Orca 5.0.2 RELEASE 1 2 3 4 5 14s9p3d1f 14s9p3d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s5p3d1f 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 S S P O O O O 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 1 1 2 3 3 3 3 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 5 303.2297609999998 AuxInfo=1/0/N:17,18,19,16,15,13,14,11,12,9,8,10,7,5,6,4,3,2,1/E:(2,3)(6,7)(8,9)(14,15)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.1,17.4,18.1/rA:36nSS1P4OOOO1CC3C3C3C3C3C3C3CCCCHHHHHHHHHHHHHHHHH/rB:;s1s2;;s3;s3;;s1;s8;s4s7s8;s9;s9;s11;s12;s13s14;s4;s16;s5;s6;s8;s11;s12;s13;s14;s15;s16;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:1.396,-.6011,.7198;1.6468,1.549,-1.9256;1.8108,1.3031,-.0234;-1.2926,-2.7966,-.9886;3.2718,1.5275,.6026;.934,2.26,.9032;-.1296,-3.0115,.919;-.0865,-.9321,-.2954;-1.2383,-.0132,.0271;-.4834,-2.3724,-.0309;-1.685,.1332,1.3367;-1.8664,.692,-.9909;-2.7499,.9713,1.6201;-2.9325,1.5338,-.7056;-3.3772,1.6742,.5993;-1.8728,-4.0993,-.8553;-3.0689,-4.0913,.0713;4.4113,.9681,-.04;.3077,3.4434,.4219;.1889,-.817,-1.3468;-1.184,-.3953,2.1382;-1.5108,.5939,-2.0083;-3.0888,1.0809,2.6418;-3.4113,2.0828,-1.5058;-4.2067,2.332,.8234;-2.1696,-4.3691,-1.8679;-1.1194,-4.8143,-.5204;-3.8121,-3.3626,-.2508;-3.5385,-5.0753,.0651;-2.7825,-3.867,1.0974;4.3645,-.1227,-.0561;5.2788,1.2774,.5375;4.5054,1.3331,-1.0634;-.496,3.671,1.1174;-.1101,3.2976,-.5739;1.0156,4.2728,.3963; 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 1124 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 168 Dim 860 ENuc 2033.0878660085 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 7.085e-06 Time for diagonalization 0.302 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.157 sec Total time needed 0.463 sec 16 16 15 8 8 8 8 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 1 303.2297609999998 AuxInfo=1/0/N:17,18,19,16,15,13,14,11,12,9,8,10,7,5,6,4,3,2,1/E:(2,3)(6,7)(8,9)(14,15)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.1,17.4,18.1/rA:36nSS1P4OOOO1CC3C3C3C3C3C3C3CCCCHHHHHHHHHHHHHHHHH/rB:;s1s2;;s3;s3;;s1;s8;s4s7s8;s9;s9;s11;s12;s13s14;s4;s16;s5;s6;s8;s11;s12;s13;s14;s15;s16;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:1.396,-.6011,.7198;1.6468,1.549,-1.9256;1.8108,1.3031,-.0234;-1.2926,-2.7966,-.9886;3.2718,1.5275,.6026;.934,2.26,.9032;-.1296,-3.0115,.919;-.0865,-.9321,-.2954;-1.2383,-.0132,.0271;-.4834,-2.3724,-.0309;-1.685,.1332,1.3367;-1.8664,.692,-.9909;-2.7499,.9713,1.6201;-2.9325,1.5338,-.7056;-3.3772,1.6742,.5993;-1.8728,-4.0993,-.8553;-3.0689,-4.0913,.0713;4.4113,.9681,-.04;.3077,3.4434,.4219;.1889,-.817,-1.3468;-1.184,-.3953,2.1382;-1.5108,.5939,-2.0083;-3.0888,1.0809,2.6418;-3.4113,2.0828,-1.5058;-4.2067,2.332,.8234;-2.1696,-4.3691,-1.8679;-1.1194,-4.8143,-.5204;-3.8121,-3.3626,-.2508;-3.5385,-5.0753,.0651;-2.7825,-3.867,1.0974;4.3645,-.1227,-.0561;5.2788,1.2774,.5375;4.5054,1.3331,-1.0634;-.496,3.671,1.1174;-.1101,3.2976,-.5739;1.0156,4.2728,.3963; 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 4 303.2297609999998 AuxInfo=1/0/N:17,18,19,16,15,13,14,11,12,9,8,10,7,5,6,4,3,2,1/E:(2,3)(6,7)(8,9)(14,15)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,12.3,13.1,17.4,18.1/rA:36nSS1P4OOOO1CC3C3C3C3C3C3C3CCCCHHHHHHHHHHHHHHHHH/rB:;s1s2;;s3;s3;;s1;s8;s4s7s8;s9;s9;s11;s12;s13s14;s4;s16;s5;s6;s8;s11;s12;s13;s14;s15;s16;s16;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:1.396,-.6011,.7198;1.6468,1.549,-1.9256;1.8108,1.3031,-.0234;-1.2926,-2.7966,-.9886;3.2718,1.5275,.6026;.934,2.26,.9032;-.1296,-3.0115,.919;-.0865,-.9321,-.2954;-1.2383,-.0132,.0271;-.4834,-2.3724,-.0309;-1.685,.1332,1.3367;-1.8664,.692,-.9909;-2.7499,.9713,1.6201;-2.9325,1.5338,-.7056;-3.3772,1.6742,.5993;-1.8728,-4.0993,-.8553;-3.0689,-4.0913,.0713;4.4113,.9681,-.04;.3077,3.4434,.4219;.1889,-.817,-1.3468;-1.184,-.3953,2.1382;-1.5108,.5939,-2.0083;-3.0888,1.0809,2.6418;-3.4113,2.0828,-1.5058;-4.2067,2.332,.8234;-2.1696,-4.3691,-1.8679;-1.1194,-4.8143,-.5204;-3.8121,-3.3626,-.2508;-3.5385,-5.0753,.0651;-2.7825,-3.867,1.0974;4.3645,-.1227,-.0561;5.2788,1.2774,.5375;4.5054,1.3331,-1.0634;-.496,3.671,1.1174;-.1101,3.2976,-.5739;1.0156,4.2728,.3963; -1906.34996023 2033.08786601 -3939.43782624 -6666.41058367 2726.97275743 -3807.37623611 1901.02627588 2.00280043 84.000211684568 84.000211684568 168.000423369137 -128.479656687253 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 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 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 -2420.7318 -2419.2541 -2102.9733 -524.8579 -524.4176 -524.3838 -523.2070 -283.5225 -281.4151 -281.2829 -281.1970 -281.1196 -280.3227 -279.9189 -279.9112 -279.8987 -279.8920 -279.8723 -279.6031 -219.2739 -217.8377 -184.2529 -163.5795 -163.5045 -163.3508 -162.1445 -161.9915 -161.9853 -133.9866 -133.9782 -133.9413 -33.8264 -32.6664 -31.6230 -31.3378 -27.1303 -25.8070 -24.5398 -24.0725 -23.7258 -23.1836 -22.3696 -22.1112 -21.9326 -20.7354 -19.7734 -19.3589 -18.4099 -18.0791 -17.4800 -17.0487 -16.9057 -16.4580 -16.1792 -15.8761 -15.8072 -15.5021 -15.4034 -15.2732 -15.0798 -14.8914 -14.4652 -14.4438 -14.2792 -13.7446 -13.6094 -13.2880 -13.1562 -12.8724 -12.5011 -12.2909 -12.1313 -12.0822 -11.9664 -11.6970 -11.3144 -11.2087 -10.8087 -10.6384 -9.9114 -9.5728 -9.1672 -9.1249 -8.9213 1.1499 1.5073 2.0232 2.4917 2.8730 3.1942 3.3564 3.5290 3.6525 3.7855 3.9786 4.2076 4.3098 4.4258 4.6001 4.8371 4.8771 5.0146 5.1187 5.2672 5.3092 5.4263 5.5642 5.6019 5.6600 5.6893 5.8297 5.9068 6.0786 6.4402 6.5599 6.9929 7.2128 7.3061 7.3815 7.6101 7.7551 7.9891 8.0209 8.1892 8.2466 8.3455 8.4300 8.6007 8.7326 8.9141 8.9985 9.2064 9.2294 9.4580 9.6859 9.8837 9.9374 10.1208 10.2070 10.3808 10.7026 10.8113 10.9057 11.0379 11.1370 11.3503 11.4287 11.5891 11.9064 12.0098 12.1797 12.3549 12.4126 12.4677 12.7571 12.8480 12.8572 13.0726 13.1691 13.2469 13.3132 13.4747 13.4939 13.7104 13.7860 13.8840 14.0054 14.0660 14.1423 14.2207 14.3672 14.3936 14.4532 14.6231 14.7823 15.0133 15.0823 15.2329 15.2837 15.4222 15.4714 15.6019 15.7750 15.8215 15.9607 16.1175 16.1501 16.3583 16.5363 16.7663 16.8282 16.9932 17.2115 17.2626 17.3715 17.7854 17.8661 18.1908 18.3113 18.6658 18.7189 19.0262 19.0983 19.1244 19.6417 19.7104 19.8546 20.1359 20.4781 20.5932 20.6817 20.8029 20.9147 21.1649 21.2417 21.4206 21.6342 21.6758 22.1541 22.3832 22.4525 22.7081 22.7791 23.1232 23.2804 23.4476 23.6030 23.7920 24.0284 24.1059 24.2484 24.3926 24.6447 24.7800 25.0745 25.2631 25.5240 25.7187 25.8519 25.9693 26.2272 26.4571 26.6056 26.6815 26.8516 27.0161 27.3080 27.5127 27.5873 27.7536 27.9009 28.0475 28.1914 28.3750 28.7355 28.8542 28.9904 29.2532 29.3692 29.5206 29.7899 29.9827 30.1791 30.3923 30.4772 30.6058 30.7244 31.0126 31.1682 31.3006 31.5259 31.6308 31.6575 32.0321 32.0859 32.3786 32.4314 32.5604 32.7390 32.8727 33.2802 33.3171 33.4913 33.6290 33.7945 34.0150 34.4179 34.6655 34.7147 34.7700 34.9902 35.1522 35.4722 35.6032 35.8735 36.0020 36.2937 36.5473 36.5989 37.0785 37.3310 37.6017 37.8117 38.1204 38.3004 38.3350 38.5345 38.8019 39.1395 39.2321 39.6723 39.6894 39.8915 39.9479 40.0302 40.1425 40.4608 40.6605 40.7870 40.8738 41.0036 41.0575 41.2027 41.3553 41.6304 41.6770 41.7679 42.0422 42.2500 42.3162 42.4157 42.5344 42.6385 42.9377 43.1721 43.2045 43.4222 43.5451 43.9153 43.9594 44.1700 44.2890 44.4610 44.5265 44.6316 44.8282 44.9719 45.0803 45.3606 45.4371 45.5293 45.7941 45.8914 45.9690 46.0664 46.3113 46.5342 46.8496 47.0756 47.2383 47.3386 47.5434 47.7346 48.0716 48.3317 48.5129 48.7226 48.9053 49.1799 49.4649 49.5365 49.7998 50.0381 50.1640 50.5751 50.7010 51.0961 51.3842 51.5440 51.6269 51.8369 52.2986 52.6787 52.7045 52.8888 53.2747 53.5326 54.1257 54.3371 54.4389 54.6947 54.8684 55.0334 55.2343 55.5334 55.6097 55.9257 56.1837 56.3305 56.5088 56.8636 57.0288 57.6091 57.7052 58.0468 58.2109 58.4417 58.7129 58.9425 59.2314 59.5635 59.8432 60.1344 60.4114 60.6428 60.7972 61.1797 61.3157 61.8319 61.9775 62.4467 62.6455 63.2108 63.5184 63.6888 64.0010 64.3722 64.6661 64.7475 65.1021 65.3704 65.6838 65.8199 66.2363 66.6365 66.9983 67.1825 67.3796 67.6092 67.7130 67.8021 68.3872 69.1648 69.5194 69.7741 70.0780 70.3283 70.6309 70.8302 71.3588 71.7303 72.1291 72.3093 72.5311 72.6094 72.8547 73.0361 73.3289 73.3382 73.7087 74.1341 74.2665 74.9541 75.3895 75.4902 75.8874 76.2811 76.3393 76.6171 76.7688 76.9496 77.5083 77.7208 77.8900 78.1687 78.3410 78.5686 78.6837 78.7666 78.9262 79.2307 79.3351 79.4660 79.6883 79.7046 80.0385 80.4221 80.7258 80.8440 81.0174 81.1434 81.5933 81.7226 81.7702 81.9600 82.1816 82.4247 82.4486 82.6296 82.8904 82.9405 83.6401 83.8770 83.9792 84.0436 84.1760 84.5370 84.7066 84.7860 85.0744 85.3246 85.3826 85.7100 85.7648 85.8149 86.0989 86.2055 86.3251 86.4969 86.5454 86.7638 86.8610 86.9641 87.2319 87.5183 87.7168 87.9760 88.3849 88.4745 88.7052 88.9165 89.1832 89.3627 89.5295 89.6619 89.9167 89.9256 90.1152 90.4116 90.6335 91.0370 91.4138 91.5702 92.0880 92.1779 92.2739 92.3630 92.7555 92.9345 93.1504 93.4374 93.5119 93.6999 93.9418 93.9863 94.1870 94.3037 94.3471 94.7231 94.8330 95.1903 95.6424 95.8847 96.1411 96.3880 96.4741 96.6753 96.9896 97.1826 97.2776 97.4940 97.6755 97.8994 98.0310 98.3573 98.7880 98.9342 99.2649 99.3712 99.6568 99.9191 100.0141 100.3952 100.4988 100.7072 100.8456 101.1217 101.3291 101.5473 101.7202 102.0092 102.1949 102.2667 102.4248 102.7699 102.9870 103.1115 103.1689 103.5743 103.9120 104.2695 104.9095 105.1936 105.4210 105.5210 105.7679 105.9122 106.0601 106.2971 106.4931 106.6302 106.8602 106.9752 107.0584 107.0799 107.1939 107.5807 107.8118 107.9303 108.0158 108.3913 108.7940 109.0335 109.4057 109.4901 110.1458 110.2025 110.7109 110.8539 111.0674 111.2104 111.6608 111.9038 111.9953 112.4291 112.7695 112.8563 113.0677 113.1862 113.4390 113.6983 113.9164 114.1317 114.2932 114.7125 114.9619 115.1309 115.2585 115.9171 116.0474 116.4058 116.5518 117.0454 117.1051 117.3442 117.5731 117.6746 117.9253 118.0692 118.2603 118.3248 118.5032 118.7255 118.8980 118.9765 119.3468 119.4969 119.9072 120.0402 120.3122 120.7357 120.8350 121.0969 121.4033 122.3597 122.5655 123.0459 123.9420 124.5185 124.5666 125.0332 125.5504 125.7789 126.0475 126.2626 126.4078 126.5111 126.9963 127.0796 127.2065 127.9189 128.1140 128.3827 129.1634 129.4124 129.7887 130.5023 130.6845 131.1051 132.2157 132.3477 132.7806 133.0988 133.1058 133.6373 134.0750 134.2159 134.3244 134.8473 135.6368 136.3418 136.5324 136.8727 136.8865 137.0893 137.2035 137.6588 137.7859 138.3447 138.6191 138.6404 139.0765 139.2621 139.3499 139.5532 140.0393 140.7293 141.1011 141.6003 142.5087 142.6947 142.9400 143.2910 143.7895 144.3425 144.6779 144.9106 145.0280 145.2206 145.6355 146.2568 146.6870 147.1113 147.2733 147.3460 147.6204 147.7245 148.0440 148.1742 148.3210 148.4998 148.7446 149.2253 150.0259 150.2999 150.5530 151.3350 151.4638 151.7945 152.0558 152.5204 152.5836 152.8481 153.3949 153.5216 154.0157 154.4916 154.5855 155.2143 155.4700 155.6700 155.7047 156.2950 156.8140 157.1849 158.2090 158.7240 159.1381 160.0448 161.7546 161.8016 162.1624 162.8725 163.5274 163.9278 166.0786 166.8525 167.4349 167.6778 168.3176 169.1203 169.1851 171.0366 171.3515 172.0039 173.4279 173.6731 174.9909 177.2237 179.6693 179.9941 180.6949 182.7332 183.0097 184.1318 184.7060 184.8257 185.2617 186.0907 187.4311 187.5800 188.0555 188.4407 188.8180 189.2834 189.7101 190.1044 190.6914 190.7991 191.3553 192.3686 193.0288 193.3019 195.0695 195.7056 196.6140 197.2614 198.5315 200.3080 201.0255 204.0454 206.2828 211.3944 219.1222 231.3178 247.2889 248.3036 249.0795 257.2551 258.9676 262.0582 432.1686 522.1847 533.3968 622.0886 629.7178 633.0453 635.0012 636.4208 637.2265 638.0011 642.1255 642.3602 644.3419 646.3207 659.1309 1199.0846 1200.8483 1201.8126 1209.7053 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 S S P O O O O 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 -0.114633 -0.415075 0.637418 -0.260746 -0.328002 -0.301198 -0.345228 0.064733 0.032452 0.317357 -0.126855 -0.187802 -0.131795 -0.114318 -0.137329 0.017437 -0.248253 -0.122458 -0.123149 0.119951 0.126283 0.109784 0.128098 0.127599 0.127793 0.099233 0.091392 0.088711 0.084932 0.099003 0.103550 0.117358 0.112424 0.115688 0.105379 0.130267 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 S S P O O O O 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 16.1146 16.4151 14.3626 8.2607 8.3280 8.3012 8.3452 5.9353 5.9675 5.6826 6.1269 6.1878 6.1318 6.1143 6.1373 5.9826 6.2483 6.1225 6.1231 0.8800 0.8737 0.8902 0.8719 0.8724 0.8722 0.9008 0.9086 0.9113 0.9151 0.9010 0.8965 0.8826 0.8876 0.8843 0.8946 0.8697 16.0000 16.0000 15.0000 8.0000 8.0000 8.0000 8.0000 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 -0.1146 -0.4151 0.6374 -0.2607 -0.3280 -0.3012 -0.3452 0.0647 0.0325 0.3174 -0.1269 -0.1878 -0.1318 -0.1143 -0.1373 0.0174 -0.2483 -0.1225 -0.1231 0.1200 0.1263 0.1098 0.1281 0.1276 0.1278 0.0992 0.0914 0.0887 0.0849 0.0990 0.1035 0.1174 0.1124 0.1157 0.1054 0.1303 2.3561 2.0314 5.4165 2.1600 2.1197 2.1094 2.1445 3.8753 3.4241 4.2764 3.9665 4.0093 3.9601 3.9334 3.9474 3.8850 3.9141 3.8761 3.8529 1.0613 1.0234 1.0232 1.0005 1.0002 0.9992 0.9948 1.0087 1.0045 1.0104 1.0115 0.9945 0.9915 1.0031 0.9882 1.0051 0.9939 2.3561 2.0314 5.4165 2.1600 2.1197 2.1094 2.1445 3.8753 3.4241 4.2764 3.9665 4.0093 3.9601 3.9334 3.9474 3.8850 3.9141 3.8761 3.8529 1.0613 1.0234 1.0232 1.0005 1.0002 0.9992 0.9948 1.0087 1.0045 1.0104 1.0115 0.9945 0.9915 1.0031 0.9882 1.0051 0.9939 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 1.1374 1.0299 1.8014 1.1668 1.1897 1.2149 0.8813 0.8966 0.8789 1.9922 0.8590 0.9651 1.0086 1.3325 1.3277 1.4694 0.9723 1.4547 0.9926 1.4158 0.9794 1.4264 0.9825 0.9789 0.9555 0.9853 0.9957 0.9870 0.9846 0.9878 0.9721 0.9796 0.9784 0.9807 0.9683 0.9821 0 2 0 7 1 2 2 4 2 5 3 9 3 15 4 17 5 18 6 9 7 8 7 9 7 19 8 10 8 11 10 12 10 20 11 13 11 21 12 14 12 22 13 14 13 23 14 24 15 16 15 25 15 26 16 27 16 28 16 29 17 30 17 31 17 32 18 33 18 34 18 35 -0.019551649 -1906.369511877335 -13.47144 12.68454 -0.78690 -4.41347 4.48314 0.06966 -0.14091 -0.03099 -0.17190 0.80846 2.05494