 632.4716 633.0105 633.8212 634.9630 635.5994 636.1239 636.3191 637.8762 645.6747 645.7649 648.1239 656.9036 658.1102 904.9632 1200.1021 1216.6209 1559.3274 1561.7610 1564.3641 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 F F F O O N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H -0.151425 -0.170053 -0.176591 -0.296364 -0.359332 -0.151929 0.125303 0.027519 0.192842 0.292954 -0.171003 -0.253682 0.370390 -0.238423 -0.247271 -0.204158 -0.211624 -0.206237 -0.046654 -0.136438 0.524267 -0.104928 -0.142470 0.052750 0.086920 0.143362 0.078439 0.093905 0.086039 0.094818 0.087225 0.084785 0.151792 0.109512 0.138291 0.133661 0.123750 0.135058 0.135000 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 F F F O O N C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H 9.1514 9.1701 9.1766 8.2964 8.3593 7.1519 5.8747 5.9725 5.8072 5.7070 6.1710 6.2537 5.6296 6.2384 6.2473 6.2042 6.2116 6.2062 6.0467 6.1364 5.4757 6.1049 6.1425 0.9472 0.9131 0.8566 0.9216 0.9061 0.9140 0.9052 0.9128 0.9152 0.8482 0.8905 0.8617 0.8663 0.8763 0.8649 0.8650 9.0000 9.0000 9.0000 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 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 -0.1514 -0.1701 -0.1766 -0.2964 -0.3593 -0.1519 0.1253 0.0275 0.1928 0.2930 -0.1710 -0.2537 0.3704 -0.2384 -0.2473 -0.2042 -0.2116 -0.2062 -0.0467 -0.1364 0.5243 -0.1049 -0.1425 0.0528 0.0869 0.1434 0.0784 0.0939 0.0860 0.0948 0.0872 0.0848 0.1518 0.1095 0.1383 0.1337 0.1237 0.1351 0.1350 1.1545 1.1321 1.1238 2.1144 2.1425 3.2453 3.8795 3.7080 3.8984 3.9862 3.9091 4.0865 4.0068 3.9344 3.8965 4.0228 3.8879 4.0196 3.8940 4.0056 4.4781 3.9709 3.9764 0.9992 1.0353 1.0276 1.0072 1.0108 1.0104 1.0092 1.0099 1.0098 1.0367 1.0139 1.0116 1.0137 1.0028 0.9987 0.9997 1.1545 1.1321 1.1238 2.1144 2.1425 3.2453 3.8795 3.7080 3.8984 3.9862 3.9091 4.0865 4.0068 3.9344 3.8965 4.0228 3.8879 4.0196 3.8940 4.0056 4.4781 3.9709 3.9764 0.9992 1.0353 1.0276 1.0072 1.0108 1.0104 1.0092 1.0099 1.0098 1.0367 1.0139 1.0116 1.0137 1.0028 0.9987 0.9997 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 1.1622 1.1195 1.1310 0.9032 1.1042 1.9912 1.0342 1.1658 0.9791 0.9611 0.9576 0.9971 1.3652 0.8684 1.4253 1.4020 1.4035 1.5016 1.2995 1.4289 1.0210 0.9320 0.9879 0.9941 0.9907 0.9851 0.9858 0.9879 1.4821 0.9398 1.4309 0.9783 1.4617 0.9504 1.4112 0.9568 0.9673 1.4464 0.9695 0.9709 0 20 1 20 2 20 3 6 3 9 4 12 5 8 5 12 5 25 6 13 6 14 6 23 7 10 7 12 7 17 8 11 8 15 9 11 9 16 10 18 10 20 11 24 13 26 13 27 13 28 14 29 14 30 14 31 15 19 15 32 16 19 16 33 17 21 17 34 18 22 18 35 19 36 21 22 21 37 22 38 -0.016588295 -1162.348019555250 46.36249 -45.67247 0.69002 13.86706 -12.69303 1.17403 9.37045 -8.01305 1.35740 1.92276 4.88726